smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC1CCN(c2ccncc2F)CC1)[C@@H]1CCOC1 ZINC000952970763 721529362 /nfs/dbraw/zinc/52/93/62/721529362.db2.gz TTXSJIXTDZQMFG-CYBMUJFWSA-N 1 0 307.369 1.590 50 0 DDAARO CC(C)C[N@@H+]1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO ZINC000952976921 721530931 /nfs/dbraw/zinc/53/09/31/721530931.db2.gz YFZZCPMVXKHASF-QGZVFWFLSA-N 1 0 319.449 1.565 50 0 DDAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000952977721 721530951 /nfs/dbraw/zinc/53/09/51/721530951.db2.gz REBKFXLYXVVAEP-AWEZNQCLSA-N 1 0 310.442 1.112 50 0 DDAARO COCCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000952981944 721531511 /nfs/dbraw/zinc/53/15/11/721531511.db2.gz NCRDXCUSKQRSHQ-INIZCTEOSA-N 1 0 304.390 1.588 50 0 DDAARO CN(CC(=O)Nc1ccc2scnc2c1)C1CC[NH2+]CC1 ZINC000952991709 721533459 /nfs/dbraw/zinc/53/34/59/721533459.db2.gz RRCCMZDVLAWOAE-UHFFFAOYSA-N 1 0 304.419 1.919 50 0 DDAARO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000821285366 758153264 /nfs/dbraw/zinc/15/32/64/758153264.db2.gz IIDCOXATNFVVNX-WMZOPIPTSA-N 1 0 310.482 1.972 50 0 DDAARO C[NH+](C)[C@@H]1CCN(CC(=O)Nc2ccc3scnc3c2)C1 ZINC000828061950 759469454 /nfs/dbraw/zinc/46/94/54/759469454.db2.gz GYLYRVWFGJYJIJ-GFCCVEGCSA-N 1 0 304.419 1.871 50 0 DDAARO CC(C)C[N@H+](C1CN(C(=O)c2cc[nH]n2)C1)C1CCOCC1 ZINC000581794646 761712996 /nfs/dbraw/zinc/71/29/96/761712996.db2.gz KRLSKZZTKFZSPX-UHFFFAOYSA-N 1 0 306.410 1.371 50 0 DDAARO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000581821558 761720868 /nfs/dbraw/zinc/72/08/68/761720868.db2.gz GJUQPYWVDRUTEH-OAHLLOKOSA-N 1 0 321.465 1.720 50 0 DDAARO CC[N@H+](C)CCC(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219594150 771934469 /nfs/dbraw/zinc/93/44/69/771934469.db2.gz DWVFEUAVJKOWHZ-OAHLLOKOSA-N 1 0 317.433 1.518 50 0 DDAARO Cc1c(CNC[C@H](C)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000585085586 771934539 /nfs/dbraw/zinc/93/45/39/771934539.db2.gz PPTZOKCPRLUVND-AWEZNQCLSA-N 1 0 316.449 1.772 50 0 DDAARO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCS(C)(=O)=O ZINC000585125808 771957096 /nfs/dbraw/zinc/95/70/96/771957096.db2.gz GJZPLCQKXPHISU-OLZOCXBDSA-N 1 0 304.456 1.142 50 0 DDAARO Cc1ncn(CC2CC[NH+](C[C@H]3CCCOC3)CC2)c(=O)c1C ZINC000585632588 773686063 /nfs/dbraw/zinc/68/60/63/773686063.db2.gz VTHVDPNKWNHLEJ-QGZVFWFLSA-N 1 0 319.449 1.999 50 0 DDAARO CC(C)[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)C[C@H]1[NH+](C)C ZINC000095526809 185378092 /nfs/dbraw/zinc/37/80/92/185378092.db2.gz PDFRZPZIAOZROK-DLBZAZTESA-N 1 0 319.449 1.569 50 0 DDAARO Cc1nn(C)c2nc(N3CCC(OCC[NH+](C)C)CC3)sc12 ZINC000095527517 185378405 /nfs/dbraw/zinc/37/84/05/185378405.db2.gz QJMMDXBKPGHXMR-UHFFFAOYSA-N 1 0 323.466 1.885 50 0 DDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCC1CCCCC1 ZINC000078925043 185129876 /nfs/dbraw/zinc/12/98/76/185129876.db2.gz KLPSLYODPPGVGR-MRXNPFEDSA-N 1 0 310.486 1.892 50 0 DDAARO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)[C@H](C)C1 ZINC000079361177 185167106 /nfs/dbraw/zinc/16/71/06/185167106.db2.gz BRKLRYQWJKYTMW-OAGGEKHMSA-N 1 0 322.453 1.697 50 0 DDAARO Cc1cc(N2CCCN(C(=O)C3CCOCC3)CC2)cc[nH+]1 ZINC000082160409 185174225 /nfs/dbraw/zinc/17/42/25/185174225.db2.gz WCCFUEFIOVJJMQ-UHFFFAOYSA-N 1 0 303.406 1.855 50 0 DDAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCOCC1 ZINC000053548224 295679363 /nfs/dbraw/zinc/67/93/63/295679363.db2.gz PIHGTSLFKFNRDA-CYBMUJFWSA-N 1 0 309.435 1.927 50 0 DDAARO CC[C@H](NC(=O)Cc1cccc(OCC[NH3+])c1)c1ccnn1C ZINC000426550474 529483054 /nfs/dbraw/zinc/48/30/54/529483054.db2.gz OFFZHVIVCYCTHE-HNNXBMFYSA-N 1 0 316.405 1.568 50 0 DDAARO O=C(NC[C@H]1CCCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092853456 185346657 /nfs/dbraw/zinc/34/66/57/185346657.db2.gz KAMCEBDURGOHDZ-MRXNPFEDSA-N 1 0 318.421 1.776 50 0 DDAARO CCN1CC[C@]2(CN(C(=O)c3cc[nH]c3)CC[N@@H+]2C)CCC1=O ZINC000095392026 185351844 /nfs/dbraw/zinc/35/18/44/185351844.db2.gz JYWUBFHCXJXVKV-KRWDZBQOSA-N 1 0 318.421 1.174 50 0 DDAARO CCOC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2OC)CC1 ZINC000095396837 185353101 /nfs/dbraw/zinc/35/31/01/185353101.db2.gz FGRPGGYSDNDAOB-JKSUJKDBSA-N 1 0 322.449 1.771 50 0 DDAARO Cc1ncsc1C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095409810 185357057 /nfs/dbraw/zinc/35/70/57/185357057.db2.gz AIHMAIBJDULAOK-LBPRGKRZSA-N 1 0 317.480 1.555 50 0 DDAARO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc2ccccc2o1 ZINC000095433911 185364163 /nfs/dbraw/zinc/36/41/63/185364163.db2.gz QYMOLHBLKPGXHB-CQSZACIVSA-N 1 0 312.391 1.024 50 0 DDAARO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[N@H+](C)CC1 ZINC000095442121 185366624 /nfs/dbraw/zinc/36/66/24/185366624.db2.gz CQJINMPELDAENB-HNNXBMFYSA-N 1 0 318.421 1.000 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC000170048411 545647464 /nfs/dbraw/zinc/64/74/64/545647464.db2.gz CLGNEWQIAWILRS-OLZOCXBDSA-N 1 0 310.442 1.204 50 0 DDAARO O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000111795888 185637364 /nfs/dbraw/zinc/63/73/64/185637364.db2.gz BNZAQRAPHIBXPO-QWRGUYRKSA-N 1 0 308.344 1.992 50 0 DDAARO O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC000685941982 539565600 /nfs/dbraw/zinc/56/56/00/539565600.db2.gz KIKMAACZWCMYKB-RKDXNWHRSA-N 1 0 302.300 1.557 50 0 DDAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(CCc2noc3ccccc23)c1 ZINC000685942138 539566897 /nfs/dbraw/zinc/56/68/97/539566897.db2.gz GIQOVRPHWMJNAQ-XJKSGUPXSA-N 1 0 314.345 1.372 50 0 DDAARO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000083836870 192385721 /nfs/dbraw/zinc/38/57/21/192385721.db2.gz HXGQWZOTWCAGEX-OAHLLOKOSA-N 1 0 317.441 1.009 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 ZINC000072153583 191058040 /nfs/dbraw/zinc/05/80/40/191058040.db2.gz XCSRPEUACONZMF-KRWDZBQOSA-N 1 0 314.389 1.215 50 0 DDAARO O=C(NCCc1c[nH]cn1)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072155894 191059701 /nfs/dbraw/zinc/05/97/01/191059701.db2.gz VYFVMJLBVRNROK-OAHLLOKOSA-N 1 0 312.417 1.924 50 0 DDAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000164073648 186147679 /nfs/dbraw/zinc/14/76/79/186147679.db2.gz XRBCYQVTKOISDK-KRWDZBQOSA-N 1 0 319.449 1.204 50 0 DDAARO CCn1c(CC[NH3+])nnc1Sc1ncnc2sccc21 ZINC000072312238 191119719 /nfs/dbraw/zinc/11/97/19/191119719.db2.gz DTXQPGAMZDTDKD-UHFFFAOYSA-N 1 0 306.420 1.955 50 0 DDAARO NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000072319279 191120894 /nfs/dbraw/zinc/12/08/94/191120894.db2.gz UWJCXGCHBLFHMF-UONOGXRCSA-N 1 0 312.797 1.167 50 0 DDAARO Cc1noc(C)c1CCCNc1ncnc2c1CC[NH2+]CC2 ZINC000072435516 191165900 /nfs/dbraw/zinc/16/59/00/191165900.db2.gz VXPHQYHALFBVRF-UHFFFAOYSA-N 1 0 301.394 1.814 50 0 DDAARO Cc1cc(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)[nH]n1 ZINC000072473752 191178099 /nfs/dbraw/zinc/17/80/99/191178099.db2.gz BSLNQAFQDFMKRC-UHFFFAOYSA-N 1 0 313.405 1.850 50 0 DDAARO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125914 353349014 /nfs/dbraw/zinc/34/90/14/353349014.db2.gz CDDMAAIRJZHCHL-LBPRGKRZSA-N 1 0 315.373 1.847 50 0 DDAARO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](CCn3cncn3)C2)o1 ZINC000076047874 353393309 /nfs/dbraw/zinc/39/33/09/353393309.db2.gz BTGFCOVFGLHCBD-CQSZACIVSA-N 1 0 318.425 1.596 50 0 DDAARO Cc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)n1C ZINC000076092570 353398142 /nfs/dbraw/zinc/39/81/42/353398142.db2.gz VPDYUALFDVHARB-UHFFFAOYSA-N 1 0 319.449 1.985 50 0 DDAARO Cc1nnc(CN(C)[C@H]2CC[N@H+](CCc3ccncc3)C2)o1 ZINC000078891315 353537754 /nfs/dbraw/zinc/53/77/54/353537754.db2.gz RJVNSSPSSACFMY-HNNXBMFYSA-N 1 0 301.394 1.522 50 0 DDAARO COC[C@H](C)[NH+]1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000079015665 353546873 /nfs/dbraw/zinc/54/68/73/353546873.db2.gz UZZOARVRUIRKHP-AWEZNQCLSA-N 1 0 305.422 1.798 50 0 DDAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000084736263 353727522 /nfs/dbraw/zinc/72/75/22/353727522.db2.gz UPNOWVSLADGXLL-STQMWFEESA-N 1 0 314.455 1.338 50 0 DDAARO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 ZINC000136284530 354117298 /nfs/dbraw/zinc/11/72/98/354117298.db2.gz NAWCTXDTMIDZMO-VXGBXAGGSA-N 1 0 314.407 1.517 50 0 DDAARO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000004278238 181091457 /nfs/dbraw/zinc/09/14/57/181091457.db2.gz YKESGDAJVLVZAA-UHFFFAOYSA-N 1 0 301.434 1.992 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000195544802 354296613 /nfs/dbraw/zinc/29/66/13/354296613.db2.gz NBXJKFPIDZMLAM-HOTGVXAUSA-N 1 0 314.389 1.206 50 0 DDAARO Cc1cc(=NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH]n1C(C)C ZINC000584713866 354749838 /nfs/dbraw/zinc/74/98/38/354749838.db2.gz KBXWLAPRPVYVHA-AGUYFDCRSA-N 1 0 305.426 1.941 50 0 DDAARO COCC[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCCC2)CCO1 ZINC000584889137 354791373 /nfs/dbraw/zinc/79/13/73/354791373.db2.gz VABMOPORBCPPSL-HNNXBMFYSA-N 1 0 310.438 1.659 50 0 DDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CCCCO)CC1 ZINC000584898250 354798206 /nfs/dbraw/zinc/79/82/06/354798206.db2.gz UDDYLOOSWJSNHR-INIZCTEOSA-N 1 0 311.470 1.168 50 0 DDAARO CCCO[C@H](C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903679 354801655 /nfs/dbraw/zinc/80/16/55/354801655.db2.gz BCZIAHYDXDLHAK-CQSZACIVSA-N 1 0 306.410 1.728 50 0 DDAARO O=C(CN1CCCCC1=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584891349 354793661 /nfs/dbraw/zinc/79/36/61/354793661.db2.gz MUMYKRNYTJHRCO-UHFFFAOYSA-N 1 0 321.465 1.866 50 0 DDAARO CC(C)c1nc(C(=O)N2CC[NH2+]CC2)nn1-c1ccccc1F ZINC000236823896 202026850 /nfs/dbraw/zinc/02/68/50/202026850.db2.gz VOFKKKOIWUJELY-UHFFFAOYSA-N 1 0 317.368 1.575 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236822760 202027008 /nfs/dbraw/zinc/02/70/08/202027008.db2.gz LLCFCHLHQKFGMU-LBPRGKRZSA-N 1 0 310.419 1.304 50 0 DDAARO [NH3+]CCCCCC[NH2+][C@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000005257654 181223173 /nfs/dbraw/zinc/22/31/73/181223173.db2.gz DYRPSFNSKOIUPQ-CQSZACIVSA-N 1 0 307.394 1.577 50 0 DDAARO CCC(=CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)CC ZINC000236923885 202074206 /nfs/dbraw/zinc/07/42/06/202074206.db2.gz SZPWECWXDOHADE-HOTGVXAUSA-N 1 0 321.465 1.840 50 0 DDAARO Cc1nc(COc2ccccc2C(=O)N(C)[C@H]2CC[NH2+]C2)no1 ZINC000179107497 198984621 /nfs/dbraw/zinc/98/46/21/198984621.db2.gz SEDSNPRHHVMSNJ-LBPRGKRZSA-N 1 0 316.361 1.391 50 0 DDAARO [NH3+][C@H](CC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 ZINC000237842019 202367247 /nfs/dbraw/zinc/36/72/47/202367247.db2.gz YABKZXANQXLNGO-OWCLPIDISA-N 1 0 304.390 1.483 50 0 DDAARO Cc1cc(-c2noc(CCC(=O)N3CC[NH2+]CC3)n2)ccc1F ZINC000237885767 202379646 /nfs/dbraw/zinc/37/96/46/202379646.db2.gz OCTZCXHHDUZGFP-UHFFFAOYSA-N 1 0 318.352 1.549 50 0 DDAARO O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[NH2+]CC1 ZINC000237889085 202381150 /nfs/dbraw/zinc/38/11/50/202381150.db2.gz YNPQCFIEAJMJRZ-UHFFFAOYSA-N 1 0 314.389 1.490 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)CCOc2cccc(Br)c2)C1 ZINC000237920367 202392151 /nfs/dbraw/zinc/39/21/51/202392151.db2.gz SBQNWMBYRYWJNN-NSHDSACASA-N 1 0 313.195 1.778 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000157906896 283565309 /nfs/dbraw/zinc/56/53/09/283565309.db2.gz FFGKWUIFNXIIGP-CJNGLKHVSA-N 1 0 321.396 1.149 50 0 DDAARO CC(C)N(CC1CCC1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000193628832 201089349 /nfs/dbraw/zinc/08/93/49/201089349.db2.gz GMPPCBXCLBIZGD-HNNXBMFYSA-N 1 0 310.486 1.842 50 0 DDAARO Cn1c(Cn2cccn2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000091289396 193031324 /nfs/dbraw/zinc/03/13/24/193031324.db2.gz SXYUPEGPHXEJEA-UHFFFAOYSA-N 1 0 323.404 1.839 50 0 DDAARO COCC[C@@]1(CO)CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000091493699 193064173 /nfs/dbraw/zinc/06/41/73/193064173.db2.gz WRFOPCDPGLRJOA-KRWDZBQOSA-N 1 0 312.454 1.546 50 0 DDAARO OCC[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091663869 193086420 /nfs/dbraw/zinc/08/64/20/193086420.db2.gz SCZMEYJBBMIBAU-UHFFFAOYSA-N 1 0 316.409 1.030 50 0 DDAARO O=C1CCC2(CC[NH+](Cc3cccnc3)CC2)CN1CCCO ZINC000091625221 193080331 /nfs/dbraw/zinc/08/03/31/193080331.db2.gz VNJYVHOZHBMRGY-UHFFFAOYSA-N 1 0 317.433 1.669 50 0 DDAARO C[NH2+]CC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000091907873 193125065 /nfs/dbraw/zinc/12/50/65/193125065.db2.gz WOSDBTYBOHSCOY-ZDUSSCGKSA-N 1 0 319.453 1.952 50 0 DDAARO CCn1nc(C(C)C)cc1C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000092107861 193160221 /nfs/dbraw/zinc/16/02/21/193160221.db2.gz ALVNDBYQXJKWPB-AWEZNQCLSA-N 1 0 322.453 1.461 50 0 DDAARO Cc1cccc(=O)n1CCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000095367041 193433760 /nfs/dbraw/zinc/43/37/60/193433760.db2.gz UKDBMMWUPBOXCB-AWEZNQCLSA-N 1 0 301.394 1.306 50 0 DDAARO CCCNC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCCCC1 ZINC000017286199 182081161 /nfs/dbraw/zinc/08/11/61/182081161.db2.gz DDHIBXXGRAWTOF-UHFFFAOYSA-N 1 0 321.421 1.369 50 0 DDAARO O[C@@H](Cc1ccccc1)C1CC[NH+](CCn2cncn2)CC1 ZINC000019112969 182104750 /nfs/dbraw/zinc/10/47/50/182104750.db2.gz YWYMXTXPNKKDNN-KRWDZBQOSA-N 1 0 300.406 1.594 50 0 DDAARO CC[NH+]1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000019361270 182118408 /nfs/dbraw/zinc/11/84/08/182118408.db2.gz BUTVGCHSCQGEIQ-CQSZACIVSA-N 1 0 324.421 1.081 50 0 DDAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C(C)(C)C)C2=O)cc1 ZINC000019530809 182128509 /nfs/dbraw/zinc/12/85/09/182128509.db2.gz FQPZILMEBNGULO-CYBMUJFWSA-N 1 0 318.373 1.883 50 0 DDAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000019791866 182149865 /nfs/dbraw/zinc/14/98/65/182149865.db2.gz AFJZQAUFRDQTGO-CHWSQXEVSA-N 1 0 320.389 1.896 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000020473823 182221625 /nfs/dbraw/zinc/22/16/25/182221625.db2.gz RRPRDUGCQMLPNH-JTQLQIEISA-N 1 0 322.352 1.983 50 0 DDAARO CC(=O)Nc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020500461 182225370 /nfs/dbraw/zinc/22/53/70/182225370.db2.gz MZOLXRMTQIVKLD-SFHVURJKSA-N 1 0 319.449 1.922 50 0 DDAARO CCc1ccc(CCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020726225 182244409 /nfs/dbraw/zinc/24/44/09/182244409.db2.gz VPUDIZLWCCZGBE-UHFFFAOYSA-N 1 0 317.477 1.935 50 0 DDAARO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](C)[C@@H](CCO)C2)c1 ZINC000020913851 182253524 /nfs/dbraw/zinc/25/35/24/182253524.db2.gz 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305.426 1.534 50 0 DDAARO COc1ccc(C(=O)CSc2nc(N)cc(N)[nH+]2)cc1F ZINC000007045338 406747613 /nfs/dbraw/zinc/74/76/13/406747613.db2.gz COCVYCFLENGEGU-UHFFFAOYSA-N 1 0 308.338 1.764 50 0 DDAARO c1ncn(C[C@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000069630216 406749507 /nfs/dbraw/zinc/74/95/07/406749507.db2.gz DLUCTKXJPQWOHI-AWEZNQCLSA-N 1 0 314.389 1.962 50 0 DDAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000069739341 406765047 /nfs/dbraw/zinc/76/50/47/406765047.db2.gz JUUQRFHBBFIJLZ-DZGCQCFKSA-N 1 0 321.421 1.444 50 0 DDAARO CN(CC[N@H+](C)CCC(=O)N1CCOCC1)c1ccccc1 ZINC000069740675 406765297 /nfs/dbraw/zinc/76/52/97/406765297.db2.gz GBGXBPXEVRCCSU-UHFFFAOYSA-N 1 0 305.422 1.304 50 0 DDAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069741382 406766739 /nfs/dbraw/zinc/76/67/39/406766739.db2.gz MOYMQNDMLJAZGX-CQSZACIVSA-N 1 0 317.393 1.242 50 0 DDAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+](CCO)CCO)cc1 ZINC000003151867 406714441 /nfs/dbraw/zinc/71/44/41/406714441.db2.gz LUTMOSWXQHQGSH-OAHLLOKOSA-N 1 0 311.422 1.010 50 0 DDAARO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000003276833 406717683 /nfs/dbraw/zinc/71/76/83/406717683.db2.gz IKWFYPUTQSTJBY-ZDUSSCGKSA-N 1 0 319.449 1.780 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000003583451 406719418 /nfs/dbraw/zinc/71/94/18/406719418.db2.gz IUESDCGZFQIJJY-GFCCVEGCSA-N 1 0 307.369 1.755 50 0 DDAARO c1nc2n(n1)C[C@H]([NH2+]Cc1ccnc(-c3ccccc3)n1)CC2 ZINC000069491550 406723025 /nfs/dbraw/zinc/72/30/25/406723025.db2.gz DQMDLWDUPFGUTP-OAHLLOKOSA-N 1 0 306.373 1.840 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069490074 406723499 /nfs/dbraw/zinc/72/34/99/406723499.db2.gz UIXGMZUKYICFET-ZDUSSCGKSA-N 1 0 307.419 1.773 50 0 DDAARO C[C@H](C(=O)NCC1CCCCC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069846247 406781645 /nfs/dbraw/zinc/78/16/45/406781645.db2.gz KNKXESBZFYPCNI-GDBMZVCRSA-N 1 0 311.470 1.334 50 0 DDAARO c1csc(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000069814578 406775935 /nfs/dbraw/zinc/77/59/35/406775935.db2.gz KYQVRFYEKGGYFN-UHFFFAOYSA-N 1 0 314.418 1.551 50 0 DDAARO C[NH+](C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1 ZINC000069818943 406776178 /nfs/dbraw/zinc/77/61/78/406776178.db2.gz OOMPESBUZOZPST-ZDUSSCGKSA-N 1 0 319.434 1.363 50 0 DDAARO CC(C)[C@H](C(=O)NCCCn1ccccc1=O)[NH+]1CCCCC1 ZINC000069898947 406788653 /nfs/dbraw/zinc/78/86/53/406788653.db2.gz PCZYMLXCGFZOQH-QGZVFWFLSA-N 1 0 319.449 1.865 50 0 DDAARO CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000071589460 406840722 /nfs/dbraw/zinc/84/07/22/406840722.db2.gz FSMGQLXBASOZQJ-ZDUSSCGKSA-N 1 0 303.406 1.775 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 ZINC000071144587 406833648 /nfs/dbraw/zinc/83/36/48/406833648.db2.gz HQTWYPOMVHYQMA-JTQLQIEISA-N 1 0 302.371 1.064 50 0 DDAARO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)c1 ZINC000071818427 406846649 /nfs/dbraw/zinc/84/66/49/406846649.db2.gz JYDXULQXSPKPIZ-HNNXBMFYSA-N 1 0 301.390 1.090 50 0 DDAARO CCOc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000071867468 406856376 /nfs/dbraw/zinc/85/63/76/406856376.db2.gz XCCTWTZSNYWJPO-AWEZNQCLSA-N 1 0 305.422 1.451 50 0 DDAARO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc(C)ccc3O)C2)nn1 ZINC000071877210 406859394 /nfs/dbraw/zinc/85/93/94/406859394.db2.gz OUMHWEINAXRHRL-CQSZACIVSA-N 1 0 313.405 1.953 50 0 DDAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000071876863 406859773 /nfs/dbraw/zinc/85/97/73/406859773.db2.gz APFXFVVMAXHYED-TXCZRRACSA-N 1 0 322.453 1.027 50 0 DDAARO CC(C)C[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)N1CCOCC1 ZINC000071916676 406868201 /nfs/dbraw/zinc/86/82/01/406868201.db2.gz QWZONTGHZDPMMN-HZPDHXFCSA-N 1 0 311.470 1.334 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+]C[C@](C)(O)c1ccccc1)CC2 ZINC000072252957 406874942 /nfs/dbraw/zinc/87/49/42/406874942.db2.gz BIHPORKRAHVQSW-PBHICJAKSA-N 1 0 300.406 1.646 50 0 DDAARO O=C(CC(C1CC1)C1CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269426 406877582 /nfs/dbraw/zinc/87/75/82/406877582.db2.gz IVSBWUKCDHAMIA-IRXDYDNUSA-N 1 0 306.450 1.870 50 0 DDAARO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014971985 406877752 /nfs/dbraw/zinc/87/77/52/406877752.db2.gz DSQALZCZDVFDCX-CQSZACIVSA-N 1 0 300.366 1.474 50 0 DDAARO COCCN1CCC[C@@](O)(C[NH2+]C2CCCCCCC2)C1=O ZINC000015062536 406878547 /nfs/dbraw/zinc/87/85/47/406878547.db2.gz FNDMFQWQDVWLKE-QGZVFWFLSA-N 1 0 312.454 1.689 50 0 DDAARO [NH2+]=C1NC(Nc2ccccc2)=N[C@@]2(N1)c1ccccc1NC2=O ZINC000019319842 406885337 /nfs/dbraw/zinc/88/53/37/406885337.db2.gz QHFUKYFXDBWFQF-INIZCTEOSA-N 1 0 306.329 1.178 50 0 DDAARO c1cc(CN2CCN(c3ccccn3)CC2)n(-c2ncccn2)c1 ZINC000019853267 406885756 /nfs/dbraw/zinc/88/57/56/406885756.db2.gz UFUKNJLFCWFBLX-UHFFFAOYSA-N 1 0 320.400 1.985 50 0 DDAARO O=C(OC[C@@H](O)CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000019862119 406886102 /nfs/dbraw/zinc/88/61/02/406886102.db2.gz LUWUOVTWHSBTIT-KUNBBXKYSA-N 1 0 323.433 1.439 50 0 DDAARO COc1ccccc1O[C@H](C)C(=O)NCCCN1CCOCC1 ZINC000020567987 406887126 /nfs/dbraw/zinc/88/71/26/406887126.db2.gz GLNOOIAOEWLZSQ-CQSZACIVSA-N 1 0 322.405 1.301 50 0 DDAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2)cn1 ZINC000071797251 406844452 /nfs/dbraw/zinc/84/44/52/406844452.db2.gz BLBGYMHPSFCDNV-RDJZCZTQSA-N 1 0 301.390 1.997 50 0 DDAARO Cn1c2ccc(C[NH2+]CCOc3ccccn3)cc2n(C)c1=O ZINC000035287296 406970389 /nfs/dbraw/zinc/97/03/89/406970389.db2.gz GJPRVQOPPMJIBN-UHFFFAOYSA-N 1 0 312.373 1.441 50 0 DDAARO COS(=O)(=O)N[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000029786627 406927360 /nfs/dbraw/zinc/92/73/60/406927360.db2.gz YVWBLOGFTFHGMC-HUUCEWRRSA-N 1 0 306.387 1.909 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H]1[NH+](C)C ZINC000078894874 407047733 /nfs/dbraw/zinc/04/77/33/407047733.db2.gz GEUWDELPQNAHEA-GWCFXTLKSA-N 1 0 319.430 1.753 50 0 DDAARO O[C@]1(CN2CCC(Oc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000077380004 406987849 /nfs/dbraw/zinc/98/78/49/406987849.db2.gz CKSBFCPRMOOBRV-QGZVFWFLSA-N 1 0 308.397 1.783 50 0 DDAARO Cc1cc(N2CCCN(C(=O)c3ccc(N)nc3)CC2)cc[nH+]1 ZINC000077388304 406989344 /nfs/dbraw/zinc/98/93/44/406989344.db2.gz QUMPGBQGVAXAFI-UHFFFAOYSA-N 1 0 311.389 1.720 50 0 DDAARO CCCc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)no1 ZINC000077424360 406989792 /nfs/dbraw/zinc/98/97/92/406989792.db2.gz IHGHZQWZNLWZAL-QGZVFWFLSA-N 1 0 321.421 1.690 50 0 DDAARO O=C(Cc1c[nH]c2ccccc12)NCCCC[NH+]1CCOCC1 ZINC000048286112 407093591 /nfs/dbraw/zinc/09/35/91/407093591.db2.gz LGEXJUOTNCRLRB-UHFFFAOYSA-N 1 0 315.417 1.939 50 0 DDAARO O=C(Cc1noc2ccccc21)NCCCC[NH+]1CCOCC1 ZINC000048286607 407093861 /nfs/dbraw/zinc/09/38/61/407093861.db2.gz ZDSXWWDVFVBDSR-UHFFFAOYSA-N 1 0 317.389 1.599 50 0 DDAARO C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048313772 407095081 /nfs/dbraw/zinc/09/50/81/407095081.db2.gz LXMRKXXXZJFOCU-JSGCOSHPSA-N 1 0 321.450 1.935 50 0 DDAARO CCCS(=O)(=O)N1CCC(C[N@@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468275 407102470 /nfs/dbraw/zinc/10/24/70/407102470.db2.gz DFFCOTYBPRERSJ-AWEZNQCLSA-N 1 0 317.499 1.074 50 0 DDAARO CS(=O)(=O)CCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000079311587 407053125 /nfs/dbraw/zinc/05/31/25/407053125.db2.gz IEASLIRNUWSAGC-MRXNPFEDSA-N 1 0 311.447 1.793 50 0 DDAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000047905207 407083462 /nfs/dbraw/zinc/08/34/62/407083462.db2.gz OIBFERQRXJGXHV-NSHDSACASA-N 1 0 321.421 1.880 50 0 DDAARO CC(C)CNC(=O)[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000052731246 407156576 /nfs/dbraw/zinc/15/65/76/407156576.db2.gz NAMVGDKNCJWSKW-HOTGVXAUSA-N 1 0 317.433 1.697 50 0 DDAARO Cn1ncc2c1nc(C[N@@H+]1CCC[C@H]1Cc1ccccc1)[nH]c2=O ZINC000052827176 407157795 /nfs/dbraw/zinc/15/77/95/407157795.db2.gz MYQZDZVHYSDCBP-AWEZNQCLSA-N 1 0 323.400 1.864 50 0 DDAARO CN1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000053348623 407167576 /nfs/dbraw/zinc/16/75/76/407167576.db2.gz OICVXFMXDFRYBM-HNNXBMFYSA-N 1 0 303.406 1.103 50 0 DDAARO COCCN1CCC[C@@]2(CCN(c3cc[nH+]c(C)c3)C2)C1=O ZINC000091643758 407183340 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COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C(N)=O)CC1)CC2 ZINC000095973573 407219392 /nfs/dbraw/zinc/21/93/92/407219392.db2.gz PMMIUKMYYXHEJH-OAHLLOKOSA-N 1 0 303.406 1.685 50 0 DDAARO FC(F)(F)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)n2ncnc2n1 ZINC000058308288 407220104 /nfs/dbraw/zinc/22/01/04/407220104.db2.gz QESOXJIZPDFRBW-SECBINFHSA-N 1 0 312.299 1.428 50 0 DDAARO C/C=C/C=C\C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000096102394 407236859 /nfs/dbraw/zinc/23/68/59/407236859.db2.gz CBHBPRYNLKHJGR-PJNNUHLNSA-N 1 0 300.402 1.870 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000065170772 407240548 /nfs/dbraw/zinc/24/05/48/407240548.db2.gz OBPOSZOKMMBHBP-OAHLLOKOSA-N 1 0 322.449 1.789 50 0 DDAARO CNC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)C1 ZINC000065372392 407243378 /nfs/dbraw/zinc/24/33/78/407243378.db2.gz XHPVQNMZPHBYCD-CYBMUJFWSA-N 1 0 303.410 1.348 50 0 DDAARO CCC[N@@H+]1CCCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000096427994 407265117 /nfs/dbraw/zinc/26/51/17/407265117.db2.gz 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/nfs/dbraw/zinc/28/58/98/407285898.db2.gz AONMLPIZCAUXNN-LBPRGKRZSA-N 1 0 302.378 1.269 50 0 DDAARO CC[N@@H+]1CCO[C@H](CCNC(=O)c2cc(C(C)C)nn2C)C1 ZINC000067855495 407287146 /nfs/dbraw/zinc/28/71/46/407287146.db2.gz LTEULKRSRWAHAK-CYBMUJFWSA-N 1 0 308.426 1.384 50 0 DDAARO COCc1nc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000067878284 407288172 /nfs/dbraw/zinc/28/81/72/407288172.db2.gz KGRMJERZAZPVHN-CQSZACIVSA-N 1 0 302.378 1.580 50 0 DDAARO COc1ccc([C@@H](C)N(C)C(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000067947772 407291621 /nfs/dbraw/zinc/29/16/21/407291621.db2.gz SKRWVAWJHFQSEH-OAHLLOKOSA-N 1 0 319.449 1.852 50 0 DDAARO CN(CCn1cccn1)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097711853 407301965 /nfs/dbraw/zinc/30/19/65/407301965.db2.gz DLCZLTINNCFZDJ-HNNXBMFYSA-N 1 0 320.437 1.233 50 0 DDAARO CS(=O)(=O)C1(C[NH2+]Cc2cccc3c[nH]nc32)CCOCC1 ZINC000098018992 407304004 /nfs/dbraw/zinc/30/40/04/407304004.db2.gz GAXYXIOZWYEKPU-UHFFFAOYSA-N 1 0 323.418 1.246 50 0 DDAARO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2ccncc2)CC1 ZINC000098010005 407304048 /nfs/dbraw/zinc/30/40/48/407304048.db2.gz IEVWAICDCANVLB-FOSCPCJNSA-N 1 0 302.422 1.237 50 0 DDAARO CN(CCSCc1ccc(C[NH+](C)C)o1)/C(N)=C/[N+](=O)[O-] ZINC000100016808 407306953 /nfs/dbraw/zinc/30/69/53/407306953.db2.gz QMQAJVTVGIUPJS-UKTHLTGXSA-N 1 0 314.411 1.541 50 0 DDAARO CCCS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000124347335 407355158 /nfs/dbraw/zinc/35/51/58/407355158.db2.gz KCDLVHYJQDRLOY-GFCCVEGCSA-N 1 0 310.419 1.304 50 0 DDAARO CC(C)[NH2+]C1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000108369290 407385039 /nfs/dbraw/zinc/38/50/39/407385039.db2.gz ATNDWYCDJZEEFC-IRXDYDNUSA-N 1 0 323.481 1.619 50 0 DDAARO O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000215492570 407484680 /nfs/dbraw/zinc/48/46/80/407484680.db2.gz MUJAGNODQZBUGI-VXGBXAGGSA-N 1 0 302.296 1.087 50 0 DDAARO CC(C)N1C(=O)C2(CCCC2)[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000257189692 407488357 /nfs/dbraw/zinc/48/83/57/407488357.db2.gz JUFBDDXYHXHJMM-OAHLLOKOSA-N 1 0 321.465 1.768 50 0 DDAARO COc1ccccc1CCC(=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000215944146 407490970 /nfs/dbraw/zinc/49/09/70/407490970.db2.gz ZRKGTDHMVXNERU-HNNXBMFYSA-N 1 0 318.417 1.655 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000178605022 407506989 /nfs/dbraw/zinc/50/69/89/407506989.db2.gz IDKKYXWXCSVZFU-CQSZACIVSA-N 1 0 303.406 1.347 50 0 DDAARO CCc1ncnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1F ZINC000253416877 407443461 /nfs/dbraw/zinc/44/34/61/407443461.db2.gz GYEYRHXHUQIPLU-VIFPVBQESA-N 1 0 322.413 1.925 50 0 DDAARO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000253429247 407448385 /nfs/dbraw/zinc/44/83/85/407448385.db2.gz CHOGAJIGEVFZHR-RHSMWYFYSA-N 1 0 306.454 1.925 50 0 DDAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCOC3)cn2)CC1 ZINC000171027279 407576584 /nfs/dbraw/zinc/57/65/84/407576584.db2.gz LVITVQCLKWMVJR-CYBMUJFWSA-N 1 0 304.394 1.199 50 0 DDAARO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C[NH3+])C3CC3)cc2)co1 ZINC000225497420 407590089 /nfs/dbraw/zinc/59/00/89/407590089.db2.gz WYRMXLPXGVVBJM-AWEZNQCLSA-N 1 0 321.402 1.666 50 0 DDAARO Cc1occc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000225481376 407590980 /nfs/dbraw/zinc/59/09/80/407590980.db2.gz PVGPGGBXODHNMQ-DZGCQCFKSA-N 1 0 319.405 1.308 50 0 DDAARO COCC[NH2+]CCNC(=O)c1cccc(Br)c1C ZINC000152305701 407606663 /nfs/dbraw/zinc/60/66/63/407606663.db2.gz BHOINBOLDKUNLZ-UHFFFAOYSA-N 1 0 315.211 1.723 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2C)CC1 ZINC000229306407 407659645 /nfs/dbraw/zinc/65/96/45/407659645.db2.gz ZZTXCOGGUOJUJR-WMLDXEAASA-N 1 0 321.490 1.775 50 0 DDAARO C[C@@H]1[C@H](C)OCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000230308238 407685141 /nfs/dbraw/zinc/68/51/41/407685141.db2.gz KIKZHRACJSFHQR-HLLBOEOZSA-N 1 0 319.449 1.515 50 0 DDAARO Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179046695 407704406 /nfs/dbraw/zinc/70/44/06/407704406.db2.gz IXEBYMHMWQBDMM-CYBMUJFWSA-N 1 0 301.394 1.755 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2c(=O)[nH]1 ZINC000229384434 407662937 /nfs/dbraw/zinc/66/29/37/407662937.db2.gz OFGZGTXNZUSYEN-HOCLYGCPSA-N 1 0 311.385 1.885 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000229570740 407664726 /nfs/dbraw/zinc/66/47/26/407664726.db2.gz CIVVDJLPHPVMGK-GVDBMIGSSA-N 1 0 308.470 1.823 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(CS(C)(=O)=O)c2)C[C@@H](C)[NH2+]1 ZINC000153321639 407801976 /nfs/dbraw/zinc/80/19/76/407801976.db2.gz QHIIDSXNOLNDNY-VXGBXAGGSA-N 1 0 310.419 1.054 50 0 DDAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)Cc1cccc2cccnc21 ZINC000237967932 407857358 /nfs/dbraw/zinc/85/73/58/407857358.db2.gz FBXDGEQPBPQRNP-OAHLLOKOSA-N 1 0 319.430 1.878 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H](C)[NH2+]1 ZINC000153759270 407893575 /nfs/dbraw/zinc/89/35/75/407893575.db2.gz LDDLXTMAPGGHEF-RYUDHWBXSA-N 1 0 302.378 1.039 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@@H](C)[NH2+]1 ZINC000153777315 407902631 /nfs/dbraw/zinc/90/26/31/407902631.db2.gz XOFPSCQWUSKGDH-ZIAGYGMSSA-N 1 0 315.417 1.631 50 0 DDAARO O=S(=O)(c1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245242304 407950298 /nfs/dbraw/zinc/95/02/98/407950298.db2.gz ZHRLJUMNFSBJCG-NSHDSACASA-N 1 0 302.346 1.434 50 0 DDAARO Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)CCCc2cnn(C)c2)n1 ZINC000243892385 407922076 /nfs/dbraw/zinc/92/20/76/407922076.db2.gz AHJTWVZEYYIZTH-SHTZXODSSA-N 1 0 314.437 1.792 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C[C@@H](C)[NH2+]1 ZINC000153904926 407930549 /nfs/dbraw/zinc/93/05/49/407930549.db2.gz GRWDTMRVLOCQQQ-ZIAGYGMSSA-N 1 0 315.417 1.631 50 0 DDAARO O=C(C[NH+]1CCCCCC1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244723873 407935352 /nfs/dbraw/zinc/93/53/52/407935352.db2.gz MJCGUQZCHNNKSA-MPGHIAIKSA-N 1 0 317.433 1.886 50 0 DDAARO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCCC3)nc2C)C1 ZINC000189298650 408005970 /nfs/dbraw/zinc/00/59/70/408005970.db2.gz CFIWCWPQUYERHJ-GXTWGEPZSA-N 1 0 304.394 1.306 50 0 DDAARO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc2c(c1)CCCC2 ZINC000154333553 408020209 /nfs/dbraw/zinc/02/02/09/408020209.db2.gz FMSQOKISXOJTCP-LBPRGKRZSA-N 1 0 301.390 1.768 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000158522257 408344250 /nfs/dbraw/zinc/34/42/50/408344250.db2.gz SUGITUMCNANKGV-NSHDSACASA-N 1 0 316.810 1.063 50 0 DDAARO O[C@H](COc1ccccc1)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247732641 408506873 /nfs/dbraw/zinc/50/68/73/408506873.db2.gz HYWXHJQHKHJREM-HOTGVXAUSA-N 1 0 316.405 1.573 50 0 DDAARO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192129856 408549373 /nfs/dbraw/zinc/54/93/73/408549373.db2.gz OZINYQWLLXMOHR-RHSMWYFYSA-N 1 0 315.417 1.740 50 0 DDAARO CN1C(=O)C[C@H]([NH2+]CCC2OCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000192159293 408553291 /nfs/dbraw/zinc/55/32/91/408553291.db2.gz LGGNFMYGKVHSRU-BBRMVZONSA-N 1 0 324.808 1.964 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000248123059 408537420 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Cc1nc(C(F)(F)F)ncc1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426380428 419454656 /nfs/dbraw/zinc/45/46/56/419454656.db2.gz MXBSKAMGJKJVKP-PEGIJTEDSA-N 1 0 300.328 1.973 50 0 DDAARO CC[C@H](O)CSc1nnc(CC[NH3+])n1-c1ccc(OC)cc1 ZINC000426395180 419458119 /nfs/dbraw/zinc/45/81/19/419458119.db2.gz NHGVRLQZRGBPKY-LBPRGKRZSA-N 1 0 322.434 1.640 50 0 DDAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCn1cncn1 ZINC000426410756 419464414 /nfs/dbraw/zinc/46/44/14/419464414.db2.gz VBFPIHGMADQNHZ-LSDHHAIUSA-N 1 0 305.426 1.439 50 0 DDAARO Cn1c(SCC(=O)N2CCCCC2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426618130 419521072 /nfs/dbraw/zinc/52/10/72/419521072.db2.gz MCDCELBZFHPJMD-LBPRGKRZSA-N 1 0 323.466 1.387 50 0 DDAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCC1=CCCCC1 ZINC000426707364 419535783 /nfs/dbraw/zinc/53/57/83/419535783.db2.gz FZGZLYPASKOMOO-HNNXBMFYSA-N 1 0 302.422 1.967 50 0 DDAARO O=C(NCCN1CCNC1=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000426740560 419541911 /nfs/dbraw/zinc/54/19/11/419541911.db2.gz 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422308268 /nfs/dbraw/zinc/30/82/68/422308268.db2.gz ZBKQZVCQBXYHLO-GFCCVEGCSA-N 1 0 316.361 1.770 50 0 DDAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1(CO)CC1 ZINC000585113579 422305557 /nfs/dbraw/zinc/30/55/57/422305557.db2.gz AVANVIKJZOWVFR-GDBMZVCRSA-N 1 0 317.433 1.571 50 0 DDAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641707843 423894169 /nfs/dbraw/zinc/89/41/69/423894169.db2.gz QQYHJTABUHGZFD-UHFFFAOYSA-N 1 0 314.389 1.759 50 0 DDAARO COc1ccc2cc([C@@H]3CN(C(=O)C[NH3+])CCO3)ccc2c1 ZINC000071682234 274141324 /nfs/dbraw/zinc/14/13/24/274141324.db2.gz LORJWEUIBUTAGT-INIZCTEOSA-N 1 0 300.358 1.707 50 0 DDAARO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000044906963 274463116 /nfs/dbraw/zinc/46/31/16/274463116.db2.gz KDRHOQOHIKWSMB-GFCCVEGCSA-N 1 0 319.405 1.620 50 0 DDAARO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)c1cccs1 ZINC000107141671 277053620 /nfs/dbraw/zinc/05/36/20/277053620.db2.gz JYDCFIZVFQKLMT-MRVWCRGKSA-N 1 0 323.462 1.724 50 0 DDAARO COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1F ZINC000192959561 278011732 /nfs/dbraw/zinc/01/17/32/278011732.db2.gz YHGPKWMNAJCUHY-ZFWWWQNUSA-N 1 0 308.397 1.987 50 0 DDAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1C ZINC000000119197 278837011 /nfs/dbraw/zinc/83/70/11/278837011.db2.gz XBOKFDFJTOYGCM-HNNXBMFYSA-N 1 0 306.406 1.240 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000237510651 279079276 /nfs/dbraw/zinc/07/92/76/279079276.db2.gz CYKOXFNHJQBNBZ-KWQFWETISA-N 1 0 303.453 1.508 50 0 DDAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000048276381 279132962 /nfs/dbraw/zinc/13/29/62/279132962.db2.gz WQIYNBDNDZUDPP-LLVKDONJSA-N 1 0 324.450 1.055 50 0 DDAARO COc1cc2c(cc1OC)CN(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC000237408388 295039996 /nfs/dbraw/zinc/03/99/96/295039996.db2.gz IJMGOBRIJXHULF-QGZVFWFLSA-N 1 0 304.390 1.588 50 0 DDAARO NC(=O)[C@@H]1Cc2ccccc2CN1CCC[NH+]1CCCCC1 ZINC000084582106 295133066 /nfs/dbraw/zinc/13/30/66/295133066.db2.gz CYAVDWAGXSTHBE-KRWDZBQOSA-N 1 0 301.434 1.775 50 0 DDAARO C[NH+](C)CCCCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000552549627 303662385 /nfs/dbraw/zinc/66/23/85/303662385.db2.gz QROZAQBZFWFQBJ-HNNXBMFYSA-N 1 0 309.454 1.483 50 0 DDAARO CC(C)c1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)on1 ZINC000534578169 334288303 /nfs/dbraw/zinc/28/83/03/334288303.db2.gz SPDIDNPMFTVWAQ-KBPBESRZSA-N 1 0 307.394 1.781 50 0 DDAARO CCCCCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC000534645346 334306932 /nfs/dbraw/zinc/30/69/32/334306932.db2.gz MPJNAWKAWPHHRJ-HUUCEWRRSA-N 1 0 312.435 1.112 50 0 DDAARO Cc1ncccc1Oc1ncnc(N[C@@H]2C[NH2+]C[C@H]2O)c1C ZINC000534637092 334309669 /nfs/dbraw/zinc/30/96/69/334309669.db2.gz VKFYZKUFHKKYEP-VXGBXAGGSA-N 1 0 301.350 1.025 50 0 DDAARO CC[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1)OC ZINC000534666937 334319159 /nfs/dbraw/zinc/31/91/59/334319159.db2.gz DMMWMCMAZMFALA-CQSZACIVSA-N 1 0 306.410 1.647 50 0 DDAARO O=S(=O)(CC[NH2+]Cc1cccc2c[nH]nc21)NCC1CCC1 ZINC000084023567 483989320 /nfs/dbraw/zinc/98/93/20/483989320.db2.gz ZPFPAESQGCYNRH-UHFFFAOYSA-N 1 0 322.434 1.372 50 0 DDAARO COc1cc(CCO)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656257701 484051872 /nfs/dbraw/zinc/05/18/72/484051872.db2.gz KXMSTKNUYKJQRB-INIZCTEOSA-N 1 0 320.433 1.895 50 0 DDAARO Nc1nc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000670452514 484840703 /nfs/dbraw/zinc/84/07/03/484840703.db2.gz QCGNCGHPVUNWGH-UHFFFAOYSA-N 1 0 324.450 1.233 50 0 DDAARO COCc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncn1 ZINC000666378560 485191312 /nfs/dbraw/zinc/19/13/12/485191312.db2.gz DOOJKALQWZJDCP-LBPRGKRZSA-N 1 0 321.425 1.865 50 0 DDAARO COc1ccccc1-n1nccc1CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299740570 533936543 /nfs/dbraw/zinc/93/65/43/533936543.db2.gz ACOADEVRBMMIAH-WBVHZDCISA-N 1 0 314.389 1.054 50 0 DDAARO CC(C)C[C@@H](C[NH3+])C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000299739162 528293634 /nfs/dbraw/zinc/29/36/34/528293634.db2.gz LHWLSRIBXNEBLX-XJKSGUPXSA-N 1 0 308.426 1.115 50 0 DDAARO CCCS(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000299740218 528819448 /nfs/dbraw/zinc/81/94/48/528819448.db2.gz XCFDNJDHGSLCOW-LBPRGKRZSA-N 1 0 310.419 1.304 50 0 DDAARO COCC[NH2+]CC[C@H]1CCC(=O)N1CCc1ccccc1F ZINC000012191388 696048928 /nfs/dbraw/zinc/04/89/28/696048928.db2.gz RMQLBKBXSHBDFE-OAHLLOKOSA-N 1 0 308.397 1.985 50 0 DDAARO CC(C)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000014966159 696056523 /nfs/dbraw/zinc/05/65/23/696056523.db2.gz WLPKANLTDWEZRP-INIZCTEOSA-N 1 0 312.360 1.816 50 0 DDAARO O[C@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)C[C@@H]1N1CCOCC1 ZINC000020535485 696070985 /nfs/dbraw/zinc/07/09/85/696070985.db2.gz GVVFVUZMSHENEL-WRECPOHLSA-N 1 0 306.450 1.333 50 0 DDAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C(CO)CO)C2)cc1 ZINC000071315014 696391971 /nfs/dbraw/zinc/39/19/71/696391971.db2.gz NOWIBZMSTSEQKK-OAHLLOKOSA-N 1 0 315.417 1.918 50 0 DDAARO O=C1CCCN1CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000244564083 697821537 /nfs/dbraw/zinc/82/15/37/697821537.db2.gz CMENOEWABMGGHR-QGZVFWFLSA-N 1 0 303.406 1.449 50 0 DDAARO C[C@@H](CC(=O)NCCCOC1CC[NH+](C)CC1)n1ccnc1 ZINC000299760395 698599524 /nfs/dbraw/zinc/59/95/24/698599524.db2.gz QXOIGEUOUTTYBG-AWEZNQCLSA-N 1 0 308.426 1.451 50 0 DDAARO Cc1ncn(C)c1C(=O)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000299760476 698599530 /nfs/dbraw/zinc/59/95/30/698599530.db2.gz SZEPSLUWOCNLLT-CQSZACIVSA-N 1 0 320.437 1.037 50 0 DDAARO Cn1c(CSc2nnc(CC[NH3+])n2C)nc2ccccc21 ZINC000426477783 699155582 /nfs/dbraw/zinc/15/55/82/699155582.db2.gz VGVGEXYIIZJELB-UHFFFAOYSA-N 1 0 302.407 1.495 50 0 DDAARO CCCCNC(=O)[C@@H](C)[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000857706508 704614761 /nfs/dbraw/zinc/61/47/61/704614761.db2.gz XKHFTPLXXTVFGA-OAHLLOKOSA-N 1 0 319.449 1.756 50 0 DDAARO Cc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000864097528 706066533 /nfs/dbraw/zinc/06/65/33/706066533.db2.gz YFQLTEYBLDXZMM-HNNXBMFYSA-N 1 0 317.433 1.552 50 0 DDAARO CC[NH+]1CCN(CC(=O)NCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000830840150 706590359 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NS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000079311441 185164455 /nfs/dbraw/zinc/16/44/55/185164455.db2.gz MYDUWFAEUGNTDN-LBPRGKRZSA-N 1 0 316.398 1.205 50 0 DDAARO CSC[C@@H](C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000079312972 185164678 /nfs/dbraw/zinc/16/46/78/185164678.db2.gz LYUBUOPBZJVFCI-CYBMUJFWSA-N 1 0 301.500 1.375 50 0 DDAARO CCOC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000079354909 185166256 /nfs/dbraw/zinc/16/62/56/185166256.db2.gz UIXSVIHOOMUPEU-CQSZACIVSA-N 1 0 306.406 1.925 50 0 DDAARO CCO[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC000222719542 539265606 /nfs/dbraw/zinc/26/56/06/539265606.db2.gz KBTMLRVVHBKIBS-ROUUACIJSA-N 1 0 304.434 1.733 50 0 DDAARO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000090582503 185305074 /nfs/dbraw/zinc/30/50/74/185305074.db2.gz CXZOONVMFSPKLY-MNOVXSKESA-N 1 0 304.437 1.102 50 0 DDAARO CCCc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)no1 ZINC000082127978 192358795 /nfs/dbraw/zinc/35/87/95/192358795.db2.gz XDWYUXLCJHYADZ-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/56/46/96/539564696.db2.gz IPGMNRJBZXHERE-JKSUJKDBSA-N 1 0 302.378 1.482 50 0 DDAARO O=C(c1nc2ccccn2c1C[NH+]1CCCC1)N1CCOCC1 ZINC000071764939 191028099 /nfs/dbraw/zinc/02/80/99/191028099.db2.gz KWNPEMMUUYSVIR-UHFFFAOYSA-N 1 0 314.389 1.403 50 0 DDAARO OC[C@]1(O)CCC[N@H+](Cc2cncn2Cc2ccccc2)CC1 ZINC000072133813 191045351 /nfs/dbraw/zinc/04/53/51/191045351.db2.gz XHGMGZDATCBKST-SFHVURJKSA-N 1 0 315.417 1.641 50 0 DDAARO c1cncc(Cc2nnc3n2CC[N@@H+](C[C@H]2CCOC2)CC3)c1 ZINC000072145277 191051572 /nfs/dbraw/zinc/05/15/72/191051572.db2.gz PJYKZSNTZYBCNO-OAHLLOKOSA-N 1 0 313.405 1.159 50 0 DDAARO Cc1nn(C)c(C)c1CN(C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150519 191056428 /nfs/dbraw/zinc/05/64/28/191056428.db2.gz VNWYSNZUAOBPDW-UHFFFAOYSA-N 1 0 302.426 1.359 50 0 DDAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(CC(N)=O)C2)CC1 ZINC000072158192 191060637 /nfs/dbraw/zinc/06/06/37/191060637.db2.gz HKFMITUOXCLTGK-INIZCTEOSA-N 1 0 316.449 1.067 50 0 DDAARO CCCn1nccc1C(=O)N1CCC[C@H](N(C)CC[NH+](C)C)C1 ZINC000072163447 191063522 /nfs/dbraw/zinc/06/35/22/191063522.db2.gz FZFYZXIXBWQERP-HNNXBMFYSA-N 1 0 321.469 1.391 50 0 DDAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCn2cncc2C1 ZINC000072164633 191065128 /nfs/dbraw/zinc/06/51/28/191065128.db2.gz GLTJTNYYYHXWMI-INIZCTEOSA-N 1 0 310.401 1.715 50 0 DDAARO CCc1cc(N2CC[NH+](CCn3cccc3)CC2)n2nccc2n1 ZINC000072165014 191065228 /nfs/dbraw/zinc/06/52/28/191065228.db2.gz OFJJENZJNDGUPY-UHFFFAOYSA-N 1 0 324.432 1.915 50 0 DDAARO C[C@@H]1C[N@H+](CCCNS(=O)(=O)C2CCCCC2)CCCO1 ZINC000331415250 233388759 /nfs/dbraw/zinc/38/87/59/233388759.db2.gz GVTZUSDUUOLYLS-CQSZACIVSA-N 1 0 318.483 1.739 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC000084755285 192466012 /nfs/dbraw/zinc/46/60/12/192466012.db2.gz HGFCKDZOBDZKFP-OAHLLOKOSA-N 1 0 324.469 1.419 50 0 DDAARO CC[C@H]1CN(CCOc2ccccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000072279787 191101031 /nfs/dbraw/zinc/10/10/31/191101031.db2.gz HJXWAKMBWYYQMN-CVEARBPZSA-N 1 0 322.449 1.851 50 0 DDAARO CCCCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)no1 ZINC000072279794 191101952 /nfs/dbraw/zinc/10/19/52/191101952.db2.gz FYFPBJQMUNYTNZ-ZIAGYGMSSA-N 1 0 310.442 1.689 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000237456843 186292343 /nfs/dbraw/zinc/29/23/43/186292343.db2.gz JEDNAASZQUIHDT-QWRGUYRKSA-N 1 0 319.434 1.743 50 0 DDAARO COc1ccc(C[C@@H](C)[NH+]2CCN(CCO)CC2)cc1OC ZINC000023283524 352182838 /nfs/dbraw/zinc/18/28/38/352182838.db2.gz SAGCILVAXUSDJH-CQSZACIVSA-N 1 0 308.422 1.245 50 0 DDAARO CC(C)CN1C(=O)CC[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@H]21 ZINC000072428839 191161610 /nfs/dbraw/zinc/16/16/10/191161610.db2.gz AKUNACBLYITXKI-JKSUJKDBSA-N 1 0 304.438 1.889 50 0 DDAARO c1cn(CCc2cccnc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072440125 191167423 /nfs/dbraw/zinc/16/74/23/191167423.db2.gz XSTBVCQHSFSYLU-UHFFFAOYSA-N 1 0 308.389 1.878 50 0 DDAARO CN(Cc1ccc(-n2cccn2)cc1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000072473376 191175846 /nfs/dbraw/zinc/17/58/46/191175846.db2.gz TTZQYWRZOASZFG-HNNXBMFYSA-N 1 0 314.389 1.209 50 0 DDAARO C[N@@H+]1C[C@H](NC(=O)c2ccc(CCC(C)(C)O)cc2)C[C@H]1CO ZINC000072476930 191179350 /nfs/dbraw/zinc/17/93/50/191179350.db2.gz OKJFMWYJYGPJAP-CVEARBPZSA-N 1 0 320.433 1.185 50 0 DDAARO Nc1nc2c(c(N[C@H]3COC4(C3)CCCCC4)n1)CC[NH2+]CC2 ZINC000072478472 191179589 /nfs/dbraw/zinc/17/95/89/191179589.db2.gz QZGTWOQHNZCJMW-GFCCVEGCSA-N 1 0 317.437 1.651 50 0 DDAARO Cc1cc(C)c(CNC(=O)C2CC[NH+](CC(C)C)CC2)c(=O)[nH]1 ZINC000075126041 353349024 /nfs/dbraw/zinc/34/90/24/353349024.db2.gz HMEIPRZUCZFZBB-UHFFFAOYSA-N 1 0 319.449 1.976 50 0 DDAARO CCn1ncc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1C(F)(F)F ZINC000076051720 353393817 /nfs/dbraw/zinc/39/38/17/353393817.db2.gz PTZMFHWNLZKGSS-GXSJLCMTSA-N 1 0 318.343 1.944 50 0 DDAARO Cc1cc([C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)[nH]n1 ZINC000076059686 353395672 /nfs/dbraw/zinc/39/56/72/353395672.db2.gz PEMJJHDVUOGQRX-AWEZNQCLSA-N 1 0 306.410 1.146 50 0 DDAARO CCOc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000078788405 353532773 /nfs/dbraw/zinc/53/27/73/353532773.db2.gz KNIHIRWNRSKGEV-IRXDYDNUSA-N 1 0 318.417 1.757 50 0 DDAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2nccn2CC)cn1 ZINC000078880698 353536196 /nfs/dbraw/zinc/53/61/96/353536196.db2.gz BNZGWRQDYPJSRG-CZUORRHYSA-N 1 0 303.410 1.987 50 0 DDAARO CN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O ZINC000078899281 353539631 /nfs/dbraw/zinc/53/96/31/353539631.db2.gz FRCRIAKELOGGGH-BBRMVZONSA-N 1 0 302.378 1.234 50 0 DDAARO CCCC[NH+]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000095999599 353913664 /nfs/dbraw/zinc/91/36/64/353913664.db2.gz IIJIWUOCAZQYGZ-MRXNPFEDSA-N 1 0 319.453 1.333 50 0 DDAARO C[C@H](CCn1cncn1)[NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000110703948 353962832 /nfs/dbraw/zinc/96/28/32/353962832.db2.gz ILRLQKCBLGXCQD-YCPHGPKFSA-N 1 0 313.405 1.840 50 0 DDAARO CCn1cc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cn1 ZINC000194308091 354293080 /nfs/dbraw/zinc/29/30/80/354293080.db2.gz JAFHQQBSXYDUSC-ZDUSSCGKSA-N 1 0 321.425 1.620 50 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ZINC000012745065 406850621 /nfs/dbraw/zinc/85/06/21/406850621.db2.gz PQMJGKPIOFFRPF-IAGOWNOFSA-N 1 0 308.397 1.218 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccnc3)no2)C[C@H]1C ZINC000071877525 406860088 /nfs/dbraw/zinc/86/00/88/406860088.db2.gz FHRSGEPCHWFKKZ-CHWSQXEVSA-N 1 0 317.393 1.019 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)C(F)(F)F)c1 ZINC000071882216 406860570 /nfs/dbraw/zinc/86/05/70/406860570.db2.gz MOZLDSZDICJQNS-UWVGGRQHSA-N 1 0 313.345 1.665 50 0 DDAARO COc1ccc(Br)cc1CNCCC[NH2+]CCO ZINC000013732869 406868058 /nfs/dbraw/zinc/86/80/58/406868058.db2.gz GYZNFLRZSBXPGP-UHFFFAOYSA-N 1 0 317.227 1.519 50 0 DDAARO COc1ncc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)cn1 ZINC000072149448 406873676 /nfs/dbraw/zinc/87/36/76/406873676.db2.gz HILFPQDCBOQQEF-HNNXBMFYSA-N 1 0 306.366 1.292 50 0 DDAARO Cn1cnc2cc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cnc21 ZINC000072158746 406875203 /nfs/dbraw/zinc/87/52/03/406875203.db2.gz VFIZVBMDKWBXKD-CYBMUJFWSA-N 1 0 301.394 1.525 50 0 DDAARO O=C(Cc1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269280 406876363 /nfs/dbraw/zinc/87/63/63/406876363.db2.gz NSWLVPLACOTFJT-HZPDHXFCSA-N 1 0 322.836 1.940 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1C(C)C ZINC000019954096 406886811 /nfs/dbraw/zinc/88/68/11/406886811.db2.gz OMOQOUSGRHULBX-LXWWYSJOSA-N 1 0 319.493 1.998 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000027034217 406908042 /nfs/dbraw/zinc/90/80/42/406908042.db2.gz NMDMAUJZYNTZNA-NEPJUHHUSA-N 1 0 317.389 1.679 50 0 DDAARO Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(=O)[nH]1 ZINC000075117968 406922515 /nfs/dbraw/zinc/92/25/15/406922515.db2.gz OGXHFVXJSKZDHJ-LSDHHAIUSA-N 1 0 318.421 1.418 50 0 DDAARO O=C(Nc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000075134246 406924008 /nfs/dbraw/zinc/92/40/08/406924008.db2.gz GKVFIZCPJIQGAG-LBPRGKRZSA-N 1 0 319.380 1.897 50 0 DDAARO CC[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000030144144 406930442 /nfs/dbraw/zinc/93/04/42/406930442.db2.gz YJEWIDJXYMXDQQ-CYBMUJFWSA-N 1 0 312.435 1.835 50 0 DDAARO CCC[N@H+](CCO)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000030529617 406932391 /nfs/dbraw/zinc/93/23/91/406932391.db2.gz DIYQVBFMZAYQNO-OAHLLOKOSA-N 1 0 310.394 1.089 50 0 DDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000032065872 406944298 /nfs/dbraw/zinc/94/42/98/406944298.db2.gz NDIPVOSLWIXAGV-UHFFFAOYSA-N 1 0 324.428 1.629 50 0 DDAARO O=c1c2c(Cl)cccc2ncn1CC[N@H+]1CCC[C@H](O)C1 ZINC000032511668 406949536 /nfs/dbraw/zinc/94/95/36/406949536.db2.gz HRUKFJNQCKLSTO-NSHDSACASA-N 1 0 307.781 1.507 50 0 DDAARO CCOC[C@H](O)C[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000076020113 406950299 /nfs/dbraw/zinc/95/02/99/406950299.db2.gz KIIGSCWRMICHGY-FUHWJXTLSA-N 1 0 306.450 1.980 50 0 DDAARO CCOCCCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000076042381 406950865 /nfs/dbraw/zinc/95/08/65/406950865.db2.gz VANMTAUETRRESC-HNNXBMFYSA-N 1 0 312.454 1.953 50 0 DDAARO C[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H]1[NH+](C)C ZINC000076050639 406951773 /nfs/dbraw/zinc/95/17/73/406951773.db2.gz HOZVFPLPCGGVLJ-BXUZGUMPSA-N 1 0 319.434 1.410 50 0 DDAARO COCCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000076051642 406952197 /nfs/dbraw/zinc/95/21/97/406952197.db2.gz SNKNQCSTULRFEL-TZMCWYRMSA-N 1 0 307.394 1.129 50 0 DDAARO CC(C)N1C[C@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000036397832 406980711 /nfs/dbraw/zinc/98/07/11/406980711.db2.gz SWESXULUMGEAAI-ZIAGYGMSSA-N 1 0 323.462 1.724 50 0 DDAARO Cn1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1=O ZINC000042112589 407011927 /nfs/dbraw/zinc/01/19/27/407011927.db2.gz FVAUNXLDNMZIDX-UHFFFAOYSA-N 1 0 300.358 1.789 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1Cl ZINC000044556436 407026505 /nfs/dbraw/zinc/02/65/05/407026505.db2.gz RVTQHXCYRIDITR-JTQLQIEISA-N 1 0 318.826 1.851 50 0 DDAARO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC1CCCCC1 ZINC000044715303 407028503 /nfs/dbraw/zinc/02/85/03/407028503.db2.gz CKZKLDKBIQAWGR-DZGCQCFKSA-N 1 0 309.454 1.611 50 0 DDAARO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)n1cncn1 ZINC000044909723 407033084 /nfs/dbraw/zinc/03/30/84/407033084.db2.gz GSDSXXKMQBROOR-UONOGXRCSA-N 1 0 313.405 1.402 50 0 DDAARO Nc1cc(N)[nH+]c(SCCn2cc(Br)cn2)n1 ZINC000078874775 407047572 /nfs/dbraw/zinc/04/75/72/407047572.db2.gz GTOZZUCMGZSNHM-UHFFFAOYSA-N 1 0 315.200 1.392 50 0 DDAARO CC(C)[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077505491 406993384 /nfs/dbraw/zinc/99/33/84/406993384.db2.gz XZWFCMLECAXVPJ-UHFFFAOYSA-N 1 0 321.469 1.360 50 0 DDAARO c1ccc(CNc2ncc(CN3CC[C@H]4C[NH2+]C[C@H]43)cn2)cc1 ZINC000077505267 406993490 /nfs/dbraw/zinc/99/34/90/406993490.db2.gz RKYVLLALTGUJSI-DLBZAZTESA-N 1 0 309.417 1.882 50 0 DDAARO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCN1C(=O)CNC1=O ZINC000088562537 407121779 /nfs/dbraw/zinc/12/17/79/407121779.db2.gz TXQOOSTWSMBVBF-CQSZACIVSA-N 1 0 316.405 1.269 50 0 DDAARO CC[NH+](CC)CCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000047578196 407076432 /nfs/dbraw/zinc/07/64/32/407076432.db2.gz RLGZCLAVHVYWQD-UHFFFAOYSA-N 1 0 319.453 1.691 50 0 DDAARO CC[NH+]1CCC(NC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000047980512 407085293 /nfs/dbraw/zinc/08/52/93/407085293.db2.gz DADNUNALGGXDRH-UHFFFAOYSA-N 1 0 309.385 1.988 50 0 DDAARO Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)s1 ZINC000054838652 407190214 /nfs/dbraw/zinc/19/02/14/407190214.db2.gz CVQNUAVHCWJJPU-UHFFFAOYSA-N 1 0 317.418 1.700 50 0 DDAARO O=S(=O)(c1cccc2nsnc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000055056231 407193328 /nfs/dbraw/zinc/19/33/28/407193328.db2.gz ILXPDKSMWMDWNY-SNVBAGLBSA-N 1 0 324.431 1.160 50 0 DDAARO COCCOc1ncccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000053030834 407161932 /nfs/dbraw/zinc/16/19/32/407161932.db2.gz JQTBWAYMRVLHTO-CQSZACIVSA-N 1 0 321.421 1.711 50 0 DDAARO Cn1ncc(C(=O)NCC[NH+]2CCCCC2)c1C(F)(F)F ZINC000053212749 407165313 /nfs/dbraw/zinc/16/53/13/407165313.db2.gz XXICFFBMARWDOM-UHFFFAOYSA-N 1 0 304.316 1.655 50 0 DDAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc[n+]2[O-])C1 ZINC000054223011 407180166 /nfs/dbraw/zinc/18/01/66/407180166.db2.gz NLEPZGDLINVLAU-HOCLYGCPSA-N 1 0 311.385 1.885 50 0 DDAARO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055309392 407200161 /nfs/dbraw/zinc/20/01/61/407200161.db2.gz TVSKUXWCJQEYEM-LBPRGKRZSA-N 1 0 308.378 1.559 50 0 DDAARO COc1ncccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000095351216 407207956 /nfs/dbraw/zinc/20/79/56/407207956.db2.gz YNFOVZPUBXXJQL-AWEZNQCLSA-N 1 0 304.394 1.470 50 0 DDAARO CCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n1 ZINC000095360885 407209261 /nfs/dbraw/zinc/20/92/61/407209261.db2.gz QSEPNYLNQZYNOK-DZGCQCFKSA-N 1 0 320.437 1.707 50 0 DDAARO COCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000095369797 407210380 /nfs/dbraw/zinc/21/03/80/407210380.db2.gz NEFAEXBIISSIHW-JKSUJKDBSA-N 1 0 318.417 1.764 50 0 DDAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n(C)n1 ZINC000095386540 407213668 /nfs/dbraw/zinc/21/36/68/407213668.db2.gz MDWAGIAXCIDEFA-AWEZNQCLSA-N 1 0 304.438 1.999 50 0 DDAARO CC1CC[NH+](C[C@@H](O)COc2ccccc2CC(N)=O)CC1 ZINC000095439115 407214419 /nfs/dbraw/zinc/21/44/19/407214419.db2.gz MSDQZZFVPONQLT-OAHLLOKOSA-N 1 0 306.406 1.186 50 0 DDAARO CC1CC[NH+](CCc2nc3c([nH]2)C(=O)NCC(C)(C)C3)CC1 ZINC000095523578 407214434 /nfs/dbraw/zinc/21/44/34/407214434.db2.gz IUMAJETVTJPGDW-UHFFFAOYSA-N 1 0 304.438 1.996 50 0 DDAARO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000095972674 407219317 /nfs/dbraw/zinc/21/93/17/407219317.db2.gz BHGQYKIUBOFDJV-JTQLQIEISA-N 1 0 312.395 1.327 50 0 DDAARO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000095987893 407221214 /nfs/dbraw/zinc/22/12/14/407221214.db2.gz JIVDOSXSPLCHHY-MCIONIFRSA-N 1 0 318.483 1.451 50 0 DDAARO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899414 407262534 /nfs/dbraw/zinc/26/25/34/407262534.db2.gz OHRJCDLUGZCHCL-LBPRGKRZSA-N 1 0 319.361 1.180 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000065624500 407245661 /nfs/dbraw/zinc/24/56/61/407245661.db2.gz GOLDSPPYARHCHF-OAHLLOKOSA-N 1 0 317.437 1.294 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1NCc1ccncc1 ZINC000101694197 407314750 /nfs/dbraw/zinc/31/47/50/407314750.db2.gz PWFDLRMFNNJHFV-CYBMUJFWSA-N 1 0 314.389 1.186 50 0 DDAARO O[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000102864834 407328755 /nfs/dbraw/zinc/32/87/55/407328755.db2.gz BVYOZUUAYYUIAO-WDNDVIMCSA-N 1 0 323.400 1.634 50 0 DDAARO CCc1n[nH]c(=S)n1CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000096440901 407267007 /nfs/dbraw/zinc/26/70/07/407267007.db2.gz MYYOGHRDLBNAKU-LLVKDONJSA-N 1 0 311.455 1.494 50 0 DDAARO CCn1c(C[NH3+])nnc1Sc1ncc(Br)cn1 ZINC000096450081 407268117 /nfs/dbraw/zinc/26/81/17/407268117.db2.gz FKVFYZYPQNMACZ-UHFFFAOYSA-N 1 0 315.200 1.460 50 0 DDAARO CSC[C@](C)(O)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000096478078 407270507 /nfs/dbraw/zinc/27/05/07/407270507.db2.gz UYEDUWLAKRVDTF-MWLCHTKSSA-N 1 0 322.272 1.738 50 0 DDAARO CC(C)(C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1)N1CCOCC1 ZINC000067604999 407277509 /nfs/dbraw/zinc/27/75/09/407277509.db2.gz ROACFAYVYVSYEU-INIZCTEOSA-N 1 0 323.481 1.432 50 0 DDAARO NC(=O)N1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000097083938 407278949 /nfs/dbraw/zinc/27/89/49/407278949.db2.gz HVBDUPTUAHGIQH-UHFFFAOYSA-N 1 0 309.797 1.908 50 0 DDAARO C[C@H](CN1CCOCC1)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067676457 407279732 /nfs/dbraw/zinc/27/97/32/407279732.db2.gz VFXXVHXXMXPEPU-GFCCVEGCSA-N 1 0 319.434 1.410 50 0 DDAARO CCCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCCCCC2)C1 ZINC000067675466 407279825 /nfs/dbraw/zinc/27/98/25/407279825.db2.gz YIQLIRJVHHDEGM-OAHLLOKOSA-N 1 0 309.454 1.627 50 0 DDAARO COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000067692783 407280266 /nfs/dbraw/zinc/28/02/66/407280266.db2.gz FOODZDGZCQRORR-ZDUSSCGKSA-N 1 0 304.390 1.887 50 0 DDAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000097139244 407282500 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ZINC000097334213 407291542 /nfs/dbraw/zinc/29/15/42/407291542.db2.gz IEZOBTNUPOCOEH-UHFFFAOYSA-N 1 0 319.449 1.193 50 0 DDAARO Cn1cc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccccc3)C2)cn1 ZINC000098014376 407303724 /nfs/dbraw/zinc/30/37/24/407303724.db2.gz MPGUICMJDQXPJA-ZBFHGGJFSA-N 1 0 313.405 1.205 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000122735591 407309055 /nfs/dbraw/zinc/30/90/55/407309055.db2.gz SBJBRYHEKAYFAB-SSDOTTSWSA-N 1 0 323.187 1.310 50 0 DDAARO [NH3+]CCCOC1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000195537053 407463754 /nfs/dbraw/zinc/46/37/54/407463754.db2.gz HAWXRSQMPBVCSA-UHFFFAOYSA-N 1 0 312.360 1.864 50 0 DDAARO C[N@H+](CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)C1CC1 ZINC000195538815 407465991 /nfs/dbraw/zinc/46/59/91/407465991.db2.gz MBFANLYDDRMJBO-LSDHHAIUSA-N 1 0 321.421 1.971 50 0 DDAARO CCOc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)C3CC3)C2)c1 ZINC000257188629 407483056 /nfs/dbraw/zinc/48/30/56/407483056.db2.gz FXLISLUBPOYGMA-DOTOQJQBSA-N 1 0 318.417 1.404 50 0 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DQGMQBULBVGDKR-HOCLYGCPSA-N 1 0 302.374 1.749 50 0 DDAARO C/C=C\c1ccc(OCC(=O)N2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000429344687 420006625 /nfs/dbraw/zinc/00/66/25/420006625.db2.gz ADNWTOJTKJBETN-DSYXLKISSA-N 1 0 304.390 1.927 50 0 DDAARO CC[NH+]1CCC(CCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000550155568 421515370 /nfs/dbraw/zinc/51/53/70/421515370.db2.gz RSZZPRWRGGFUMC-UHFFFAOYSA-N 1 0 305.422 1.546 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000585118182 422307220 /nfs/dbraw/zinc/30/72/20/422307220.db2.gz FYZQNBUVKUYYHH-NWDGAFQWSA-N 1 0 300.399 1.853 50 0 DDAARO C[N@H+](CCc1ccccc1)CC(=O)NC1(CO)CCSCC1 ZINC000585121630 422308317 /nfs/dbraw/zinc/30/83/17/422308317.db2.gz UOSCODCVIWXPTP-UHFFFAOYSA-N 1 0 322.474 1.535 50 0 DDAARO Cc1ccc2ncc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991132 274786651 /nfs/dbraw/zinc/78/66/51/274786651.db2.gz LQPQVCWDVMIKRQ-HNNXBMFYSA-N 1 0 317.389 1.654 50 0 DDAARO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000095987355 275055433 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CC(C)(C)[NH2+]C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000012438059 696050432 /nfs/dbraw/zinc/05/04/32/696050432.db2.gz AJWNQYOYQBKXOU-SFHVURJKSA-N 1 0 304.434 1.971 50 0 DDAARO OCC[C@H]1C[N@@H+](C2CCOCC2)CCN1CCc1ccccc1 ZINC000020452958 696070880 /nfs/dbraw/zinc/07/08/80/696070880.db2.gz MLMUDCFJNVBRIM-IBGZPJMESA-N 1 0 318.461 1.777 50 0 DDAARO Cc1nc(NCC(=O)NC(C)(C)C)cc(C2CC[NH2+]CC2)n1 ZINC000067713757 696363381 /nfs/dbraw/zinc/36/33/81/696363381.db2.gz ARRKFOBIYQNEGY-UHFFFAOYSA-N 1 0 305.426 1.579 50 0 DDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(C(C)C)ccc1OC ZINC000067872939 696365049 /nfs/dbraw/zinc/36/50/49/696365049.db2.gz JXVWKKDFNLMJIQ-CVEARBPZSA-N 1 0 319.449 1.856 50 0 DDAARO COCC(=O)NC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000169788893 697346076 /nfs/dbraw/zinc/34/60/76/697346076.db2.gz HPFIKJHLBVUPPR-IAGOWNOFSA-N 1 0 319.449 1.201 50 0 DDAARO C[C@](O)(CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000172425852 697367475 /nfs/dbraw/zinc/36/74/75/697367475.db2.gz 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Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000584906830 771867490 /nfs/dbraw/zinc/86/74/90/771867490.db2.gz AGHZPXWSNCDDAG-QWHCGFSZSA-N 1 0 314.455 1.188 50 0 DDAARO CCC[C@H]1C[N@H+](CCO)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000219613623 771935505 /nfs/dbraw/zinc/93/55/05/771935505.db2.gz KGGPINTYMIHGAS-ZFWWWQNUSA-N 1 0 318.421 1.177 50 0 DDAARO O=C(NCc1ccccc1OCCO)N1CC[NH+]2CCC1CC2 ZINC000952845810 775569832 /nfs/dbraw/zinc/56/98/32/775569832.db2.gz YXGYJBSTBOTHEM-UHFFFAOYSA-N 1 0 319.405 1.047 50 0 DDAARO CN(C)c1ccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)nn1 ZINC000952854511 775582290 /nfs/dbraw/zinc/58/22/90/775582290.db2.gz CAQSJBBCEIEFOG-LSDHHAIUSA-N 1 0 322.478 1.682 50 0 DDAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000089948951 185270870 /nfs/dbraw/zinc/27/08/70/185270870.db2.gz ZPQHQDKSVZIFJN-MLGOLLRUSA-N 1 0 306.406 1.899 50 0 DDAARO C[NH+](C)[C@H]1CCCCN(C(=O)COCC(F)(F)C(F)F)C1 ZINC000082116409 192358160 /nfs/dbraw/zinc/35/81/60/192358160.db2.gz ZLFKOATYOGDTIF-JTQLQIEISA-N 1 0 314.323 1.846 50 0 DDAARO C[C@@H]1C[NH+](CC2CCN(Cc3cn(C)nn3)CC2)C[C@@H](C)O1 ZINC000095445418 185367243 /nfs/dbraw/zinc/36/72/43/185367243.db2.gz RNHWHVJEMWHHKJ-ZIAGYGMSSA-N 1 0 307.442 1.136 50 0 DDAARO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000097033468 185399595 /nfs/dbraw/zinc/39/95/95/185399595.db2.gz HNFMNZJUXKPHKY-VBNZEHGJSA-N 1 0 306.406 1.982 50 0 DDAARO C[C@H](CCc1cccc(F)c1)[NH+]1CCN([C@@H](C)C(N)=O)CC1 ZINC000097084405 185407543 /nfs/dbraw/zinc/40/75/43/185407543.db2.gz KMZXYNVIGVNEBZ-KGLIPLIRSA-N 1 0 307.413 1.638 50 0 DDAARO CCn1ncc(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087125 539556197 /nfs/dbraw/zinc/55/61/97/539556197.db2.gz POSCPHVBCZLHGK-PBHICJAKSA-N 1 0 314.437 1.693 50 0 DDAARO CC(=O)N[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000070039453 190852050 /nfs/dbraw/zinc/85/20/50/190852050.db2.gz JEYZSFWWHVNUFZ-DLBZAZTESA-N 1 0 321.465 1.768 50 0 DDAARO NC(=O)c1csc(N2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)n1 ZINC000071662915 191000393 /nfs/dbraw/zinc/00/03/93/191000393.db2.gz UVANKRWGARRLSP-CHWSQXEVSA-N 1 0 324.450 1.058 50 0 DDAARO c1cc(CN2CCN([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCO2 ZINC000071730312 191017140 /nfs/dbraw/zinc/01/71/40/191017140.db2.gz XIAHEIBEXFALRU-OAHLLOKOSA-N 1 0 303.406 1.285 50 0 DDAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000072140518 191048365 /nfs/dbraw/zinc/04/83/65/191048365.db2.gz FNOKAAQZMDVRQH-CXAGYDPISA-N 1 0 317.389 1.056 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCOc2ccccc2)C1 ZINC000072127202 191043769 /nfs/dbraw/zinc/04/37/69/191043769.db2.gz ZAKNQUGGJASVBP-QGZVFWFLSA-N 1 0 306.406 1.371 50 0 DDAARO Cc1ccc([C@@H]2CN(C(=O)CCO)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072156051 191058951 /nfs/dbraw/zinc/05/89/51/191058951.db2.gz VGSSIJLFVIFKDY-QXAKKESOSA-N 1 0 314.429 1.766 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072168079 191067280 /nfs/dbraw/zinc/06/72/80/191067280.db2.gz WWSJCPQFWCAMCR-HNNXBMFYSA-N 1 0 307.419 1.758 50 0 DDAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000072273097 191096022 /nfs/dbraw/zinc/09/60/22/191096022.db2.gz BITYSZRWZHESTJ-TZMCWYRMSA-N 1 0 303.362 1.366 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cccc(O)c2)CC1 ZINC000072286652 191106603 /nfs/dbraw/zinc/10/66/03/191106603.db2.gz HCRVUHFIGHYACR-INIZCTEOSA-N 1 0 306.406 1.144 50 0 DDAARO CC[NH+]1CCC(NC(=O)CNc2cccc(C(=O)OC)c2)CC1 ZINC000072314849 191120969 /nfs/dbraw/zinc/12/09/69/191120969.db2.gz SGRNGMZSDXBKBN-UHFFFAOYSA-N 1 0 319.405 1.486 50 0 DDAARO CCc1cc(NCCC[NH+]2CCN(C)CC2)n2nccc2n1 ZINC000072420146 191157188 /nfs/dbraw/zinc/15/71/88/191157188.db2.gz DBIGMKNYJHFCEI-UHFFFAOYSA-N 1 0 302.426 1.341 50 0 DDAARO CSc1nnc(CCN2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000023550119 352184546 /nfs/dbraw/zinc/18/45/46/352184546.db2.gz OPEFQEFEWBQIGX-UHFFFAOYSA-N 1 0 317.462 1.779 50 0 DDAARO c1cn2cc(CNc3ncnc4c3CC[NH2+]CC4)nc2s1 ZINC000072436143 191166618 /nfs/dbraw/zinc/16/66/18/191166618.db2.gz VKZWQGKAEYSYHW-UHFFFAOYSA-N 1 0 300.391 1.486 50 0 DDAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072440703 191168037 /nfs/dbraw/zinc/16/80/37/191168037.db2.gz IJMRUEQPWHUIPF-HNNXBMFYSA-N 1 0 319.453 1.237 50 0 DDAARO COc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269567 353195965 /nfs/dbraw/zinc/19/59/65/353195965.db2.gz WBZKATZINUIXEL-JKSUJKDBSA-N 1 0 318.417 1.295 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(COC)ncn1 ZINC000182074930 199383747 /nfs/dbraw/zinc/38/37/47/199383747.db2.gz UJFXYOQNIKIOMK-ZIAGYGMSSA-N 1 0 319.409 1.714 50 0 DDAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]CCO)C(=O)CCC1 ZINC000002502463 180928434 /nfs/dbraw/zinc/92/84/34/180928434.db2.gz BGCMDTGXQZMFEJ-CYBMUJFWSA-N 1 0 316.401 1.412 50 0 DDAARO C[N@H+](CCO)C1(CNC(=O)Nc2ccccn2)CCCCC1 ZINC000075139419 353350305 /nfs/dbraw/zinc/35/03/05/353350305.db2.gz NIEYRWLFEJSHIY-UHFFFAOYSA-N 1 0 306.410 1.830 50 0 DDAARO O=C(NCCNc1ncccn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000075134099 353350422 /nfs/dbraw/zinc/35/04/22/353350422.db2.gz VKGQWHMNSFFDQO-CYBMUJFWSA-N 1 0 318.425 1.205 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000078896154 353538921 /nfs/dbraw/zinc/53/89/21/353538921.db2.gz NWNGJFNBCGCLNE-KSSFIOAISA-N 1 0 319.424 1.810 50 0 DDAARO CN(C)C(=O)N1CCC(Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000097236804 353919070 /nfs/dbraw/zinc/91/90/70/353919070.db2.gz CIRNLNKSWQSSJN-UHFFFAOYSA-N 1 0 305.426 1.701 50 0 DDAARO Cc1nc(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)oc1C ZINC000107059403 353944170 /nfs/dbraw/zinc/94/41/70/353944170.db2.gz WQXQUGGQSHGXCV-WBMJQRKESA-N 1 0 320.393 1.444 50 0 DDAARO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)o1 ZINC000107354191 353944789 /nfs/dbraw/zinc/94/47/89/353944789.db2.gz LNLBJCUKRSRHHZ-HUUCEWRRSA-N 1 0 321.421 1.696 50 0 DDAARO C[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000110680347 353962002 /nfs/dbraw/zinc/96/20/02/353962002.db2.gz AIVYURAINBCRKO-QEJZJMRPSA-N 1 0 303.406 1.402 50 0 DDAARO CC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2OC)CC1 ZINC000004271819 181090660 /nfs/dbraw/zinc/09/06/60/181090660.db2.gz OIKZLSAHGFHMFS-UHFFFAOYSA-N 1 0 322.405 1.927 50 0 DDAARO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000195542827 354297039 /nfs/dbraw/zinc/29/70/39/354297039.db2.gz ZHQNIRXPAZVOLI-NSHDSACASA-N 1 0 300.353 1.696 50 0 DDAARO CC(=O)c1c(F)cccc1N(C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000195575276 354297998 /nfs/dbraw/zinc/29/79/98/354297998.db2.gz LUWDAUUDDDHAIQ-CQSZACIVSA-N 1 0 323.412 1.073 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C1Cc2ccccc2C1 ZINC000212517023 354310567 /nfs/dbraw/zinc/31/05/67/354310567.db2.gz OVLVOFDPSSNZKO-WBVHZDCISA-N 1 0 301.434 1.424 50 0 DDAARO COCC[N@@H+]1CC[C@H](C(=O)NCCc2nc3ccccc3o2)C1 ZINC000584897206 354797768 /nfs/dbraw/zinc/79/77/68/354797768.db2.gz QPPLHGFZZKOYIH-ZDUSSCGKSA-N 1 0 317.389 1.455 50 0 DDAARO C[C@@H]1C[C@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140911 354814664 /nfs/dbraw/zinc/81/46/64/354814664.db2.gz LEKZJCFTINEGJU-TZMCWYRMSA-N 1 0 322.453 1.948 50 0 DDAARO Cc1nc(CCN(C)C(=O)NC[C@H]2CCC[N@H+]2C(C)C)no1 ZINC000584891498 354793528 /nfs/dbraw/zinc/79/35/28/354793528.db2.gz QGMLSUGFRKJQIH-CYBMUJFWSA-N 1 0 309.414 1.435 50 0 DDAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000584891617 354793734 /nfs/dbraw/zinc/79/37/34/354793734.db2.gz QXNFFEJPGVASOR-HNNXBMFYSA-N 1 0 310.438 1.657 50 0 DDAARO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1 ZINC000004834452 181159291 /nfs/dbraw/zinc/15/92/91/181159291.db2.gz LUTPVOUCNBEQAC-HIFRSBDPSA-N 1 0 302.374 1.555 50 0 DDAARO CCN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000073514314 191322779 /nfs/dbraw/zinc/32/27/79/191322779.db2.gz OOWZKPXKTSGEDV-NVXWUHKLSA-N 1 0 323.481 1.620 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000237145137 202166261 /nfs/dbraw/zinc/16/62/61/202166261.db2.gz SAZZFDYPDOOOGS-AWEZNQCLSA-N 1 0 302.353 1.835 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000237165616 202173220 /nfs/dbraw/zinc/17/32/20/202173220.db2.gz GQOQEVUIQYAEDH-HOTGVXAUSA-N 1 0 317.433 1.609 50 0 DDAARO O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276644741 213019707 /nfs/dbraw/zinc/01/97/07/213019707.db2.gz NAWDEHAPDPSDHZ-MWLCHTKSSA-N 1 0 306.259 1.184 50 0 DDAARO Cc1cc(C(=O)N2CC[NH2+]CC2)nn1-c1ccccc1Cl ZINC000237698863 202332667 /nfs/dbraw/zinc/33/26/67/202332667.db2.gz GFUCVVHVOUGKPY-UHFFFAOYSA-N 1 0 304.781 1.880 50 0 DDAARO [NH3+]C1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000237845291 202368503 /nfs/dbraw/zinc/36/85/03/202368503.db2.gz ARJPGJSMXLPMRE-UHFFFAOYSA-N 1 0 305.353 1.516 50 0 DDAARO C[NH2+]Cc1nnc(S[C@@H](C(=O)OC)c2ccccc2)n1C ZINC000426722417 283611585 /nfs/dbraw/zinc/61/15/85/283611585.db2.gz JCMSANHVOQYALP-GFCCVEGCSA-N 1 0 306.391 1.541 50 0 DDAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](CC)CO)c(OC)c1 ZINC000006552536 181353237 /nfs/dbraw/zinc/35/32/37/181353237.db2.gz SSOTZYNVHANWFJ-UNCXAERMSA-N 1 0 309.406 1.829 50 0 DDAARO CCCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCCC2)[nH]n1 ZINC000091351114 193045048 /nfs/dbraw/zinc/04/50/48/193045048.db2.gz FEWUIAVHXQBRAH-CQSZACIVSA-N 1 0 308.426 1.329 50 0 DDAARO CCOCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1[nH]cnc1C)C2 ZINC000091409874 193052368 /nfs/dbraw/zinc/05/23/68/193052368.db2.gz BFWMMLVFKHZAJX-LSDHHAIUSA-N 1 0 320.437 1.568 50 0 DDAARO Cn1ccnc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091616725 193079481 /nfs/dbraw/zinc/07/94/81/193079481.db2.gz KXKTVMZGPHACCX-HZPDHXFCSA-N 1 0 306.454 1.336 50 0 DDAARO CCC[C@H]1C[N@H+](CCO)C[C@@H]1NC(=O)c1ccc(OC)cc1 ZINC000091650404 193084986 /nfs/dbraw/zinc/08/49/86/193084986.db2.gz LDZXWEUAAATYNZ-HOCLYGCPSA-N 1 0 306.406 1.518 50 0 DDAARO O=c1cc(C[NH2+]CCCn2cncn2)[nH]c2ccc(F)cc12 ZINC000091745480 193099949 /nfs/dbraw/zinc/09/99/49/193099949.db2.gz KUHIPCWYTNINKR-UHFFFAOYSA-N 1 0 301.325 1.439 50 0 DDAARO C[N@@H+]1CCc2[nH]nc(-c3ncnn3-c3ccc(F)c(F)c3)c2C1 ZINC000092061591 193149154 /nfs/dbraw/zinc/14/91/54/193149154.db2.gz BSXOOVHDXMUGSP-UHFFFAOYSA-N 1 0 316.315 1.924 50 0 DDAARO CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@H]1CO ZINC000092065696 193150984 /nfs/dbraw/zinc/15/09/84/193150984.db2.gz ZCTNUNRLJJWHPW-HUUCEWRRSA-N 1 0 308.397 1.387 50 0 DDAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(c2nc(C)cc(C)n2)C1 ZINC000092078795 193154929 /nfs/dbraw/zinc/15/49/29/193154929.db2.gz KUCCRWBHZNOCRI-HZPDHXFCSA-N 1 0 322.453 1.106 50 0 DDAARO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261983522 203167127 /nfs/dbraw/zinc/16/71/27/203167127.db2.gz ASAGZPWDOZODCB-JSGCOSHPSA-N 1 0 314.307 1.227 50 0 DDAARO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C[NH3+])cc1)CC2 ZINC000262344443 203268585 /nfs/dbraw/zinc/26/85/85/203268585.db2.gz XPFUQZKFIMGHIP-CVEARBPZSA-N 1 0 318.417 1.537 50 0 DDAARO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000093990117 193335358 /nfs/dbraw/zinc/33/53/58/193335358.db2.gz HISVCSOJQHCGRM-QEJZJMRPSA-N 1 0 303.406 1.404 50 0 DDAARO CCOC(=O)C1CC[NH+](C[C@H](O)COC2CCCCC2)CC1 ZINC000016579029 182050326 /nfs/dbraw/zinc/05/03/26/182050326.db2.gz KINGSRHOXYMOOO-HNNXBMFYSA-N 1 0 313.438 1.972 50 0 DDAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnc(NC(C)C)nc2)C1 ZINC000097553348 193732512 /nfs/dbraw/zinc/73/25/12/193732512.db2.gz UGKITENIQBGSRL-CQSZACIVSA-N 1 0 305.426 1.853 50 0 DDAARO C[NH+]1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000019973534 182172108 /nfs/dbraw/zinc/17/21/08/182172108.db2.gz DUFFZUGFZRJABX-INIZCTEOSA-N 1 0 300.402 1.827 50 0 DDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020269785 182201974 /nfs/dbraw/zinc/20/19/74/182201974.db2.gz ANDUKEHEVFLGCI-KRZKXXONSA-N 1 0 313.445 1.844 50 0 DDAARO CCn1ccnc1CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020450799 182218737 /nfs/dbraw/zinc/21/87/37/182218737.db2.gz LATNIGNSCQDDOK-INIZCTEOSA-N 1 0 308.470 1.818 50 0 DDAARO CC[NH+]1CCN(CC(=O)N2N=CC[C@@H]2c2ccccc2)CC1 ZINC000020504009 182225409 /nfs/dbraw/zinc/22/54/09/182225409.db2.gz GZANWKKCKFWEGF-MRXNPFEDSA-N 1 0 300.406 1.583 50 0 DDAARO COC(=O)CCNC(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000020532028 182227676 /nfs/dbraw/zinc/22/76/76/182227676.db2.gz UIYCFPWMSDJBOE-UHFFFAOYSA-N 1 0 311.426 1.457 50 0 DDAARO COc1ccccc1/C=C/C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020819251 182247941 /nfs/dbraw/zinc/24/79/41/182247941.db2.gz ITDRPBMGGIVVKT-CMDGGOBGSA-N 1 0 317.433 1.462 50 0 DDAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(CCOCCO)CC1 ZINC000022027665 182304797 /nfs/dbraw/zinc/30/47/97/182304797.db2.gz KPOKHFFEUVBRAG-KRWDZBQOSA-N 1 0 306.450 1.634 50 0 DDAARO OCC[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1F ZINC000022851341 182336734 /nfs/dbraw/zinc/33/67/34/182336734.db2.gz DHYMMZDRFODYOP-KRWDZBQOSA-N 1 0 322.424 1.873 50 0 DDAARO Cn1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000023373402 182357987 /nfs/dbraw/zinc/35/79/87/182357987.db2.gz KDTQKJXQHNBTQJ-KRWDZBQOSA-N 1 0 306.454 1.621 50 0 DDAARO COc1cc(OC)c(CN2CC[N@H+](C)[C@@H](CCO)C2)c(OC)c1 ZINC000023375567 182358068 /nfs/dbraw/zinc/35/80/68/182358068.db2.gz VCCUHMVQLJCCQQ-ZDUSSCGKSA-N 1 0 324.421 1.211 50 0 DDAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000023421541 182360741 /nfs/dbraw/zinc/36/07/41/182360741.db2.gz ICGBILIHJGJFCT-UHFFFAOYSA-N 1 0 305.403 1.555 50 0 DDAARO CC(C)C[C@H]1COCCN1Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000023619821 182364308 /nfs/dbraw/zinc/36/43/08/182364308.db2.gz BDKLNBYSXXFYHD-KRWDZBQOSA-N 1 0 321.469 1.525 50 0 DDAARO C[C@H]1C[NH+](CCCNc2ncnc3c2cnn3C)C[C@H](C)O1 ZINC000023619452 182364523 /nfs/dbraw/zinc/36/45/23/182364523.db2.gz XEKRMVCLWBRCAZ-RYUDHWBXSA-N 1 0 304.398 1.275 50 0 DDAARO C[NH+](C)CCCNC(=O)CCNC(=O)c1ccccc1Cl ZINC000035655433 182784299 /nfs/dbraw/zinc/78/42/99/182784299.db2.gz XADZYOHZZLSEQT-UHFFFAOYSA-N 1 0 311.813 1.528 50 0 DDAARO COCCc1noc(CN(C)Cc2ccc3c(c2)CCO3)n1 ZINC000151084102 248295112 /nfs/dbraw/zinc/29/51/12/248295112.db2.gz OJHNFLHJAIQYIJ-UHFFFAOYSA-N 1 0 303.362 1.825 50 0 DDAARO C[C@H](C(=O)N1CCN(CC(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000175097207 248391233 /nfs/dbraw/zinc/39/12/33/248391233.db2.gz FURYPVVTZFEPIP-CYBMUJFWSA-N 1 0 321.387 1.957 50 0 DDAARO Cn1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1=O ZINC000040498967 183082890 /nfs/dbraw/zinc/08/28/90/183082890.db2.gz QZMAIIZMAHKZTQ-CYBMUJFWSA-N 1 0 305.403 1.480 50 0 DDAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(Cc3ccccc3)CC2)C1 ZINC000041124065 183168979 /nfs/dbraw/zinc/16/89/79/183168979.db2.gz FSSYUZQZBIITDW-SFHVURJKSA-N 1 0 303.450 1.261 50 0 DDAARO O=C(CCn1cncn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363563 183186233 /nfs/dbraw/zinc/18/62/33/183186233.db2.gz DHRFUYWYGGEHBP-UHFFFAOYSA-N 1 0 319.434 1.464 50 0 DDAARO CC[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)[NH+]1CCCC1 ZINC000044936083 183461521 /nfs/dbraw/zinc/46/15/21/183461521.db2.gz AXRYGLVSHDCTNH-JTQLQIEISA-N 1 0 320.846 1.226 50 0 DDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(C)cc(OC)cc2C)C1 ZINC000053203139 183892697 /nfs/dbraw/zinc/89/26/97/183892697.db2.gz DZXATOCNNHBOJC-ZDUSSCGKSA-N 1 0 312.435 1.685 50 0 DDAARO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C(=O)NC(N)=O ZINC000056160076 184006086 /nfs/dbraw/zinc/00/60/86/184006086.db2.gz JOPZAPHMKFUFDL-LLVKDONJSA-N 1 0 307.369 1.811 50 0 DDAARO CSCCC(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000060549062 184151950 /nfs/dbraw/zinc/15/19/50/184151950.db2.gz NXNVXIWBWLASHS-UHFFFAOYSA-N 1 0 321.490 1.803 50 0 DDAARO C[C@H](CNC(=O)NCc1ccccc1Cn1cncn1)[NH+](C)C ZINC000065440781 184345176 /nfs/dbraw/zinc/34/51/76/184345176.db2.gz ARYCWHVQHPPRTA-CYBMUJFWSA-N 1 0 316.409 1.076 50 0 DDAARO C[NH+]1CCN(Cc2n[nH]c(=O)n2Cc2ccc(Cl)cc2)CC1 ZINC000065451432 184347009 /nfs/dbraw/zinc/34/70/09/184347009.db2.gz CKXSVDPKSFFRBD-UHFFFAOYSA-N 1 0 321.812 1.021 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC000065403837 184337469 /nfs/dbraw/zinc/33/74/69/184337469.db2.gz DNIVHYSBUIIBIK-ZDUSSCGKSA-N 1 0 321.396 1.555 50 0 DDAARO CCN(C(=O)CC[NH2+]CCN1CCOCC1)c1ccccc1C ZINC000065527119 184360241 /nfs/dbraw/zinc/36/02/41/184360241.db2.gz LEUFKCYRMSNMPD-UHFFFAOYSA-N 1 0 319.449 1.660 50 0 DDAARO c1cc(C[NH2+]CCc2nnc3n2CCC3)c2c(c1)OCCCO2 ZINC000065532510 184361653 /nfs/dbraw/zinc/36/16/53/184361653.db2.gz PWAQLHJIXRVVRV-UHFFFAOYSA-N 1 0 314.389 1.718 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000065554334 184365578 /nfs/dbraw/zinc/36/55/78/184365578.db2.gz FJMDTQUXSQSALN-AWEZNQCLSA-N 1 0 309.458 1.387 50 0 DDAARO CCN1C[C@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000065591524 184369776 /nfs/dbraw/zinc/36/97/76/184369776.db2.gz OEPLFHNVPLREAQ-CHWSQXEVSA-N 1 0 309.435 1.335 50 0 DDAARO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000065605659 184371300 /nfs/dbraw/zinc/37/13/00/184371300.db2.gz CSXXNPBIRJGKNX-ZDUSSCGKSA-N 1 0 314.813 1.490 50 0 DDAARO NC(=O)C1CC[NH+](CCCNCc2ccc(F)cc2F)CC1 ZINC000065516977 184358357 /nfs/dbraw/zinc/35/83/57/184358357.db2.gz ARJAMQKLTKUTOI-UHFFFAOYSA-N 1 0 311.376 1.642 50 0 DDAARO CCSc1cc(C(=O)NC[C@H]2CC[N@H+](CCOC)C2)ccn1 ZINC000065622608 184374758 /nfs/dbraw/zinc/37/47/58/184374758.db2.gz RHZFZXQZBCDILQ-CYBMUJFWSA-N 1 0 323.462 1.892 50 0 DDAARO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccncc2)c1 ZINC000067010445 184445409 /nfs/dbraw/zinc/44/54/09/184445409.db2.gz QIARKLVISSCELW-LBPRGKRZSA-N 1 0 305.403 1.841 50 0 DDAARO CCOCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067714781 184481869 /nfs/dbraw/zinc/48/18/69/184481869.db2.gz DDBNAOUIBRNZEC-AWEZNQCLSA-N 1 0 316.405 1.538 50 0 DDAARO O=S1(=O)CCCN1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000089519313 285056612 /nfs/dbraw/zinc/05/66/12/285056612.db2.gz JZEFXIWHBHXUHT-GFCCVEGCSA-N 1 0 300.449 1.751 50 0 DDAARO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000241926500 296390875 /nfs/dbraw/zinc/39/08/75/296390875.db2.gz UGPUUGDXDUADPW-RBSFLKMASA-N 1 0 302.484 1.664 50 0 DDAARO COc1cc2c(cc1OC)CN(C(=O)[C@@]1(F)CC[NH2+]C1)CC2 ZINC000299740318 533168378 /nfs/dbraw/zinc/16/83/78/533168378.db2.gz YIRIMOFHHYKINZ-MRXNPFEDSA-N 1 0 308.353 1.290 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000237570051 257238362 /nfs/dbraw/zinc/23/83/62/257238362.db2.gz VTHFADIGRLVPNC-GXFFZTMASA-N 1 0 300.362 1.265 50 0 DDAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(=O)[nH]c1 ZINC000071841983 184866056 /nfs/dbraw/zinc/86/60/56/184866056.db2.gz RDYNIAQSWZNAJK-UHFFFAOYSA-N 1 0 303.406 1.759 50 0 DDAARO O=C(C[NH2+]Cc1cccs1)N1CC(=O)Nc2ccccc21 ZINC000057541652 134783225 /nfs/dbraw/zinc/78/32/25/134783225.db2.gz DUVKNRYDRYZJEG-UHFFFAOYSA-N 1 0 301.371 1.823 50 0 DDAARO COCC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055325478 292176362 /nfs/dbraw/zinc/17/63/62/292176362.db2.gz LFYBJJHYNAXREK-DLBZAZTESA-N 1 0 323.481 1.432 50 0 DDAARO OCc1cc2n(n1)CC[N@H+](CCCOCc1ccccc1)C2 ZINC000222820639 407562418 /nfs/dbraw/zinc/56/24/18/407562418.db2.gz WHNLYHICUBFECP-UHFFFAOYSA-N 1 0 301.390 1.798 50 0 DDAARO O=C([C@@H]1CCCO1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000223342161 407568574 /nfs/dbraw/zinc/56/85/74/407568574.db2.gz RKJUNUMWIKWQNQ-KRWDZBQOSA-N 1 0 300.402 1.477 50 0 DDAARO COc1ccc(C)cc1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000000453838 406648124 /nfs/dbraw/zinc/64/81/24/406648124.db2.gz KDYYOFOMQXSZOH-UHFFFAOYSA-N 1 0 319.405 1.530 50 0 DDAARO COC(=O)c1csc(N2[NH2+]C(C)=C[C@]2(O)C(F)(F)F)n1 ZINC000001415169 406669456 /nfs/dbraw/zinc/66/94/56/406669456.db2.gz OKAUCLNGUNYIJS-VIFPVBQESA-N 1 0 309.269 1.767 50 0 DDAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OC ZINC000002181773 406683807 /nfs/dbraw/zinc/68/38/07/406683807.db2.gz ORTAVBOYABWSNP-UHFFFAOYSA-N 1 0 309.395 1.109 50 0 DDAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)ccc12 ZINC000002517181 406690746 /nfs/dbraw/zinc/69/07/46/406690746.db2.gz YSUYDFDITKBMJW-ZDUSSCGKSA-N 1 0 312.329 1.333 50 0 DDAARO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000069373803 406702791 /nfs/dbraw/zinc/70/27/91/406702791.db2.gz YDCYHDWCWZUSBE-OLZOCXBDSA-N 1 0 319.361 1.030 50 0 DDAARO CCNC(=O)NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069592571 406739268 /nfs/dbraw/zinc/73/92/68/406739268.db2.gz FRCTYPWGQGNHHJ-HNNXBMFYSA-N 1 0 324.469 1.420 50 0 DDAARO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CCc3ncnn3C2)on1 ZINC000069740475 406766042 /nfs/dbraw/zinc/76/60/42/406766042.db2.gz GBKSATLAOAAMJC-SNVBAGLBSA-N 1 0 318.381 1.107 50 0 DDAARO CC[C@@H](CNC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000069740467 406767031 /nfs/dbraw/zinc/76/70/31/406767031.db2.gz BAKDTTONFCIYIE-DOTOQJQBSA-N 1 0 319.449 1.217 50 0 DDAARO C[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)[NH+](C)C ZINC000069454972 406715213 /nfs/dbraw/zinc/71/52/13/406715213.db2.gz KJRBOQUJOSBVKR-LBPRGKRZSA-N 1 0 313.405 1.825 50 0 DDAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000069491627 406723423 /nfs/dbraw/zinc/72/34/23/406723423.db2.gz STCGQHPNKGBRSM-INIZCTEOSA-N 1 0 308.389 1.628 50 0 DDAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000069808995 406774122 /nfs/dbraw/zinc/77/41/22/406774122.db2.gz LEMIOSNIAAEJGR-AWEZNQCLSA-N 1 0 304.390 1.901 50 0 DDAARO CNC(=O)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000069869365 406784869 /nfs/dbraw/zinc/78/48/69/406784869.db2.gz KEPDYSPYYCKGGF-CQSZACIVSA-N 1 0 321.396 1.290 50 0 DDAARO COC(=O)[C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000008729770 406792163 /nfs/dbraw/zinc/79/21/63/406792163.db2.gz VQCDWKWEVDUUHN-HNNXBMFYSA-N 1 0 316.401 1.673 50 0 DDAARO Cc1nc2ccccc2nc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000070016127 406804178 /nfs/dbraw/zinc/80/41/78/406804178.db2.gz MBEPDHFFTMRFTE-AWEZNQCLSA-N 1 0 300.406 1.701 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)Nc2ccnn2C(C)C)c1 ZINC000070040847 406806897 /nfs/dbraw/zinc/80/68/97/406806897.db2.gz CQEMNZUOZCENPA-ZDUSSCGKSA-N 1 0 304.398 1.586 50 0 DDAARO C[N@@H+]1CCC[C@H](CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000069978169 406798992 /nfs/dbraw/zinc/79/89/92/406798992.db2.gz UPLJCBVRIOHZPI-NSHDSACASA-N 1 0 305.407 1.802 50 0 DDAARO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000069974228 406799183 /nfs/dbraw/zinc/79/91/83/406799183.db2.gz PNYIQQRMYXDSAF-LLVKDONJSA-N 1 0 307.785 1.857 50 0 DDAARO CCC[C@H](C(=O)OCC)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000069973457 406799557 /nfs/dbraw/zinc/79/95/57/406799557.db2.gz MGLVOJZFVNSBJA-MRXNPFEDSA-N 1 0 312.454 1.762 50 0 DDAARO Cn1nc(C(=O)NCC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC000009457272 406809479 /nfs/dbraw/zinc/80/94/79/406809479.db2.gz JHPDSNIHEYLCSW-UHFFFAOYSA-N 1 0 316.405 1.251 50 0 DDAARO CC(C)[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012196070 406838505 /nfs/dbraw/zinc/83/85/05/406838505.db2.gz KHBQUDUVZSWLGG-MRXNPFEDSA-N 1 0 312.360 1.816 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1 ZINC000071819972 406846746 /nfs/dbraw/zinc/84/67/46/406846746.db2.gz LSZRMBXGTWYYGD-CQSZACIVSA-N 1 0 303.337 1.547 50 0 DDAARO CC[N@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000012595500 406847732 /nfs/dbraw/zinc/84/77/32/406847732.db2.gz ATSPGEAOPOMVEN-KRWDZBQOSA-N 1 0 324.396 1.640 50 0 DDAARO CN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828223 406849071 /nfs/dbraw/zinc/84/90/71/406849071.db2.gz MTIWUJIHOHUTSK-AWEZNQCLSA-N 1 0 314.389 1.989 50 0 DDAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000012776510 406852115 /nfs/dbraw/zinc/85/21/15/406852115.db2.gz QZWQHVYERPASEH-UHFFFAOYSA-N 1 0 316.373 1.870 50 0 DDAARO NC(=O)C1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000012791439 406852711 /nfs/dbraw/zinc/85/27/11/406852711.db2.gz KAHNIBYEVJTAKO-HNNXBMFYSA-N 1 0 301.390 1.204 50 0 DDAARO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000071864790 406855659 /nfs/dbraw/zinc/85/56/59/406855659.db2.gz IOHGWMXSPWPXCR-AEFFLSMTSA-N 1 0 306.450 1.989 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)CC2 ZINC000071877330 406859713 /nfs/dbraw/zinc/85/97/13/406859713.db2.gz MWFRPTVGLUXOQL-CYBMUJFWSA-N 1 0 302.426 1.890 50 0 DDAARO C[NH+](C)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013647306 406864634 /nfs/dbraw/zinc/86/46/34/406864634.db2.gz XNXANKKJKFNCGE-UHFFFAOYSA-N 1 0 311.234 1.974 50 0 DDAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000014252367 406874937 /nfs/dbraw/zinc/87/49/37/406874937.db2.gz MRXQNVMVRUJJHK-UHFFFAOYSA-N 1 0 312.435 1.848 50 0 DDAARO O=C(CCOc1ccccc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269033 406876243 /nfs/dbraw/zinc/87/62/43/406876243.db2.gz MERQITYOLBEDKD-IRXDYDNUSA-N 1 0 318.417 1.513 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c2c1CCCC2 ZINC000071763230 406841757 /nfs/dbraw/zinc/84/17/57/406841757.db2.gz BSNGKNAHJNFENW-VXGBXAGGSA-N 1 0 324.446 1.732 50 0 DDAARO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CC1CCCCC1 ZINC000071797425 406844055 /nfs/dbraw/zinc/84/40/55/406844055.db2.gz NARAIUFTVWXGLA-CYBMUJFWSA-N 1 0 309.454 1.611 50 0 DDAARO COCC[N@@H+](Cc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036096178 406975819 /nfs/dbraw/zinc/97/58/19/406975819.db2.gz WMDMIELNNCXIMH-INIZCTEOSA-N 1 0 311.422 1.930 50 0 DDAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000036297085 406978024 /nfs/dbraw/zinc/97/80/24/406978024.db2.gz CIACPTBTFNNTEG-SECBINFHSA-N 1 0 324.324 1.697 50 0 DDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000075122584 406922510 /nfs/dbraw/zinc/92/25/10/406922510.db2.gz LAIYCONIJPTZOY-AWEZNQCLSA-N 1 0 320.437 1.523 50 0 DDAARO C[N@H+](CCn1cncn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000075603891 406937500 /nfs/dbraw/zinc/93/75/00/406937500.db2.gz YHSNQSZCPUJESB-AWEZNQCLSA-N 1 0 321.450 1.345 50 0 DDAARO Cn1nc2c(cc1=O)C[N@@H+](CCCc1nc3ccccc3o1)CC2 ZINC000076064831 406952707 /nfs/dbraw/zinc/95/27/07/406952707.db2.gz OEQOTFXWIUQTNJ-UHFFFAOYSA-N 1 0 324.384 1.912 50 0 DDAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000076070335 406953587 /nfs/dbraw/zinc/95/35/87/406953587.db2.gz OPMWLMAGOQUYMY-LBPRGKRZSA-N 1 0 322.384 1.873 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1F ZINC000044502505 407024834 /nfs/dbraw/zinc/02/48/34/407024834.db2.gz XIVXFZOCKXJQFS-SNVBAGLBSA-N 1 0 302.371 1.112 50 0 DDAARO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC1CCCCC1 ZINC000044715301 407028989 /nfs/dbraw/zinc/02/89/89/407028989.db2.gz CKZKLDKBIQAWGR-HIFRSBDPSA-N 1 0 309.454 1.611 50 0 DDAARO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(O)c1 ZINC000048314907 407095186 /nfs/dbraw/zinc/09/51/86/407095186.db2.gz LRMKFNGIUNESLT-CQSZACIVSA-N 1 0 322.405 1.487 50 0 DDAARO COc1cccc(CC(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)c1 ZINC000085436693 407101451 /nfs/dbraw/zinc/10/14/51/407101451.db2.gz GFXIHRGVXXKMFW-KRWDZBQOSA-N 1 0 318.417 1.153 50 0 DDAARO CCOc1ccc(OC[C@H](O)C[NH+]2CCC(CO)CC2)cc1 ZINC000046090553 407054196 /nfs/dbraw/zinc/05/41/96/407054196.db2.gz XLGFQDPXARANIA-OAHLLOKOSA-N 1 0 309.406 1.529 50 0 DDAARO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000049993058 407126147 /nfs/dbraw/zinc/12/61/47/407126147.db2.gz JISAQFLGTXJOKW-HZPDHXFCSA-N 1 0 321.852 1.807 50 0 DDAARO CC(C)(C[NH2+]Cc1ccc(-n2cccn2)cc1)S(C)(=O)=O ZINC000089761799 407147066 /nfs/dbraw/zinc/14/70/66/407147066.db2.gz BCQKSWHNKLDHOH-UHFFFAOYSA-N 1 0 307.419 1.785 50 0 DDAARO CC1CCC(O)(C[N@H+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000089922570 407158167 /nfs/dbraw/zinc/15/81/67/407158167.db2.gz CLCHQIWUZYBQIS-GQKFXUNGSA-N 1 0 303.468 1.825 50 0 DDAARO C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000089939114 407161202 /nfs/dbraw/zinc/16/12/02/407161202.db2.gz MKNVSFMOVMUTEQ-LBPRGKRZSA-N 1 0 307.442 1.292 50 0 DDAARO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)o1 ZINC000053718183 407172021 /nfs/dbraw/zinc/17/20/21/407172021.db2.gz IOMYUOFYLQPIEH-GOEBONIOSA-N 1 0 319.449 1.699 50 0 DDAARO O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000054687857 407187664 /nfs/dbraw/zinc/18/76/64/407187664.db2.gz HDYUQKJQMFZVCK-UHFFFAOYSA-N 1 0 323.396 1.908 50 0 DDAARO c1nc(N2CCOCC2)ncc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000095352500 407207791 /nfs/dbraw/zinc/20/77/91/407207791.db2.gz KNEYJHYPSUJDGJ-QGZVFWFLSA-N 1 0 318.421 1.316 50 0 DDAARO COCCC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095384006 407212188 /nfs/dbraw/zinc/21/21/88/407212188.db2.gz OBJZGTBYUBXBDK-CQSZACIVSA-N 1 0 308.426 1.187 50 0 DDAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000095968921 407218564 /nfs/dbraw/zinc/21/85/64/407218564.db2.gz IDWHJYLJRKUUKT-ZDUSSCGKSA-N 1 0 318.483 1.580 50 0 DDAARO CCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058344086 407221267 /nfs/dbraw/zinc/22/12/67/407221267.db2.gz XTFVNLGXSICZEJ-INIZCTEOSA-N 1 0 316.449 1.852 50 0 DDAARO CC[NH+]1CCN(c2cc(-n3ccnc3C)n3nccc3n2)CC1 ZINC000065259429 407241485 /nfs/dbraw/zinc/24/14/85/407241485.db2.gz BWZGRYFKQWIMDK-UHFFFAOYSA-N 1 0 311.393 1.365 50 0 DDAARO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000096441482 407266498 /nfs/dbraw/zinc/26/64/98/407266498.db2.gz UKFQKGHBQUIPJS-QGZVFWFLSA-N 1 0 316.449 1.506 50 0 DDAARO CC[NH+](CC)CC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000096441048 407266702 /nfs/dbraw/zinc/26/67/02/407266702.db2.gz SDMOSIZKGSTJMF-UHFFFAOYSA-N 1 0 304.394 1.887 50 0 DDAARO C[C@H](CC[NH+](C)C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000096455032 407269136 /nfs/dbraw/zinc/26/91/36/407269136.db2.gz 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736200876 /nfs/dbraw/zinc/20/08/76/736200876.db2.gz FRHRXSSNBXWBAE-CZUORRHYSA-N 1 0 301.390 1.553 50 0 DDAARO CC[C@@H](C(=O)N1CCN(c2cccc(O)c2)CC1)[N@H+](C)CC ZINC000822549859 758221443 /nfs/dbraw/zinc/22/14/43/758221443.db2.gz JUFWSCFVIYNLTJ-INIZCTEOSA-N 1 0 305.422 1.771 50 0 DDAARO CN(C)C(=O)c1cccc(NCCC[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000828627345 759708595 /nfs/dbraw/zinc/70/85/95/759708595.db2.gz DNCTYIZCVNULPA-CYBMUJFWSA-N 1 0 306.410 1.042 50 0 DDAARO O=S(=O)(CC1CCCC1)NCCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711306 759747792 /nfs/dbraw/zinc/74/77/92/759747792.db2.gz ZHNJSSHCJKHYGZ-HNNXBMFYSA-N 1 0 318.483 1.190 50 0 DDAARO O=C(C1CC1)N1CCC2(CC1)C[C@@H]([NH+]1CCOCC1)CCO2 ZINC000581783992 761702819 /nfs/dbraw/zinc/70/28/19/761702819.db2.gz UKUKBSGTWHBUAT-HNNXBMFYSA-N 1 0 308.422 1.269 50 0 DDAARO C[NH+](C)CCCC(C)(C)NC(=O)CN1CSCCSC1 ZINC000585121037 771955021 /nfs/dbraw/zinc/95/50/21/771955021.db2.gz CXQANXCSYSXCKQ-UHFFFAOYSA-N 1 0 319.540 1.920 50 0 DDAARO Cn1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)n(C)c1=O ZINC000585129378 771961172 /nfs/dbraw/zinc/96/11/72/771961172.db2.gz HQUOIEIJTMZVCY-UHFFFAOYSA-N 1 0 320.437 1.108 50 0 DDAARO COCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1OC ZINC000952861543 775589759 /nfs/dbraw/zinc/58/97/59/775589759.db2.gz HVXUCBFERPWPJM-AWEZNQCLSA-N 1 0 309.366 1.202 50 0 DDAARO CCC[N@@H+]1CCC[C@@H](c2nc(-c3cn(C)c(=O)[nH]c3=O)no2)C1 ZINC000952878218 775627965 /nfs/dbraw/zinc/62/79/65/775627965.db2.gz ZWYJSDKTZBSUHI-SNVBAGLBSA-N 1 0 319.365 1.125 50 0 DDAARO CCCC[NH+]1CCC2(CN(C(=O)COC)C[C@H]2CF)CC1 ZINC000409419936 878183948 /nfs/dbraw/zinc/18/39/48/878183948.db2.gz QJZIUJSCRRQCLQ-CQSZACIVSA-N 1 0 300.418 1.943 50 0 DDAARO CC(C)[N@H+](C)CC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000079050403 185149162 /nfs/dbraw/zinc/14/91/62/185149162.db2.gz SQCKIPQNJBJXTO-INIZCTEOSA-N 1 0 305.422 1.929 50 0 DDAARO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCCOC1 ZINC000305623003 231012274 /nfs/dbraw/zinc/01/22/74/231012274.db2.gz AIKLIYGRJMJAFH-YESZJQIVSA-N 1 0 318.417 1.165 50 0 DDAARO COCC(=O)NCc1cc2n(n1)CCC[N@H+](CCC(C)(C)C)C2 ZINC000082128903 192358754 /nfs/dbraw/zinc/35/87/54/192358754.db2.gz XHJAIODOBQUYPU-UHFFFAOYSA-N 1 0 322.453 1.788 50 0 DDAARO Cc1noc2nc(C)nc(NC[C@@H](O)C[NH+]3CCCCCC3)c12 ZINC000095373052 282417981 /nfs/dbraw/zinc/41/79/81/282417981.db2.gz DHCXDOZBLHAQAR-CYBMUJFWSA-N 1 0 319.409 1.883 50 0 DDAARO CCn1nncc1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000585089110 539556068 /nfs/dbraw/zinc/55/60/68/539556068.db2.gz VOISIQJYUQKMQF-LBPRGKRZSA-N 1 0 314.393 1.678 50 0 DDAARO CCn1cc2[nH]c(OC)c(C[NH2+][C@H]3CCCOC3)cc-2c1=O ZINC000071759619 191026255 /nfs/dbraw/zinc/02/62/55/191026255.db2.gz VKJIXJCGZFBBCT-LBPRGKRZSA-N 1 0 305.378 1.335 50 0 DDAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)CO ZINC000071738833 191019529 /nfs/dbraw/zinc/01/95/29/191019529.db2.gz BBIZHYLNZWUGPW-NSHDSACASA-N 1 0 319.405 1.459 50 0 DDAARO CCCc1nnc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000071754537 191024736 /nfs/dbraw/zinc/02/47/36/191024736.db2.gz CDUGCCZERRILGN-ZDUSSCGKSA-N 1 0 322.409 1.349 50 0 DDAARO CC[C@H]1CN(C(=O)C[NH2+]C)CCC(=O)N1Cc1ccccc1 ZINC000071754562 191024904 /nfs/dbraw/zinc/02/49/04/191024904.db2.gz SNGLOHOYIJOQEC-HNNXBMFYSA-N 1 0 303.406 1.246 50 0 DDAARO Cc1ccc([C@@H]2C[N@H+](C(CO)CO)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072153728 191057918 /nfs/dbraw/zinc/05/79/18/191057918.db2.gz MYLNZGQUNSZDQN-IPMKNSEASA-N 1 0 316.445 1.210 50 0 DDAARO COCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cccnc3)C2)C1 ZINC000072159375 191062492 /nfs/dbraw/zinc/06/24/92/191062492.db2.gz FIPCTAUFROCSHL-SFHVURJKSA-N 1 0 317.433 1.585 50 0 DDAARO O=C(C[C@H]1COCC[NH2+]1)Nc1cc(F)cc2c1NC(=O)CC2 ZINC000072166617 191066604 /nfs/dbraw/zinc/06/66/04/191066604.db2.gz PZAFTIFMCXWYSG-NSHDSACASA-N 1 0 307.325 1.027 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000072268797 191091946 /nfs/dbraw/zinc/09/19/46/191091946.db2.gz SLMWNSAMOVVMFH-GOSISDBHSA-N 1 0 314.433 1.742 50 0 DDAARO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277595341 186476246 /nfs/dbraw/zinc/47/62/46/186476246.db2.gz PKUGCJCEHLKJDA-JIMOISOXSA-N 1 0 316.323 1.475 50 0 DDAARO O[C@]1(c2ccccc2)CCN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072425208 191159531 /nfs/dbraw/zinc/15/95/31/191159531.db2.gz XLMHTBKFJLRHGK-GOSISDBHSA-N 1 0 310.401 1.263 50 0 DDAARO c1cn(Cc2ccc3nonc3c2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072430285 191163199 /nfs/dbraw/zinc/16/31/99/191163199.db2.gz SYNLVWZOMBLDRK-UHFFFAOYSA-N 1 0 321.344 1.434 50 0 DDAARO CCc1nc(CN2CCC[C@H]([NH2+]Cc3cscn3)C2)no1 ZINC000069899130 353175851 /nfs/dbraw/zinc/17/58/51/353175851.db2.gz FOERVJOQNMRPOV-NSHDSACASA-N 1 0 307.423 1.843 50 0 DDAARO COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1([NH3+])CCCCC1 ZINC000002124060 180910728 /nfs/dbraw/zinc/91/07/28/180910728.db2.gz OTWCGEDAOGBECP-CQSZACIVSA-N 1 0 304.390 1.549 50 0 biogenic DDAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)CC2 ZINC000075603597 353371028 /nfs/dbraw/zinc/37/10/28/353371028.db2.gz VYBIHHQXXJYXLN-XMHCIUCPSA-N 1 0 318.446 1.553 50 0 DDAARO C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000073092938 191278681 /nfs/dbraw/zinc/27/86/81/191278681.db2.gz WPUMFXNSHHZLKN-JKSUJKDBSA-N 1 0 319.449 1.454 50 0 DDAARO Cc1cncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000079413877 353561073 /nfs/dbraw/zinc/56/10/73/353561073.db2.gz FBROCOZGHSXEKD-UHFFFAOYSA-N 1 0 311.389 1.789 50 0 DDAARO COc1cc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)cc2c1OCO2 ZINC000084714772 353726497 /nfs/dbraw/zinc/72/64/97/353726497.db2.gz DSIWGLHMMJVPSD-RISCZKNCSA-N 1 0 320.389 1.770 50 0 DDAARO C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1CCCN1c1cccnn1 ZINC000097378022 353919467 /nfs/dbraw/zinc/91/94/67/353919467.db2.gz ITLXXIOFGUAGQX-QWRGUYRKSA-N 1 0 304.316 1.300 50 0 DDAARO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCCS1(=O)=O)[C@H](C)C2 ZINC000230306314 354325980 /nfs/dbraw/zinc/32/59/80/354325980.db2.gz GBLQDOGNHTUWTR-CZUORRHYSA-N 1 0 308.447 1.853 50 0 DDAARO CC(C)[C@H](CNC(=O)c1cc(=O)[nH]cn1)[NH+]1CCC(C)CC1 ZINC000624057506 366168012 /nfs/dbraw/zinc/16/80/12/366168012.db2.gz NCUIDOKIUNVQSD-AWEZNQCLSA-N 1 0 306.410 1.669 50 0 DDAARO C[N@@H+]1CC[C@](C)(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000584902466 354800858 /nfs/dbraw/zinc/80/08/58/354800858.db2.gz GMLPCAZWZFHSKW-GOSISDBHSA-N 1 0 321.465 1.483 50 0 DDAARO Cc1ccoc1C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000584893462 354795061 /nfs/dbraw/zinc/79/50/61/354795061.db2.gz WCFUOJDNSKFOKK-OAHLLOKOSA-N 1 0 303.406 1.440 50 0 DDAARO C[NH+]1CCC(C(=O)NCCc2ncc[nH]2)(c2ccccc2)CC1 ZINC000584896504 354796872 /nfs/dbraw/zinc/79/68/72/354796872.db2.gz NEKKOKXQALHFRK-UHFFFAOYSA-N 1 0 312.417 1.732 50 0 DDAARO O=c1c2cccc(F)c2ncn1[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000584898455 354797617 /nfs/dbraw/zinc/79/76/17/354797617.db2.gz FRBFBHQLIOFUGX-KBPBESRZSA-N 1 0 303.337 1.571 50 0 DDAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000237253555 202205989 /nfs/dbraw/zinc/20/59/89/202205989.db2.gz LEJZHULGPOIVGK-LLVKDONJSA-N 1 0 303.337 1.491 50 0 DDAARO Cc1nnc2ccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)nn12 ZINC000089740929 192855768 /nfs/dbraw/zinc/85/57/68/192855768.db2.gz ICYOSQQNMSIMTC-KGLIPLIRSA-N 1 0 300.410 1.884 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000237714397 202336689 /nfs/dbraw/zinc/33/66/89/202336689.db2.gz RWUHGKMKLQAKOI-GWCFXTLKSA-N 1 0 309.435 1.584 50 0 DDAARO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000005950379 181299916 /nfs/dbraw/zinc/29/99/16/181299916.db2.gz ABLMDJKBDHGMKE-NWDGAFQWSA-N 1 0 318.211 1.549 50 0 DDAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000089937455 192910595 /nfs/dbraw/zinc/91/05/95/192910595.db2.gz WIIBVFRGAVZJSI-BLLLJJGKSA-N 1 0 313.401 1.875 50 0 DDAARO CN(Cc1ccccc1Cl)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000195530162 201398428 /nfs/dbraw/zinc/39/84/28/201398428.db2.gz ORXKZSQRXRTWIS-AWEZNQCLSA-N 1 0 324.856 1.727 50 0 DDAARO O=C(Cc1ccc(Cl)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620488034 364448469 /nfs/dbraw/zinc/44/84/69/364448469.db2.gz FKZVHVAZJZEBNY-MRXNPFEDSA-N 1 0 322.836 1.940 50 0 DDAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C(N)=O)CC3)c2cc1O ZINC000006759255 181384588 /nfs/dbraw/zinc/38/45/88/181384588.db2.gz WNTXWGWUEXSHGE-UHFFFAOYSA-N 1 0 316.357 1.504 50 0 DDAARO Cc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c2c1 ZINC000091617002 193079470 /nfs/dbraw/zinc/07/94/70/193079470.db2.gz RGYSRKAAAKEWQC-CABCVRRESA-N 1 0 311.385 1.646 50 0 DDAARO Cn1c(CN2CCCCCC2)nnc1C1CCN(CC[NH3+])CC1 ZINC000091914683 193126213 /nfs/dbraw/zinc/12/62/13/193126213.db2.gz YRPIABVLARBONR-UHFFFAOYSA-N 1 0 320.485 1.329 50 0 DDAARO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1noc2ccccc12 ZINC000261680346 203093200 /nfs/dbraw/zinc/09/32/00/203093200.db2.gz LSEOXERMHWEXHM-PWSUYJOCSA-N 1 0 309.391 1.388 50 0 DDAARO C[C@@H](CNc1ccc(OC(F)F)cn1)N1CC[NH+](C)CC1 ZINC000094154113 193347191 /nfs/dbraw/zinc/34/71/91/193347191.db2.gz LKHXOEMOTIOHMZ-NSHDSACASA-N 1 0 300.353 1.731 50 0 DDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cnn2c1CCCC2 ZINC000072122567 284246152 /nfs/dbraw/zinc/24/61/52/284246152.db2.gz QRFGWHODWPVAGX-HOCLYGCPSA-N 1 0 318.421 1.203 50 0 DDAARO Cn1cc(CCC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000288216482 220024423 /nfs/dbraw/zinc/02/44/23/220024423.db2.gz DJQVMYGIENXRLO-UHFFFAOYSA-N 1 0 312.417 1.696 50 0 DDAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000015773634 182015963 /nfs/dbraw/zinc/01/59/63/182015963.db2.gz IXKAJUXDCSTQOD-MRXNPFEDSA-N 1 0 315.417 1.566 50 0 DDAARO C[NH+]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019363239 182119017 /nfs/dbraw/zinc/11/90/17/182119017.db2.gz IQVDTBJFULZDHI-QGZVFWFLSA-N 1 0 300.402 1.827 50 0 DDAARO C(c1[nH]nc2c1CCCC2)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000020149332 182192585 /nfs/dbraw/zinc/19/25/85/182192585.db2.gz PEIZUYCAYPMSAD-OAHLLOKOSA-N 1 0 318.465 1.833 50 0 DDAARO C[NH+]1CCN(CC2N=NC(=S)N2c2cccc(Cl)c2)CC1 ZINC000022942888 182343650 /nfs/dbraw/zinc/34/36/50/182343650.db2.gz XRIKCYRFDLHTRS-UHFFFAOYSA-N 1 0 323.853 1.957 50 0 DDAARO NC(=O)CC[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000022783842 182334966 /nfs/dbraw/zinc/33/49/66/182334966.db2.gz QWFWJGZXYNIXPJ-UHFFFAOYSA-N 1 0 303.431 1.894 50 0 DDAARO CC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000023053348 182346287 /nfs/dbraw/zinc/34/62/87/182346287.db2.gz YGPMUQURWMKWGS-CQSZACIVSA-N 1 0 304.390 1.675 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccs1 ZINC000023106569 182347865 /nfs/dbraw/zinc/34/78/65/182347865.db2.gz RJHCNVPPMDCXEV-VIFPVBQESA-N 1 0 308.363 1.094 50 0 DDAARO CS(=O)(=O)N1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000030656102 182595338 /nfs/dbraw/zinc/59/53/38/182595338.db2.gz IIKPNNJDTZQCRV-UHFFFAOYSA-N 1 0 319.430 1.748 50 0 DDAARO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1F ZINC000040528206 183093363 /nfs/dbraw/zinc/09/33/63/183093363.db2.gz WWAXDQRDKRYCBX-CHWSQXEVSA-N 1 0 316.373 1.870 50 0 DDAARO O=C(Cc1ccccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040541253 183097798 /nfs/dbraw/zinc/09/77/98/183097798.db2.gz OZFRDOYCJHZLQP-UHFFFAOYSA-N 1 0 320.408 1.939 50 0 DDAARO O=C(c1ccncc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091846439 296272904 /nfs/dbraw/zinc/27/29/04/296272904.db2.gz AOTJMWYMQGVTIT-IAGOWNOFSA-N 1 0 317.433 1.638 50 0 DDAARO Cc1cc(C)n2nc(C(=O)N(CC[NH+](C)C)CC(C)C)nc2n1 ZINC000048220196 183627402 /nfs/dbraw/zinc/62/74/02/183627402.db2.gz SZDNMBPUAMGFAG-UHFFFAOYSA-N 1 0 318.425 1.401 50 0 DDAARO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C(=O)NC(N)=O ZINC000056160075 184006333 /nfs/dbraw/zinc/00/63/33/184006333.db2.gz JOPZAPHMKFUFDL-NSHDSACASA-N 1 0 307.369 1.811 50 0 DDAARO COc1ccc(CC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000058326735 184105589 /nfs/dbraw/zinc/10/55/89/184105589.db2.gz NBWSOBFRNOHBGO-LBPRGKRZSA-N 1 0 319.405 1.533 50 0 DDAARO CCn1ncnc1[C@H](C)Nc1nc(CC[NH3+])nc2ccccc21 ZINC000065373049 184330616 /nfs/dbraw/zinc/33/06/16/184330616.db2.gz HGRRWKMZMOAMOO-NSHDSACASA-N 1 0 311.393 1.916 50 0 DDAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1[C@@H](C)NS(C)(=O)=O ZINC000065455778 184347292 /nfs/dbraw/zinc/34/72/92/184347292.db2.gz AOEWBRZABXEKAO-LLVKDONJSA-N 1 0 323.422 1.704 50 0 DDAARO CC(C)Nc1ncc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000065469639 184350886 /nfs/dbraw/zinc/35/08/86/184350886.db2.gz MEQDFFYWPZCFHS-UHFFFAOYSA-N 1 0 317.437 1.855 50 0 DDAARO C[C@@H](C(N)=O)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065474847 184351412 /nfs/dbraw/zinc/35/14/12/184351412.db2.gz MYZAOYGHNFHAMW-NSHDSACASA-N 1 0 304.369 1.954 50 0 DDAARO C[N@H+](C[C@H]1CCCN(CCO)C1)C1CSCCSC1 ZINC000065403855 184337255 /nfs/dbraw/zinc/33/72/55/184337255.db2.gz CDTZYKVJPLCMRN-CYBMUJFWSA-N 1 0 304.525 1.471 50 0 DDAARO COC(CN1CC[NH+](Cc2cn(C)c3ccccc23)CC1)OC ZINC000065526451 184359839 /nfs/dbraw/zinc/35/98/39/184359839.db2.gz OCQAOEQAJPYWHF-UHFFFAOYSA-N 1 0 317.433 1.915 50 0 DDAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000065542867 184364060 /nfs/dbraw/zinc/36/40/60/184364060.db2.gz IWRYEXDRPGJGGQ-CQSZACIVSA-N 1 0 314.389 1.852 50 0 DDAARO CC[C@H](C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000065564376 184366787 /nfs/dbraw/zinc/36/67/87/184366787.db2.gz SPNKJYSLHOHGDP-ZDUSSCGKSA-N 1 0 321.469 1.533 50 0 DDAARO COc1ccc(-n2ccc(C(=O)N3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000158390915 197268205 /nfs/dbraw/zinc/26/82/05/197268205.db2.gz BHXRRZVZDXTIEI-LBPRGKRZSA-N 1 0 300.362 1.444 50 0 DDAARO CN1CC[NH+](CC2CN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000521398455 257234615 /nfs/dbraw/zinc/23/46/15/257234615.db2.gz HMWCJWJIOVGJGY-UHFFFAOYSA-N 1 0 314.355 1.784 50 0 DDAARO Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000237634337 257238428 /nfs/dbraw/zinc/23/84/28/257238428.db2.gz WKPSOPFOYQQFAY-VHSXEESVSA-N 1 0 304.362 1.774 50 0 DDAARO Cc1noc(C)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222937392 407560004 /nfs/dbraw/zinc/56/00/04/407560004.db2.gz XVZNCVVMWCYKQF-FAAHXZRKSA-N 1 0 305.378 1.273 50 0 DDAARO COCCCn1cnnc1[C@H](C)NC(=O)C1(C)CC[NH+](C)CC1 ZINC000097744981 292384735 /nfs/dbraw/zinc/38/47/35/292384735.db2.gz UFMZGNGCPZIMIE-ZDUSSCGKSA-N 1 0 323.441 1.224 50 0 DDAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000000000211 406616186 /nfs/dbraw/zinc/61/61/86/406616186.db2.gz AWOGXJOBNAWQSF-CQSZACIVSA-N 1 0 308.378 1.585 50 0 in-man DDAARO c1cc(C[NH+]2CCCC2)ccc1CNc1cncc2nnnn21 ZINC000069161067 406686543 /nfs/dbraw/zinc/68/65/43/406686543.db2.gz HUEGHLCJGGNTCA-UHFFFAOYSA-N 1 0 309.377 1.727 50 0 DDAARO CCC[NH+]1CCC(NC(=O)c2ccccc2-n2cnnn2)CC1 ZINC000069322812 406695436 /nfs/dbraw/zinc/69/54/36/406695436.db2.gz HGEVKVXYSNNUAP-UHFFFAOYSA-N 1 0 314.393 1.267 50 0 DDAARO CCc1nc(CC(=O)NC[C@H]2CC[N@H+](CCOC)C2)cs1 ZINC000068477517 406642464 /nfs/dbraw/zinc/64/24/64/406642464.db2.gz JESSQVVHRQRKHN-GFCCVEGCSA-N 1 0 311.451 1.333 50 0 DDAARO Cc1ccc(CCC(=O)NCC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000069537376 406731980 /nfs/dbraw/zinc/73/19/80/406731980.db2.gz HQZBDXCVLGDUJT-AWEZNQCLSA-N 1 0 305.422 1.110 50 0 DDAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000069562502 406733886 /nfs/dbraw/zinc/73/38/86/406733886.db2.gz SISPJXDJNLLTLN-INIZCTEOSA-N 1 0 315.417 1.549 50 0 DDAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)C2CC2)C1 ZINC000069619928 406746744 /nfs/dbraw/zinc/74/67/44/406746744.db2.gz SXUBFPRZEVUDAO-ZDUSSCGKSA-N 1 0 309.454 1.529 50 0 DDAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069699843 406757628 /nfs/dbraw/zinc/75/76/28/406757628.db2.gz FEMXSGPBWUERSX-CABCVRRESA-N 1 0 320.368 1.322 50 0 DDAARO O=C(Cc1cccc(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069711174 406763427 /nfs/dbraw/zinc/76/34/27/406763427.db2.gz RXRPPSUBJBLLLA-INIZCTEOSA-N 1 0 320.408 1.939 50 0 DDAARO CCCOc1ccc([C@@]2(C)NC(=O)N(CC[NH+](C)C)C2=O)cc1 ZINC000003208107 406713620 /nfs/dbraw/zinc/71/36/20/406713620.db2.gz PBHHYBOACNKZOZ-QGZVFWFLSA-N 1 0 319.405 1.804 50 0 DDAARO C[C@@H]1C[N@H+](CCc2ccncc2)CCN1c1ccc2nncn2n1 ZINC000069484808 406719670 /nfs/dbraw/zinc/71/96/70/406719670.db2.gz RWMCFTKKJPGFCK-CQSZACIVSA-N 1 0 323.404 1.273 50 0 DDAARO Cn1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c(-c2cccnc2)n1 ZINC000069521488 406728607 /nfs/dbraw/zinc/72/86/07/406728607.db2.gz MIGFDYKPIZDETA-CQSZACIVSA-N 1 0 309.377 1.178 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C)n(C)c1=O ZINC000069521167 406729514 /nfs/dbraw/zinc/72/95/14/406729514.db2.gz BRQFRJWFNDQHMU-CVEARBPZSA-N 1 0 317.433 1.783 50 0 DDAARO CC[C@@H]1C[N@H+](CC2CCN(C(C)=O)CC2)CCN1CCOC ZINC000069928437 406794581 /nfs/dbraw/zinc/79/45/81/406794581.db2.gz JTUFEKFVJMGWDF-QGZVFWFLSA-N 1 0 311.470 1.288 50 0 DDAARO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cccc(O)c1 ZINC000069895732 406788959 /nfs/dbraw/zinc/78/89/59/406788959.db2.gz OPDOCYHEYOEGMI-UHFFFAOYSA-N 1 0 302.349 1.980 50 0 DDAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000070005015 406802021 /nfs/dbraw/zinc/80/20/21/406802021.db2.gz XLDHHENVBYQAAB-LBPRGKRZSA-N 1 0 304.398 1.159 50 0 DDAARO CCOCC[N@@H+]1CCN(c2ncnc3c2cnn3C)C[C@@H]1CC ZINC000070037089 406803906 /nfs/dbraw/zinc/80/39/06/406803906.db2.gz SHYNYEKTFHFXBQ-ZDUSSCGKSA-N 1 0 318.425 1.300 50 0 DDAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(C)=O)c1 ZINC000009908038 406815714 /nfs/dbraw/zinc/81/57/14/406815714.db2.gz JDCLQDNJJMIFJI-UHFFFAOYSA-N 1 0 319.405 1.964 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1 ZINC000010330820 406821484 /nfs/dbraw/zinc/82/14/84/406821484.db2.gz QQOXEKDYGDTALJ-LBPRGKRZSA-N 1 0 302.334 1.032 50 0 DDAARO CC(C)CC(=O)C(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000011708791 406830795 /nfs/dbraw/zinc/83/07/95/406830795.db2.gz RNMGZFORACVBPZ-OAHLLOKOSA-N 1 0 311.470 1.476 50 0 DDAARO NC(=O)C(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000071278935 406836263 /nfs/dbraw/zinc/83/62/63/406836263.db2.gz JCRRNAPLWAMWJV-XYHHVPKHSA-N 1 0 319.380 1.152 50 0 DDAARO CNC(=O)c1ccc(NC(=O)NCC[NH+]2CCCC2)cc1Cl ZINC000071818888 406846530 /nfs/dbraw/zinc/84/65/30/406846530.db2.gz JJCZIXKHOUYINU-UHFFFAOYSA-N 1 0 324.812 1.917 50 0 DDAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000012557522 406847881 /nfs/dbraw/zinc/84/78/81/406847881.db2.gz UJHKEGFXJUEPQZ-UHFFFAOYSA-N 1 0 300.362 1.987 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000071828217 406848246 /nfs/dbraw/zinc/84/82/46/406848246.db2.gz NNFAUCVDXAFOFN-QWHCGFSZSA-N 1 0 309.410 1.350 50 0 DDAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000012851391 406853769 /nfs/dbraw/zinc/85/37/69/406853769.db2.gz RMNGANFZCYHGMZ-LLVKDONJSA-N 1 0 307.419 1.781 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000071879159 406859832 /nfs/dbraw/zinc/85/98/32/406859832.db2.gz WNQWZJFCSMZXNV-AWEZNQCLSA-N 1 0 302.378 1.056 50 0 DDAARO Cc1cnn(CC[NH2+]CC(=O)N(C)Cc2cccc(F)c2)c1 ZINC000072253052 406875366 /nfs/dbraw/zinc/87/53/66/406875366.db2.gz HQXGISLONPSSCQ-UHFFFAOYSA-N 1 0 304.369 1.579 50 0 DDAARO O=C(Cc1cccc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269281 406875864 /nfs/dbraw/zinc/87/58/64/406875864.db2.gz NSWLVPLACOTFJT-JKSUJKDBSA-N 1 0 322.836 1.940 50 0 DDAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000072268659 406875951 /nfs/dbraw/zinc/87/59/51/406875951.db2.gz OOSXFZYECWROTQ-KBPBESRZSA-N 1 0 316.467 1.287 50 0 DDAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000072276692 406877913 /nfs/dbraw/zinc/87/79/13/406877913.db2.gz JJWCOKKQTZRSCI-MRXNPFEDSA-N 1 0 312.421 1.984 50 0 DDAARO Cc1ncsc1CC[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300775 406880100 /nfs/dbraw/zinc/88/01/00/406880100.db2.gz CNVWTFMSRSVORZ-IAQYHMDHSA-N 1 0 322.434 1.304 50 0 DDAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000017012621 406883706 /nfs/dbraw/zinc/88/37/06/406883706.db2.gz LSDQFZYSBJNTTK-UHFFFAOYSA-N 1 0 315.377 1.406 50 0 DDAARO [NH2+]=C1NC(Nc2ccc(F)cc2)=N[C@@]2(N1)C(=O)Nc1ccccc12 ZINC000019327173 406885106 /nfs/dbraw/zinc/88/51/06/406885106.db2.gz LHKBHIZVLYMZQK-MRXNPFEDSA-N 1 0 324.319 1.317 50 0 DDAARO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccn1 ZINC000074003033 406899391 /nfs/dbraw/zinc/89/93/91/406899391.db2.gz QIJZDVMEQWENMT-ZDUSSCGKSA-N 1 0 306.410 1.553 50 0 DDAARO CC(C)c1nn(C)cc1CNCCC[NH+]1CCC(C(N)=O)CC1 ZINC000071809779 406844782 /nfs/dbraw/zinc/84/47/82/406844782.db2.gz IGBLEEFRSCVRKN-UHFFFAOYSA-N 1 0 321.469 1.221 50 0 DDAARO O=S(=O)(NC1CC[NH2+]CC1)c1ccccc1Br ZINC000034957449 406967041 /nfs/dbraw/zinc/96/70/41/406967041.db2.gz CUAQBLUDHFDUGZ-UHFFFAOYSA-N 1 0 319.224 1.479 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1 ZINC000028017809 406915277 /nfs/dbraw/zinc/91/52/77/406915277.db2.gz TXKUQRYWTDIGKR-CYBMUJFWSA-N 1 0 311.813 1.822 50 0 DDAARO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(=O)[nH]1 ZINC000075118543 406922482 /nfs/dbraw/zinc/92/24/82/406922482.db2.gz IOKGJIXRNCJOBO-HNNXBMFYSA-N 1 0 317.364 1.855 50 0 DDAARO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000029852905 406928274 /nfs/dbraw/zinc/92/82/74/406928274.db2.gz WITGWLBBLDHOBW-CYBMUJFWSA-N 1 0 307.394 1.622 50 0 DDAARO CCO[C@@H]1C[C@@H]([N@H+](C)CCCS(N)(=O)=O)C12CCCCC2 ZINC000076040610 406950979 /nfs/dbraw/zinc/95/09/79/406950979.db2.gz 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CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229827626 407673317 /nfs/dbraw/zinc/67/33/17/407673317.db2.gz RLHIHNMHJOJCDY-UGUYLWEFSA-N 1 0 312.454 1.615 50 0 DDAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC[C@@H]2CCCO2)cn1 ZINC000229814556 407673335 /nfs/dbraw/zinc/67/33/35/407673335.db2.gz MFXSGAUFSCINNT-PMPSAXMXSA-N 1 0 309.410 1.114 50 0 DDAARO CN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179126065 407730613 /nfs/dbraw/zinc/73/06/13/407730613.db2.gz XNIOSSQPVKTWFP-LLVKDONJSA-N 1 0 322.796 1.304 50 0 DDAARO CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179110051 407725589 /nfs/dbraw/zinc/72/55/89/407725589.db2.gz PIHHVDHIRNOYNZ-GFCCVEGCSA-N 1 0 310.419 1.303 50 0 DDAARO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3COCCN3)C2)cc1 ZINC000237295578 407810820 /nfs/dbraw/zinc/81/08/20/407810820.db2.gz CSBYLFUMJVBPBX-XPKDYRNWSA-N 1 0 304.390 1.388 50 0 DDAARO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@H]1C[NH3+] ZINC000237637337 407833337 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CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000182548698 408191142 /nfs/dbraw/zinc/19/11/42/408191142.db2.gz ORMARBIVHXYQJD-RCBQFDQVSA-N 1 0 306.406 1.969 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000151018707 408243106 /nfs/dbraw/zinc/24/31/06/408243106.db2.gz QDCVKLNCUFINRL-QGZVFWFLSA-N 1 0 317.433 1.343 50 0 DDAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000247730907 408506360 /nfs/dbraw/zinc/50/63/60/408506360.db2.gz HFQOHCQKYAXMMO-IAGOWNOFSA-N 1 0 309.406 1.037 50 0 DDAARO CCn1ccnc1CN(C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC ZINC000252552093 408804447 /nfs/dbraw/zinc/80/44/47/408804447.db2.gz UNQUPYVCEBIJDV-BETUJISGSA-N 1 0 317.441 1.351 50 0 DDAARO C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)C1 ZINC000252537739 408805633 /nfs/dbraw/zinc/80/56/33/408805633.db2.gz MERAEBLLUUFBAA-RBSFLKMASA-N 1 0 318.421 1.625 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 ZINC000249694954 408757423 /nfs/dbraw/zinc/75/74/23/408757423.db2.gz PZVGTDJFPAFJCK-CHWSQXEVSA-N 1 0 321.446 1.936 50 0 DDAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277734154 409001290 /nfs/dbraw/zinc/00/12/90/409001290.db2.gz XTBSZXAMXUCSAC-NWDGAFQWSA-N 1 0 302.296 1.387 50 0 DDAARO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299766508 410614348 /nfs/dbraw/zinc/61/43/48/410614348.db2.gz OQNOABADVAMPBF-ORQFMDKSSA-N 1 0 321.421 1.015 50 0 DDAARO COCCN1C[C@@H](C[NH+]2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000299776552 410620114 /nfs/dbraw/zinc/62/01/14/410620114.db2.gz DDAHPUXCIPSDJP-CYBMUJFWSA-N 1 0 306.410 1.084 50 0 DDAARO Cc1n[nH]c(C)c1CC(=O)NCCCOC1CC[NH+](C)CC1 ZINC000299802633 410640795 /nfs/dbraw/zinc/64/07/95/410640795.db2.gz UFQZEPUVVSWTRO-UHFFFAOYSA-N 1 0 308.426 1.186 50 0 DDAARO CCCC[N@H+](CC)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000044908306 418432177 /nfs/dbraw/zinc/43/21/77/418432177.db2.gz GVBWJJZSWFZAPL-HNNXBMFYSA-N 1 0 319.405 1.388 50 0 DDAARO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000241837479 222211596 /nfs/dbraw/zinc/21/15/96/222211596.db2.gz SKMIMFSHUJBGPO-JKSUJKDBSA-N 1 0 320.433 1.883 50 0 DDAARO COCCn1cc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000242302406 222213320 /nfs/dbraw/zinc/21/33/20/222213320.db2.gz YSJHDJOMSBFLTH-BXUZGUMPSA-N 1 0 307.398 1.134 50 0 DDAARO COc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000247002645 222226271 /nfs/dbraw/zinc/22/62/71/222226271.db2.gz BPHLOCUAAYZWOU-ZDUSSCGKSA-N 1 0 319.405 1.422 50 0 DDAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC[C@H]2CCCO2)on1 ZINC000252452476 222244361 /nfs/dbraw/zinc/24/43/61/222244361.db2.gz KUDDLAJGWWUYBN-KFWWJZLASA-N 1 0 310.394 1.676 50 0 DDAARO CC[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000408520903 418807798 /nfs/dbraw/zinc/80/77/98/418807798.db2.gz APWQNCVYPCNHLG-LBPRGKRZSA-N 1 0 316.430 1.958 50 0 DDAARO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000408521814 418808199 /nfs/dbraw/zinc/80/81/99/418808199.db2.gz KDKFJDJKNJRHGD-LSDHHAIUSA-N 1 0 309.454 1.720 50 0 DDAARO C[NH+]1CCC(CCC(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 ZINC000426371189 419450486 /nfs/dbraw/zinc/45/04/86/419450486.db2.gz QCTKPAIKQBGMBD-UHFFFAOYSA-N 1 0 319.331 1.562 50 0 DDAARO O=C(c1cncc(F)c1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000426386940 419454549 /nfs/dbraw/zinc/45/45/49/419454549.db2.gz RLDGVLLBGWQFHL-INIZCTEOSA-N 1 0 318.396 1.073 50 0 DDAARO Cc1nc[nH]c1CNC(=O)c1ccc(C)c(OCCC[NH3+])c1 ZINC000426615126 419515203 /nfs/dbraw/zinc/51/52/03/419515203.db2.gz KCACLNUNFHMWMT-UHFFFAOYSA-N 1 0 302.378 1.684 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000299754868 229398154 /nfs/dbraw/zinc/39/81/54/229398154.db2.gz ANHNEWOTOLXZMH-KBPBESRZSA-N 1 0 302.378 1.400 50 0 DDAARO OCc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000655698516 424638220 /nfs/dbraw/zinc/63/82/20/424638220.db2.gz GXUQUCIZHBINBO-INIZCTEOSA-N 1 0 308.397 1.661 50 0 DDAARO CC(C)c1nn(C)cc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000048367242 276073351 /nfs/dbraw/zinc/07/33/51/276073351.db2.gz NUWZHZHZKZIVHB-CQSZACIVSA-N 1 0 309.377 1.990 50 0 DDAARO CC(C)NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864308 277647312 /nfs/dbraw/zinc/64/73/12/277647312.db2.gz GIOIVHFFQIFOQR-ZDUSSCGKSA-N 1 0 309.435 1.526 50 0 DDAARO C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[N@H+](C)C[C@@H]1C ZINC000089938859 278197985 /nfs/dbraw/zinc/19/79/85/278197985.db2.gz QCEWIMWPRSULIR-STQMWFEESA-N 1 0 307.463 1.657 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 ZINC000089588353 278364828 /nfs/dbraw/zinc/36/48/28/278364828.db2.gz XTCMFVPPHMFJMN-UONOGXRCSA-N 1 0 305.422 1.651 50 0 DDAARO CC1(C)C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C(C)(C)O1 ZINC000090796745 278388851 /nfs/dbraw/zinc/38/88/51/278388851.db2.gz PUGSNVKAHJAZRE-NEPJUHHUSA-N 1 0 304.456 1.204 50 0 DDAARO CC(C)(C)SCC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000252482721 278482257 /nfs/dbraw/zinc/48/22/57/278482257.db2.gz DMKQKFAHGKLJAS-HNNXBMFYSA-N 1 0 313.467 1.828 50 0 DDAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(O)CCCCC1 ZINC000237805129 279199088 /nfs/dbraw/zinc/19/90/88/279199088.db2.gz FCESXDOTYHVBQG-UHFFFAOYSA-N 1 0 322.453 1.350 50 0 DDAARO CCN1CC2(CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)OC1=O ZINC000077437284 279256058 /nfs/dbraw/zinc/25/60/58/279256058.db2.gz PNKHBUHGBUZHEP-CYBMUJFWSA-N 1 0 321.421 1.209 50 0 DDAARO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@@H]1C[NH3+] ZINC000237637309 279663468 /nfs/dbraw/zinc/66/34/68/279663468.db2.gz LEDUSHRFEDYLJS-ZUZCIYMTSA-N 1 0 317.364 1.867 50 0 DDAARO O=C(c1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2)N1CCCC1 ZINC000065397530 280174434 /nfs/dbraw/zinc/17/44/34/280174434.db2.gz SLLOEYQNXNAKRX-UHFFFAOYSA-N 1 0 318.421 1.504 50 0 DDAARO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C ZINC000096476480 289968793 /nfs/dbraw/zinc/96/87/93/289968793.db2.gz UPEDWRVNIYWOFI-RYUDHWBXSA-N 1 0 314.426 1.977 50 0 DDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)C(F)(F)F)c1 ZINC000071882214 293004335 /nfs/dbraw/zinc/00/43/35/293004335.db2.gz MOZLDSZDICJQNS-ZJUUUORDSA-N 1 0 313.345 1.665 50 0 DDAARO C[C@H]1CN(C(=O)NCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000253417014 300140442 /nfs/dbraw/zinc/14/04/42/300140442.db2.gz WUCVFSNTIFLWFP-RYUDHWBXSA-N 1 0 322.375 1.216 50 0 DDAARO CSc1nnc(CC2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000082087680 331989938 /nfs/dbraw/zinc/98/99/38/331989938.db2.gz DLQLABSDQFFWMG-ZDUSSCGKSA-N 1 0 310.467 1.828 50 0 DDAARO C[NH+](C)CC[C@H](NS(=O)(=O)c1cn[nH]c1)c1ccccc1 ZINC000534580396 334288872 /nfs/dbraw/zinc/28/88/72/334288872.db2.gz UWPZKWDMHIMWAI-AWEZNQCLSA-N 1 0 308.407 1.381 50 0 DDAARO Cc1noc(C)c1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000534649868 334311368 /nfs/dbraw/zinc/31/13/68/334311368.db2.gz KASXXZQBHCNLNP-HOTGVXAUSA-N 1 0 321.421 1.594 50 0 DDAARO CN(C)C(=O)c1cncc(NCC2(C[NH+]3CCCC3)CC2)n1 ZINC000534660597 334313618 /nfs/dbraw/zinc/31/36/18/334313618.db2.gz VLKXWWMAHMEVRG-UHFFFAOYSA-N 1 0 303.410 1.466 50 0 DDAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1(CO)CCCCC1 ZINC000534647918 334316190 /nfs/dbraw/zinc/31/61/90/334316190.db2.gz OQFYVDHLTLJPEX-INIZCTEOSA-N 1 0 304.434 1.971 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000106917493 337383252 /nfs/dbraw/zinc/38/32/52/337383252.db2.gz HBKQSMZWIAYCPG-BPLDGKMQSA-N 1 0 315.483 1.520 50 0 DDAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CN3CCN2CC3)c1 ZINC000090647416 484012308 /nfs/dbraw/zinc/01/23/08/484012308.db2.gz CEMIZWALUMOYFZ-DYVFJYSZSA-N 1 0 302.422 1.295 50 0 DDAARO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 ZINC000090973050 484013206 /nfs/dbraw/zinc/01/32/06/484013206.db2.gz QQVSPBWGVITJEP-KGLIPLIRSA-N 1 0 300.410 1.777 50 0 DDAARO C[NH+](C)[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1C1CC1 ZINC000091713845 484014605 /nfs/dbraw/zinc/01/46/05/484014605.db2.gz AQWGECBNBMDAKJ-CABCVRRESA-N 1 0 300.406 1.766 50 0 DDAARO COc1cc(CCO)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656257702 484050599 /nfs/dbraw/zinc/05/05/99/484050599.db2.gz KXMSTKNUYKJQRB-MRXNPFEDSA-N 1 0 320.433 1.895 50 0 DDAARO CCCc1ncncc1C(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000670472593 484849233 /nfs/dbraw/zinc/84/92/33/484849233.db2.gz WFDDDRTVMITBPH-ZDUSSCGKSA-N 1 0 306.410 1.079 50 0 DDAARO COc1ccccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000674074465 485528886 /nfs/dbraw/zinc/52/88/86/485528886.db2.gz KJDWPWWQDFUDSB-UHFFFAOYSA-N 1 0 300.424 1.658 50 0 DDAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C)CC2)cc1C ZINC000022999728 490576430 /nfs/dbraw/zinc/57/64/30/490576430.db2.gz HWYCPYSJJJFDHS-UHFFFAOYSA-N 1 0 312.435 1.624 50 0 DDAARO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl ZINC000299738668 534593557 /nfs/dbraw/zinc/59/35/57/534593557.db2.gz FAUUEJMKOSUBIX-SMDDNHRTSA-N 1 0 312.797 1.258 50 0 DDAARO O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299747453 534665278 /nfs/dbraw/zinc/66/52/78/534665278.db2.gz DBCVIYCLUQWPCS-PBHICJAKSA-N 1 0 312.369 1.818 50 0 DDAARO CCO[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(C)C)C12CCOCC2 ZINC000328586821 528144693 /nfs/dbraw/zinc/14/46/93/528144693.db2.gz LIGYCRFYIKOIOQ-GJZGRUSLSA-N 1 0 322.453 1.998 50 0 DDAARO Cc1ccccc1OC[C@@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000170050138 545647940 /nfs/dbraw/zinc/64/79/40/545647940.db2.gz PEEUJDKZYTUVLI-KGLIPLIRSA-N 1 0 308.447 1.974 50 0 DDAARO CC(C)=CCN1CC[N@H+](CCCn2cccn2)C[C@@H]1CCO ZINC000022932824 696080372 /nfs/dbraw/zinc/08/03/72/696080372.db2.gz MHGNUCUNLVOXPO-KRWDZBQOSA-N 1 0 306.454 1.608 50 0 DDAARO C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(OC)c1 ZINC000048557315 696213970 /nfs/dbraw/zinc/21/39/70/696213970.db2.gz SFFPSBPGLGJTND-QGZUEGPWSA-N 1 0 321.417 1.925 50 0 DDAARO COC[C@H]1CN(C(=O)Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000169782290 697345401 /nfs/dbraw/zinc/34/54/01/697345401.db2.gz IKQIJVZLVIKKSY-OAHLLOKOSA-N 1 0 320.408 1.843 50 0 DDAARO CC[C@@H]1CN(C)CCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000818971866 704038656 /nfs/dbraw/zinc/03/86/56/704038656.db2.gz REDLWSDZVXASGZ-LLVKDONJSA-N 1 0 317.393 1.143 50 0 DDAARO COc1c[nH]c(C(=O)NC[C@H]2CCC[NH+]3CCCC[C@@H]23)cc1=O ZINC000888090481 709210790 /nfs/dbraw/zinc/21/07/90/709210790.db2.gz BVZFJPJDVOFUBQ-OCCSQVGLSA-N 1 0 319.405 1.378 50 0 DDAARO CCO/C=C/[C@@](O)(C[NH2+]Cc1cnc2n1CCC2)C(F)(F)F ZINC000928995550 713521899 /nfs/dbraw/zinc/52/18/99/713521899.db2.gz ALFSNSHQIMKWOZ-VUDGCMKMSA-N 1 0 319.327 1.763 50 0 DDAARO Cc1cc(=O)c(C(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)c[nH]1 ZINC000952981876 721531564 /nfs/dbraw/zinc/53/15/64/721531564.db2.gz DUBMNLVKKLNIJC-HNNXBMFYSA-N 1 0 305.422 1.924 50 0 DDAARO Cc1cnc(CCNC(=O)c2ccnn2C)n1Cc1ccccc1 ZINC000581816992 736212366 /nfs/dbraw/zinc/21/23/66/736212366.db2.gz MLJQZAGJQKUCPG-UHFFFAOYSA-N 1 0 323.400 1.946 50 0 DDAARO CC(=O)OC12C[C@@H]3C[C@H](C1)CC(C(=O)OCC[NH+](C)C)(C3)C2 ZINC000005639407 748538590 /nfs/dbraw/zinc/53/85/90/748538590.db2.gz OIDDKCFINMRNKD-CBHXASLJSA-N 1 0 309.406 1.993 50 0 DDAARO Cc1nc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)nn1-c1ccc(F)cc1 ZINC000566093575 758018371 /nfs/dbraw/zinc/01/83/71/758018371.db2.gz 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/nfs/dbraw/zinc/37/78/96/185377896.db2.gz VEQAHHZXITXCJR-UHFFFAOYSA-N 1 0 315.421 1.440 50 0 DDAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000006919917 539029422 /nfs/dbraw/zinc/02/94/22/539029422.db2.gz NISVCRFPRQTHLV-GFCCVEGCSA-N 1 0 318.421 1.758 50 0 DDAARO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000090582500 185305265 /nfs/dbraw/zinc/30/52/65/185305265.db2.gz CXZOONVMFSPKLY-GHMZBOCLSA-N 1 0 304.437 1.102 50 0 DDAARO CCOc1cc(/C=C\C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000255136380 282236121 /nfs/dbraw/zinc/23/61/21/282236121.db2.gz NVSRIDDFAPRHRO-IQCBXXCUSA-N 1 0 304.390 1.927 50 0 DDAARO [NH3+]CCNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000095432000 185363488 /nfs/dbraw/zinc/36/34/88/185363488.db2.gz YSKFITNBIKSCEQ-QPJJXVBHSA-N 1 0 305.197 1.298 50 0 DDAARO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 ZINC000095435434 185364756 /nfs/dbraw/zinc/36/47/56/185364756.db2.gz KNBIXKXXWAEINC-UHFFFAOYSA-N 1 0 310.423 1.338 50 0 DDAARO C[NH+](C)C[C@H]1CN(Cc2nc(-c3cccs3)n[nH]2)CCO1 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Cc1cc(CNC(=O)C[C@@H]2COCC[NH2+]2)c(C(F)(F)F)o1 ZINC000072168419 191066892 /nfs/dbraw/zinc/06/68/92/191066892.db2.gz XMJJEWWKEHIGMB-SNVBAGLBSA-N 1 0 306.284 1.602 50 0 DDAARO CC(C)CN(CC[NH+](C)C)C(=O)c1cnc2ccccn2c1=O ZINC000072230582 191077896 /nfs/dbraw/zinc/07/78/96/191077896.db2.gz FXCWFRHDFLFDNB-UHFFFAOYSA-N 1 0 316.405 1.354 50 0 DDAARO Cc1nc(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cs1 ZINC000072418648 191156387 /nfs/dbraw/zinc/15/63/87/191156387.db2.gz FOGQMUPBFLCWNG-UHFFFAOYSA-N 1 0 316.430 1.660 50 0 DDAARO CC[C@@]1(O)CC[N@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1O ZINC000072439376 191166997 /nfs/dbraw/zinc/16/69/97/191166997.db2.gz OKSLAWDBECCAPB-IAGOWNOFSA-N 1 0 309.381 1.996 50 0 DDAARO Cc1cccc(CN2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000072480966 191180635 /nfs/dbraw/zinc/18/06/35/191180635.db2.gz MBJIAQANQNIRRX-QGZVFWFLSA-N 1 0 317.433 1.018 50 0 DDAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)C(=O)NCCCOC ZINC000072299767 353197188 /nfs/dbraw/zinc/19/71/88/353197188.db2.gz 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CC(C)[N@@H+]1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 ZINC000073334165 191304951 /nfs/dbraw/zinc/30/49/51/191304951.db2.gz XMGGEVAMGBWHQG-UHFFFAOYSA-N 1 0 318.421 1.140 50 0 DDAARO COCCN(CCOc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000584884464 354788393 /nfs/dbraw/zinc/78/83/93/354788393.db2.gz VDWNOLLHYLJJHS-HNNXBMFYSA-N 1 0 321.421 1.428 50 0 DDAARO C[C@@H](CCC(=O)NCc1cncn1C1CC1)[NH+]1CCOCC1 ZINC000584887403 354790266 /nfs/dbraw/zinc/79/02/66/354790266.db2.gz LYKJCHWTSMVHRV-ZDUSSCGKSA-N 1 0 306.410 1.335 50 0 DDAARO O=C(NC[C@H]1CCC[NH2+]1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000585136710 354812739 /nfs/dbraw/zinc/81/27/39/354812739.db2.gz QDOWAOOLUPVJPV-OLZOCXBDSA-N 1 0 316.323 1.477 50 0 DDAARO O=C(/C=C/c1c(F)cccc1F)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000585136350 354812981 /nfs/dbraw/zinc/81/29/81/354812981.db2.gz BKDJXVLIEZSHLD-NNNHXZLVSA-N 1 0 310.344 1.551 50 0 DDAARO COc1ccccc1N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000585140562 354814047 /nfs/dbraw/zinc/81/40/47/354814047.db2.gz HAMPAZPJWFCNIL-UHFFFAOYSA-N 1 0 301.394 1.582 50 0 DDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cn[nH]n3)CC2)o1 ZINC000584896714 354797341 /nfs/dbraw/zinc/79/73/41/354797341.db2.gz YPADCEOVUXYBRB-UHFFFAOYSA-N 1 0 303.366 1.348 50 0 DDAARO CCN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000073514311 191321791 /nfs/dbraw/zinc/32/17/91/191321791.db2.gz OOWZKPXKTSGEDV-WBVHZDCISA-N 1 0 323.481 1.620 50 0 DDAARO COc1cccc(C[NH2+]CCCSc2nnnn2C)c1OC ZINC000004993814 181186572 /nfs/dbraw/zinc/18/65/72/181186572.db2.gz RLZFACBIZQNBCM-UHFFFAOYSA-N 1 0 323.422 1.499 50 0 DDAARO Cc1ccc(N2C[C@H](NC(=O)NCC[NH+](C)C)CC2=O)cc1C ZINC000005187763 181215249 /nfs/dbraw/zinc/21/52/49/181215249.db2.gz ZTPDWEWNBOUCQG-CQSZACIVSA-N 1 0 318.421 1.270 50 0 DDAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(F)c(C)cc1F ZINC000237280331 202215114 /nfs/dbraw/zinc/21/51/14/202215114.db2.gz XDMWWRNQDUZLPD-SNVBAGLBSA-N 1 0 304.362 1.646 50 0 DDAARO C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccccc1N(C)C ZINC000089581230 299277668 /nfs/dbraw/zinc/27/76/68/299277668.db2.gz 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[NH3+]CCS[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000020436111 182217001 /nfs/dbraw/zinc/21/70/01/182217001.db2.gz JKHIARRWOKWBAV-SNVBAGLBSA-N 1 0 302.758 1.803 50 0 DDAARO Cc1ncc(C[N@@H+]2CCC[C@H](Cn3cc(CO)nn3)C2)s1 ZINC000020602252 182237019 /nfs/dbraw/zinc/23/70/19/182237019.db2.gz VNSOEHRWWZAAPL-LBPRGKRZSA-N 1 0 307.423 1.448 50 0 DDAARO CCC[NH+]1CCN(C(=O)[C@@H](C)N2Cc3ccccc3C2=O)CC1 ZINC000020925396 182254225 /nfs/dbraw/zinc/25/42/25/182254225.db2.gz OVRYFVWFEUICJP-CQSZACIVSA-N 1 0 315.417 1.585 50 0 DDAARO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC000020941648 182255764 /nfs/dbraw/zinc/25/57/64/182255764.db2.gz GKOQJMWCTGGDTJ-CYBMUJFWSA-N 1 0 310.369 1.249 50 0 DDAARO CN(C)CC[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022037982 182305319 /nfs/dbraw/zinc/30/53/19/182305319.db2.gz XJFHZRGHSSKKEH-UHFFFAOYSA-N 1 0 301.293 1.098 50 0 DDAARO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC[N@H+](C)CC2)c1 ZINC000040161495 183041084 /nfs/dbraw/zinc/04/10/84/183041084.db2.gz 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184110372 /nfs/dbraw/zinc/11/03/72/184110372.db2.gz VENQUHDCIARQCD-ZDUSSCGKSA-N 1 0 305.378 1.651 50 0 DDAARO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccc(F)cc1 ZINC000058299037 184102439 /nfs/dbraw/zinc/10/24/39/184102439.db2.gz XYALLSVIVFXJGG-GJZGRUSLSA-N 1 0 318.396 1.505 50 0 DDAARO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CNc3ccnn3C2)c1 ZINC000058309880 184103805 /nfs/dbraw/zinc/10/38/05/184103805.db2.gz CMELOYSFWITLGK-HUUCEWRRSA-N 1 0 316.405 1.263 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](CO)Cc1ccccc1)CN2 ZINC000058329510 184106313 /nfs/dbraw/zinc/10/63/13/184106313.db2.gz XLBCXJRCWRQPLY-IRXDYDNUSA-N 1 0 314.433 1.674 50 0 DDAARO Cc1c(CC(=O)N(C)C2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000269125866 207260771 /nfs/dbraw/zinc/26/07/71/207260771.db2.gz DVGKBGDPLSWZPN-UHFFFAOYSA-N 1 0 313.405 1.329 50 0 DDAARO Cn1nnnc1SCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000065374375 184331221 /nfs/dbraw/zinc/33/12/21/184331221.db2.gz GBTPAJSBWKZXPL-CQSZACIVSA-N 1 0 318.450 1.166 50 0 DDAARO 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CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234948 406874874 /nfs/dbraw/zinc/87/48/74/406874874.db2.gz CIIWGBCSNFYUPW-GJZGRUSLSA-N 1 0 305.426 1.706 50 0 DDAARO CC(C)c1nnc2n1C[C@H](C[NH2+]CCCN1CCCC1=O)CC2 ZINC000072252990 406874974 /nfs/dbraw/zinc/87/49/74/406874974.db2.gz QIPAEDAZGNPEIB-AWEZNQCLSA-N 1 0 319.453 1.566 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)c1 ZINC000072253173 406875137 /nfs/dbraw/zinc/87/51/37/406875137.db2.gz IRKIVTDNFUQKOE-HNNXBMFYSA-N 1 0 312.417 1.755 50 0 DDAARO C[NH2+]Cc1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000020230911 406886588 /nfs/dbraw/zinc/88/65/88/406886588.db2.gz BNLNDKXJNWJYKP-UHFFFAOYSA-N 1 0 306.410 1.858 50 0 DDAARO CCCNc1nc2c(cnn2C)c(N2CC[NH+](CC)CC2)n1 ZINC000021930047 406889487 /nfs/dbraw/zinc/88/94/87/406889487.db2.gz DGAUFBDFUWAKGY-UHFFFAOYSA-N 1 0 303.414 1.327 50 0 DDAARO COc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000036103403 406976129 /nfs/dbraw/zinc/97/61/29/406976129.db2.gz QFOCBVRADLNBSS-UHFFFAOYSA-N 1 0 318.417 1.880 50 0 DDAARO Cc1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc(N)[nH+]1 ZINC000032593207 406950329 /nfs/dbraw/zinc/95/03/29/406950329.db2.gz MBQSJKSNLAGLCZ-UHFFFAOYSA-N 1 0 315.352 1.355 50 0 DDAARO CCCC[NH+]1CCN(CC(=O)Nc2cccc3nonc32)CC1 ZINC000032578573 406950778 /nfs/dbraw/zinc/95/07/78/406950778.db2.gz GTUJWOBYATUMJW-UHFFFAOYSA-N 1 0 317.393 1.579 50 0 DDAARO CCOC(=O)c1nnc2ccccc2c1N1CC[NH+](CC)CC1 ZINC000076018347 406950907 /nfs/dbraw/zinc/95/09/07/406950907.db2.gz HFOZPJCSAVKDBK-UHFFFAOYSA-N 1 0 314.389 1.948 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C[C@H]1[NH+](C)C ZINC000076051111 406952086 /nfs/dbraw/zinc/95/20/86/406952086.db2.gz NAQLPLVWDKHJIC-MEBBXXQBSA-N 1 0 317.364 1.689 50 0 DDAARO COc1cc(C[NH2+][C@@H]2CCCCNC2=O)cc2c1OCCO2 ZINC000045613390 407046497 /nfs/dbraw/zinc/04/64/97/407046497.db2.gz BHIBYRGUKOQMJA-GFCCVEGCSA-N 1 0 306.362 1.225 50 0 DDAARO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C3CCCC3)CC2)on1 ZINC000045768774 407048744 /nfs/dbraw/zinc/04/87/44/407048744.db2.gz HNSMRYFGLIIHJN-CYBMUJFWSA-N 1 0 306.410 1.870 50 0 DDAARO CSc1nc(C)cc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000077439573 406991106 /nfs/dbraw/zinc/99/11/06/406991106.db2.gz FBYLOFOPINDZGS-AWEZNQCLSA-N 1 0 322.478 1.932 50 0 DDAARO C[C@@H](CNS(=O)(=O)N1CCCCCC1)C[NH+]1CCCCC1 ZINC000040156757 407001908 /nfs/dbraw/zinc/00/19/08/407001908.db2.gz JGEQOJRHSYXWKX-HNNXBMFYSA-N 1 0 317.499 1.819 50 0 DDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(C)(C)c1cccs1 ZINC000079349613 407054170 /nfs/dbraw/zinc/05/41/70/407054170.db2.gz ZKRFSSNZAHDWSE-CYBMUJFWSA-N 1 0 324.494 1.571 50 0 DDAARO COc1ccc(Br)c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245758 407130130 /nfs/dbraw/zinc/13/01/30/407130130.db2.gz OXGKYDHZKUMVCK-SECBINFHSA-N 1 0 313.195 1.879 50 0 DDAARO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179892 407137219 /nfs/dbraw/zinc/13/72/19/407137219.db2.gz WEGIZTOWBODOHK-CABCVRRESA-N 1 0 303.406 1.735 50 0 DDAARO Cc1nn(C)c(C)c1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000089505815 407137843 /nfs/dbraw/zinc/13/78/43/407137843.db2.gz PPVJQYOMPHGDNH-HNNXBMFYSA-N 1 0 319.453 1.459 50 0 DDAARO COCCC[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000051508047 407140117 /nfs/dbraw/zinc/14/01/17/407140117.db2.gz RNQJVKPZCFVBAE-UHFFFAOYSA-N 1 0 308.422 1.858 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000089741031 407146311 /nfs/dbraw/zinc/14/63/11/407146311.db2.gz YENLXJYFLBNFCX-UHFFFAOYSA-N 1 0 320.437 1.386 50 0 DDAARO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)ccc1Br ZINC000052093357 407147260 /nfs/dbraw/zinc/14/72/60/407147260.db2.gz NCLCTLLWVJRQLE-SECBINFHSA-N 1 0 319.224 1.398 50 0 DDAARO c1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000052534066 407152844 /nfs/dbraw/zinc/15/28/44/407152844.db2.gz ZFXFGUXYCCWUIV-UHFFFAOYSA-N 1 0 320.400 1.985 50 0 DDAARO CC(C)Oc1ccc(CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089939071 407160762 /nfs/dbraw/zinc/16/07/62/407160762.db2.gz CUKGJWUQCFEDHX-HNNXBMFYSA-N 1 0 319.449 1.726 50 0 DDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 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COC[C@@H](C)[NH+]1CCN(c2nc(N)c3ccccc3n2)CC1 ZINC000095978516 407220057 /nfs/dbraw/zinc/22/00/57/407220057.db2.gz BGYHXQPXYSIRHD-GFCCVEGCSA-N 1 0 301.394 1.369 50 0 DDAARO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096415505 407262069 /nfs/dbraw/zinc/26/20/69/407262069.db2.gz ZUVXXMMRGKMCNZ-HZPDHXFCSA-N 1 0 319.453 1.420 50 0 DDAARO OC[C@H]1CCCC[N@@H+]1CCNc1nccc(-c2cccnc2)n1 ZINC000096130486 407239507 /nfs/dbraw/zinc/23/95/07/407239507.db2.gz YXCBUPHIMGZSBG-OAHLLOKOSA-N 1 0 313.405 1.797 50 0 DDAARO O=C(Cc1cscn1)N1CC[NH+](C2CCSCC2)CC1 ZINC000096150816 407240121 /nfs/dbraw/zinc/24/01/21/407240121.db2.gz RPFGZSVOPCPTAF-UHFFFAOYSA-N 1 0 311.476 1.725 50 0 DDAARO O=C(C[N@H+]1CCC[C@H]1CCCO)NCc1cc(F)cc(F)c1 ZINC000096424258 407264041 /nfs/dbraw/zinc/26/40/41/407264041.db2.gz NXNAPKLLKAKJJD-HNNXBMFYSA-N 1 0 312.360 1.818 50 0 DDAARO C[N@H+](CCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)C1CC1 ZINC000096467162 407269730 /nfs/dbraw/zinc/26/97/30/407269730.db2.gz MBFANLYDDRMJBO-GJZGRUSLSA-N 1 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/nfs/dbraw/zinc/27/92/86/407279286.db2.gz KMZXYNVIGVNEBZ-ZIAGYGMSSA-N 1 0 307.413 1.638 50 0 DDAARO CC(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067713570 407281097 /nfs/dbraw/zinc/28/10/97/407281097.db2.gz LWNRDSSUWGOHHX-GOSISDBHSA-N 1 0 304.434 1.971 50 0 DDAARO CCC(=O)N(C)[C@@H](C)C1=CCC[N@H+](CCC(=O)N2CCCC2)C1 ZINC000067741106 407282204 /nfs/dbraw/zinc/28/22/04/407282204.db2.gz MBJALELKXLYFPB-HNNXBMFYSA-N 1 0 321.465 1.888 50 0 DDAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000067757025 407283024 /nfs/dbraw/zinc/28/30/24/407283024.db2.gz KCDRXBSZYLHKAN-UHFFFAOYSA-N 1 0 318.425 1.321 50 0 DDAARO CCCS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000067770690 407283542 /nfs/dbraw/zinc/28/35/42/407283542.db2.gz FWJPPBYUBROFCO-AWEZNQCLSA-N 1 0 311.451 1.541 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C\c3ccncc3)CC2)CCO1 ZINC000097312405 407291614 /nfs/dbraw/zinc/29/16/14/407291614.db2.gz KUIWKXMRVSHKHH-GWQWAINWSA-N 1 0 315.417 1.807 50 0 DDAARO C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC=C2)C[C@H](O)C1 ZINC000097572167 407299561 /nfs/dbraw/zinc/29/95/61/407299561.db2.gz NUSXVMHXIBTPIP-OAHLLOKOSA-N 1 0 300.358 1.111 50 0 DDAARO CCc1nc(-c2cccc(NC(=O)N[C@@H]3CCC[NH2+]C3)c2)n[nH]1 ZINC000097575037 407300165 /nfs/dbraw/zinc/30/01/65/407300165.db2.gz SMZJYFKOAYUIEY-CYBMUJFWSA-N 1 0 314.393 1.908 50 0 DDAARO Cc1nc2ccccc2nc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106844377 407362893 /nfs/dbraw/zinc/36/28/93/407362893.db2.gz NTKQGNOMCSQPSI-UONOGXRCSA-N 1 0 314.433 1.825 50 0 DDAARO CCCS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000125440301 407388608 /nfs/dbraw/zinc/38/86/08/407388608.db2.gz KCDLVHYJQDRLOY-LBPRGKRZSA-N 1 0 310.419 1.304 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000125794870 407397820 /nfs/dbraw/zinc/39/78/20/407397820.db2.gz LSJKFXVWTKAWAY-JTQLQIEISA-N 1 0 310.781 1.474 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(N2CCCC2=O)CC1 ZINC000195542358 407463692 /nfs/dbraw/zinc/46/36/92/407463692.db2.gz PCUVRMTXCCGVSU-BPUTZDHNSA-N 1 0 319.449 1.521 50 0 DDAARO O=C(NCCN1CCOCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215790917 407490627 /nfs/dbraw/zinc/49/06/27/407490627.db2.gz WPVKGHLUFKUAMK-QGZVFWFLSA-N 1 0 317.433 1.216 50 0 DDAARO CSc1cccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c1 ZINC000216545825 407498134 /nfs/dbraw/zinc/49/81/34/407498134.db2.gz WCJQIWHGYCTCPX-IRXDYDNUSA-N 1 0 321.490 1.201 50 0 DDAARO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000170606663 407451648 /nfs/dbraw/zinc/45/16/48/407451648.db2.gz QEOYVABSRSURDM-UHFFFAOYSA-N 1 0 306.378 1.927 50 0 DDAARO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000221777767 407551559 /nfs/dbraw/zinc/55/15/59/407551559.db2.gz DAWLINGTOBVJGQ-NQBHXWOUSA-N 1 0 308.344 1.775 50 0 DDAARO CC[N@@H+]1C[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@@H](OC)C1 ZINC000220362039 407541583 /nfs/dbraw/zinc/54/15/83/407541583.db2.gz RTQKLQHVJGIGKM-GJZGRUSLSA-N 1 0 306.381 1.693 50 0 DDAARO COCCN1CCC[C@@H](NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000229559211 407666551 /nfs/dbraw/zinc/66/65/51/407666551.db2.gz DHOJKQYMXJPUSU-RCBBPTIPSA-N 1 0 324.446 1.688 50 0 DDAARO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C(N)=O)CC1 ZINC000229677570 407667777 /nfs/dbraw/zinc/66/77/77/407667777.db2.gz GDWGYQZXSFKWNA-COMQUAJESA-N 1 0 309.454 1.513 50 0 DDAARO O=C(N1CCc2ccc(F)cc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261937213 407678461 /nfs/dbraw/zinc/67/84/61/407678461.db2.gz MJEZCTIRJGATAF-UHFFFAOYSA-N 1 0 314.364 1.690 50 0 DDAARO COc1cc(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)on1 ZINC000230207921 407686061 /nfs/dbraw/zinc/68/60/61/407686061.db2.gz XMDCTOKPJQLETG-HIFRSBDPSA-N 1 0 321.421 1.997 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2-c2nc(C)no2)C1 ZINC000179001275 407687521 /nfs/dbraw/zinc/68/75/21/407687521.db2.gz DJMSQINYKVIMMN-GFCCVEGCSA-N 1 0 300.362 1.727 50 0 DDAARO CN(C)c1ncccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000229422689 407661555 /nfs/dbraw/zinc/66/15/55/407661555.db2.gz GSSKUQWHGAZJFJ-HUUCEWRRSA-N 1 0 302.422 1.846 50 0 DDAARO COCc1nc(NCCc2cnccn2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000240825160 407907295 /nfs/dbraw/zinc/90/72/95/407907295.db2.gz QNNVGJDYKFDDLI-TXEJJXNPSA-N 1 0 314.393 1.272 50 0 DDAARO Cc1cc(C)n(-c2cncc(N3CC[N@@H+]4CCCC[C@H]4C3)n2)n1 ZINC000241776902 407913235 /nfs/dbraw/zinc/91/32/35/407913235.db2.gz RTLBRVCNNODPOX-HNNXBMFYSA-N 1 0 312.421 1.954 50 0 DDAARO [NH3+][C@H]1C[C@H](c2cc(NCCCn3ccnn3)nc(C3CC3)n2)C1 ZINC000244899813 407945504 /nfs/dbraw/zinc/94/55/04/407945504.db2.gz ZQTCJTUQZCEABP-JOCQHMNTSA-N 1 0 313.409 1.652 50 0 DDAARO Cc1cccc([C@H](CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)NC(N)=O)c1 ZINC000154070731 407966509 /nfs/dbraw/zinc/96/65/09/407966509.db2.gz KVYGSCPEXVEYLD-GUTXKFCHSA-N 1 0 318.421 1.303 50 0 DDAARO Cc1n[nH]c(C)c1CCCNC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000244701057 407931788 /nfs/dbraw/zinc/93/17/88/407931788.db2.gz JZINOMKOGAGANK-CYBMUJFWSA-N 1 0 322.453 1.576 50 0 DDAARO C[NH+](C)[C@H]1CCN(CC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000244842326 407941412 /nfs/dbraw/zinc/94/14/12/407941412.db2.gz UONLJULHFXCZSH-INIZCTEOSA-N 1 0 317.433 1.519 50 0 DDAARO CCN(C[C@@H]1CC[N@@H+]([C@@H]2CCCCNC2=O)C1)CC(F)(F)F ZINC000119279919 408028703 /nfs/dbraw/zinc/02/87/03/408028703.db2.gz WQYOMJYKSHEPDI-QWHCGFSZSA-N 1 0 321.387 1.861 50 0 DDAARO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000263240777 408071539 /nfs/dbraw/zinc/07/15/39/408071539.db2.gz OOYCGSKHMJCUJK-DRZSPHRISA-N 1 0 308.344 1.810 50 0 DDAARO COCCC[NH+]1CCC(Nc2nccn3nc(C)cc23)CC1 ZINC000274671310 408489213 /nfs/dbraw/zinc/48/92/13/408489213.db2.gz LINBIZBMRZKUNV-UHFFFAOYSA-N 1 0 303.410 1.951 50 0 DDAARO CN(CC1(CO)CCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000252535667 408804272 /nfs/dbraw/zinc/80/42/72/408804272.db2.gz GOJKPUVOPBSXST-TXEJJXNPSA-N 1 0 305.426 1.252 50 0 DDAARO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)COc1ccccc1)CCO2 ZINC000280253631 409279117 /nfs/dbraw/zinc/27/91/17/409279117.db2.gz CBFZOAWVRMINOK-ZOBUZTSGSA-N 1 0 307.390 1.306 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)C1 ZINC000408159219 164247024 /nfs/dbraw/zinc/24/70/24/164247024.db2.gz OLSIUTNBCOLWQN-KGLIPLIRSA-N 1 0 323.437 1.455 50 0 DDAARO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000354402716 409829454 /nfs/dbraw/zinc/82/94/54/409829454.db2.gz HZHXTHZGHOCGPI-JQHSSLGASA-N 1 0 304.434 1.638 50 0 DDAARO Cc1nc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cs1 ZINC000299772894 410616813 /nfs/dbraw/zinc/61/68/13/410616813.db2.gz ARRFKXNLLAJLTN-UHFFFAOYSA-N 1 0 302.403 1.731 50 0 DDAARO COc1cccc(C(=O)NC[C@H]2CCOC2)c1OCCC[NH3+] ZINC000299772439 410617613 /nfs/dbraw/zinc/61/76/13/410617613.db2.gz XVZCGYVGCGYNFA-GFCCVEGCSA-N 1 0 308.378 1.189 50 0 DDAARO Cc1nonc1N1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000299791686 410630208 /nfs/dbraw/zinc/63/02/08/410630208.db2.gz FBWYISDJFFJCGU-JKSUJKDBSA-N 1 0 319.453 1.765 50 0 DDAARO [NH3+]CCCOc1ccc(C(=O)NCCc2ncc[nH]2)cc1Cl ZINC000299801728 410638522 /nfs/dbraw/zinc/63/85/22/410638522.db2.gz YNUFMKZKYVWUMA-UHFFFAOYSA-N 1 0 322.796 1.763 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000131768949 196197960 /nfs/dbraw/zinc/19/79/60/196197960.db2.gz AFZUVRGIIYETDL-OAHLLOKOSA-N 1 0 301.390 1.420 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000132862874 196291847 /nfs/dbraw/zinc/29/18/47/196291847.db2.gz RGMFCAZPSYJLPP-LBPRGKRZSA-N 1 0 302.353 1.835 50 0 DDAARO CC(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000044891268 418430097 /nfs/dbraw/zinc/43/00/97/418430097.db2.gz DKFXWFYOAZNUAO-ZDUSSCGKSA-N 1 0 324.450 1.225 50 0 DDAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000044894476 418430196 /nfs/dbraw/zinc/43/01/96/418430196.db2.gz BUBFWVPNVOZYAH-AWEZNQCLSA-N 1 0 301.346 1.409 50 0 DDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNS(=O)(=O)N2CCCCCC2)C1 ZINC000046035348 418444417 /nfs/dbraw/zinc/44/44/17/418444417.db2.gz PCYMSFDGNRXSEY-GASCZTMLSA-N 1 0 317.499 1.675 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000178983360 221888081 /nfs/dbraw/zinc/88/80/81/221888081.db2.gz OGFACGGVGKTIHD-NSHDSACASA-N 1 0 303.341 1.088 50 0 DDAARO CCN1CCc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2C1 ZINC000065549583 418486719 /nfs/dbraw/zinc/48/67/19/418486719.db2.gz UBNIVIYCFSNYER-CQSZACIVSA-N 1 0 301.438 1.529 50 0 DDAARO CC[C@@H]1CN(Cc2nc3c(cccc3F)[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000107320780 418498597 /nfs/dbraw/zinc/49/85/97/418498597.db2.gz XLMHVTGJYRYODE-QWHCGFSZSA-N 1 0 320.412 1.979 50 0 DDAARO C[C@@H]([NH2+]CC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1 ZINC000170077912 418517913 /nfs/dbraw/zinc/51/79/13/418517913.db2.gz OFTQESRSTLXAEL-CYBMUJFWSA-N 1 0 308.397 1.940 50 0 DDAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 ZINC000048304253 418469836 /nfs/dbraw/zinc/46/98/36/418469836.db2.gz PKVCBYUZSGWVBT-GHMZBOCLSA-N 1 0 318.377 1.294 50 0 DDAARO O[C@@H](Cn1cccn1)CN1CCC[C@H]1c1noc(C2CC2)n1 ZINC000257365964 418567817 /nfs/dbraw/zinc/56/78/17/418567817.db2.gz DKUYGZHODWOQQE-OLZOCXBDSA-N 1 0 303.366 1.342 50 0 DDAARO CC(C)(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)N1CCOCC1 ZINC000216204996 418560141 /nfs/dbraw/zinc/56/01/41/418560141.db2.gz FXKNLVPMVJROET-OAHLLOKOSA-N 1 0 304.438 1.767 50 0 DDAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2c[nH]nc2C)n1 ZINC000220196800 418561243 /nfs/dbraw/zinc/56/12/43/418561243.db2.gz KPDFQTDEGAQFIL-UHFFFAOYSA-N 1 0 316.409 1.496 50 0 DDAARO CCn1cnnc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000240454678 222210871 /nfs/dbraw/zinc/21/08/71/222210871.db2.gz FYBCIBQYVVXDRT-CHWSQXEVSA-N 1 0 308.430 1.360 50 0 DDAARO CC(C)C[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000408514311 418806292 /nfs/dbraw/zinc/80/62/92/418806292.db2.gz DXEOBZVBAXTKTM-HNNXBMFYSA-N 1 0 309.454 1.480 50 0 DDAARO CCc1nnc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)[nH]1 ZINC000426401715 419460524 /nfs/dbraw/zinc/46/05/24/419460524.db2.gz KFGQMFJNGPKBJW-SECBINFHSA-N 1 0 307.427 1.255 50 0 DDAARO [NH3+]Cc1nnc(SC[C@@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426652867 419525053 /nfs/dbraw/zinc/52/50/53/419525053.db2.gz IRFQRCCTTLKVLT-SNVBAGLBSA-N 1 0 308.382 1.994 50 0 DDAARO Cc1ccccc1CNC(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426395891 228566992 /nfs/dbraw/zinc/56/69/92/228566992.db2.gz BMGXWUMOWWGXHI-INIZCTEOSA-N 1 0 312.417 1.975 50 0 DDAARO Cc1nnc(CSc2nnc(C3CC[NH2+]CC3)n2C)s1 ZINC000426733995 228598818 /nfs/dbraw/zinc/59/88/18/228598818.db2.gz JSKHQQUEXBRXDR-UHFFFAOYSA-N 1 0 310.452 1.734 50 0 DDAARO Cc1nnc([C@H](C)NC(=O)c2cc(C)ccc2OCC[NH3+])[nH]1 ZINC000426584560 419514762 /nfs/dbraw/zinc/51/47/62/419514762.db2.gz BXJHOELIQGRTJL-JTQLQIEISA-N 1 0 303.366 1.250 50 0 DDAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000299789869 229444642 /nfs/dbraw/zinc/44/46/42/229444642.db2.gz AMYATDVFXOPAEP-UHFFFAOYSA-N 1 0 317.389 1.219 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000493658921 420909616 /nfs/dbraw/zinc/90/96/16/420909616.db2.gz MEHGFKFEZZFHQN-GGYYMTRRSA-N 1 0 301.390 1.385 50 0 DDAARO COC(=O)[C@@H](C)[N@H+](C[C@@H]1CCO[C@H]1c1ccnn1C)C1CCC1 ZINC000487980075 421061103 /nfs/dbraw/zinc/06/11/03/421061103.db2.gz RLWLAFPGBIMMKH-DVOMOZLQSA-N 1 0 321.421 1.914 50 0 DDAARO CC(C)C[N@H+](C1CN(C(=O)c2cnccn2)C1)C1CCOCC1 ZINC000575315277 422289363 /nfs/dbraw/zinc/28/93/63/422289363.db2.gz YVNZCZMCFGZAEA-UHFFFAOYSA-N 1 0 318.421 1.438 50 0 DDAARO C[NH+]1CCN(c2ncnc(-c3cc(F)cc(F)c3)c2N)CC1 ZINC000096282124 273901501 /nfs/dbraw/zinc/90/15/01/273901501.db2.gz IXWKGNNYLYBIKQ-UHFFFAOYSA-N 1 0 305.332 1.756 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@H]1C[NH3+] ZINC000237425688 274289022 /nfs/dbraw/zinc/28/90/22/274289022.db2.gz LEDUSHRFEDYLJS-BMIGLBTASA-N 1 0 317.364 1.867 50 0 DDAARO C[NH+](C)[C@H](CNc1ccc2nnnn2n1)c1ccc(F)cc1 ZINC000052486083 276866892 /nfs/dbraw/zinc/86/68/92/276866892.db2.gz HTESDJVIMWBUSM-GFCCVEGCSA-N 1 0 301.329 1.373 50 0 DDAARO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH3+])C2)c1Br ZINC000236814653 278068982 /nfs/dbraw/zinc/06/89/82/278068982.db2.gz ZXDJCGMUURBOTA-SSDOTTSWSA-N 1 0 301.188 1.469 50 0 DDAARO CC(=O)NC1(NC(C)=O)CC[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004011809 278086026 /nfs/dbraw/zinc/08/60/26/278086026.db2.gz MMURFEHJWKZFRH-LRDDRELGSA-N 1 0 303.406 1.668 50 0 DDAARO CC(C)c1nn(C)cc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000048367244 278096990 /nfs/dbraw/zinc/09/69/90/278096990.db2.gz NUWZHZHZKZIVHB-AWEZNQCLSA-N 1 0 309.377 1.990 50 0 DDAARO CC[C@@H]1CCc2nc(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000333250829 280338393 /nfs/dbraw/zinc/33/83/93/280338393.db2.gz CKTSXVSDDAPAOJ-USWWRNFRSA-N 1 0 324.450 1.454 50 0 DDAARO CC[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000096447225 288264134 /nfs/dbraw/zinc/26/41/34/288264134.db2.gz BRRMUZJKUYWDQS-OCCSQVGLSA-N 1 0 309.414 1.476 50 0 DDAARO CC(C)N(CC[NH+](C)C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000151945014 281709391 /nfs/dbraw/zinc/70/93/91/281709391.db2.gz ZVJUVYOBXLAZCF-UHFFFAOYSA-N 1 0 321.450 1.956 50 0 DDAARO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247122891 292679466 /nfs/dbraw/zinc/67/94/66/292679466.db2.gz JSWVKTRJGRJAEC-JYJNAYRXSA-N 1 0 319.449 1.481 50 0 DDAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000044556421 295266050 /nfs/dbraw/zinc/26/60/50/295266050.db2.gz JNZVKYDBXADSIS-SNVBAGLBSA-N 1 0 306.790 1.981 50 0 DDAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC1=CCCC1 ZINC000170602222 300244838 /nfs/dbraw/zinc/24/48/38/300244838.db2.gz ULCYWYJJBOFOMS-AWEZNQCLSA-N 1 0 309.454 1.973 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)CC2 ZINC000069894967 302681754 /nfs/dbraw/zinc/68/17/54/302681754.db2.gz NAIKSBPXWLGZHM-HOCLYGCPSA-N 1 0 313.405 1.320 50 0 DDAARO COCC[N@@H+]1CC[C@@H](C(=O)NCc2nc3c(cccc3C)o2)C1 ZINC000534578885 334288578 /nfs/dbraw/zinc/28/85/78/334288578.db2.gz HAZSYDNMXBEYOK-CYBMUJFWSA-N 1 0 317.389 1.721 50 0 DDAARO CC[NH+]1CCN(C(C)(C)CNC(=O)N(C)Cc2ccoc2)CC1 ZINC000534633509 334308387 /nfs/dbraw/zinc/30/83/87/334308387.db2.gz YWOHQJBMIWNZTC-UHFFFAOYSA-N 1 0 322.453 1.837 50 0 DDAARO CCN1CCC(CNC(=O)[C@@]2(C)CCCCO2)([NH+](C)C)CC1 ZINC000534635558 334308932 /nfs/dbraw/zinc/30/89/32/334308932.db2.gz JZVPXRMKIATIJH-MRXNPFEDSA-N 1 0 311.470 1.478 50 0 DDAARO Cc1cc(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)ccc1F ZINC000534674640 334321943 /nfs/dbraw/zinc/32/19/43/334321943.db2.gz MDMUKZZBSMWZES-HOTGVXAUSA-N 1 0 306.381 1.656 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000048236255 337362479 /nfs/dbraw/zinc/36/24/79/337362479.db2.gz FEHYTNKPHWDLTC-ZDUSSCGKSA-N 1 0 321.490 1.993 50 0 DDAARO Cc1cc([C@H]2CCC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)[nH]n1 ZINC000084111305 483990770 /nfs/dbraw/zinc/99/07/70/483990770.db2.gz MSUXANOHJCBKRM-LBPRGKRZSA-N 1 0 312.377 1.434 50 0 DDAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)o1 ZINC000084258980 483994228 /nfs/dbraw/zinc/99/42/28/483994228.db2.gz HPRIMZGPCFSETR-HNNXBMFYSA-N 1 0 316.405 1.388 50 0 DDAARO OCCC1([NH2+]CCN2CCCc3ccccc32)CCOCC1 ZINC000090564433 484013268 /nfs/dbraw/zinc/01/32/68/484013268.db2.gz VYYVMEXVACQQOG-UHFFFAOYSA-N 1 0 304.434 1.960 50 0 DDAARO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH+]1CC(n2cccn2)C1 ZINC000667464973 484615166 /nfs/dbraw/zinc/61/51/66/484615166.db2.gz HKDTZGXGGRLCBC-DZGCQCFKSA-N 1 0 301.394 1.641 50 0 DDAARO O=C1CN([C@H]2CCNC(=O)CC2)CCN1CCc1ccccc1 ZINC000670441131 484831093 /nfs/dbraw/zinc/83/10/93/484831093.db2.gz UIXXHYGKQMSQOU-MRXNPFEDSA-N 1 0 315.417 1.042 50 0 DDAARO O[C@H]1CN(CCOc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000670456840 484842590 /nfs/dbraw/zinc/84/25/90/484842590.db2.gz YDHRWFXBFXRAHX-HOTGVXAUSA-N 1 0 310.825 1.860 50 0 DDAARO O=S(=O)(CC1CCCC1)NCCC[N@H+]1CCCC[C@H]1CO ZINC000670461916 484845507 /nfs/dbraw/zinc/84/55/07/484845507.db2.gz MLDZENFAWXUNLD-HNNXBMFYSA-N 1 0 318.483 1.333 50 0 DDAARO CCOC(=O)N1CCC([NH+]2CCC(c3ncon3)CC2)CC1 ZINC000670467451 484846781 /nfs/dbraw/zinc/84/67/81/484846781.db2.gz OIVCAXGHHRPSPR-UHFFFAOYSA-N 1 0 308.382 1.870 50 0 DDAARO O=C(NCCCn1ccccc1=O)C1([NH+]2CCCC2)CCCC1 ZINC000670471447 484849946 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ZINC000020450746 696070506 /nfs/dbraw/zinc/07/05/06/696070506.db2.gz OEBZCMJUHATRIS-UHFFFAOYSA-N 1 0 318.377 1.362 50 0 DDAARO C[C@@H]([NH2+]CCc1[nH]nc2c1CCCC2)C(=O)Nc1nccs1 ZINC000065405416 696345043 /nfs/dbraw/zinc/34/50/43/696345043.db2.gz WNGHRLOJODIJQN-SNVBAGLBSA-N 1 0 319.434 1.904 50 0 DDAARO CN1CCO[C@@H](CCNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000067755952 696363946 /nfs/dbraw/zinc/36/39/46/696363946.db2.gz HZKXGAQJOOHQSR-INIZCTEOSA-N 1 0 323.481 1.622 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@H](CCNC(=O)C2=NNC(=O)CC2)C1 ZINC000067842343 696365018 /nfs/dbraw/zinc/36/50/18/696365018.db2.gz HAZGHRPIBYBCPK-CYBMUJFWSA-N 1 0 308.426 1.127 50 0 DDAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1ccc(-c2cn[nH]c2)cc1 ZINC000097604061 696605858 /nfs/dbraw/zinc/60/58/58/696605858.db2.gz OZXNXTPWPUGJGI-JSGCOSHPSA-N 1 0 303.341 1.898 50 0 DDAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]2C1=O ZINC000169751593 697343695 /nfs/dbraw/zinc/34/36/95/697343695.db2.gz KUVZQACNVONYBX-GASCZTMLSA-N 1 0 302.374 1.058 50 0 DDAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)CC2 ZINC000169757388 697344103 /nfs/dbraw/zinc/34/41/03/697344103.db2.gz PADXTWGSLHFSSC-UHFFFAOYSA-N 1 0 316.380 1.576 50 0 DDAARO CCCNC(=O)N[C@@H]1CN(c2ccccn2)C[C@H]1C[NH+](C)C ZINC000169790813 697346762 /nfs/dbraw/zinc/34/67/62/697346762.db2.gz KINDZCWJAVEZSV-ZIAGYGMSSA-N 1 0 305.426 1.157 50 0 DDAARO Cc1nc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)sc1C ZINC000262333952 698464790 /nfs/dbraw/zinc/46/47/90/698464790.db2.gz SSTZLJKNQFMMSB-ZIAGYGMSSA-N 1 0 322.478 1.845 50 0 DDAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NCc1nc[nH]n1 ZINC000426535651 699155533 /nfs/dbraw/zinc/15/55/33/699155533.db2.gz QVGIEUIEQYYVMH-UHFFFAOYSA-N 1 0 300.366 1.092 50 0 DDAARO O=C(c1c(Cl)cccc1Cl)N1CC[NH2+][C@H](CCO)C1 ZINC000710624171 699254429 /nfs/dbraw/zinc/25/44/29/699254429.db2.gz YIWXPVXSECUAON-SECBINFHSA-N 1 0 303.189 1.790 50 0 DDAARO COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834594013 707091467 /nfs/dbraw/zinc/09/14/67/707091467.db2.gz 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/nfs/dbraw/zinc/14/50/89/182145089.db2.gz UGLNALCWPKTKBO-NSHDSACASA-N 1 0 304.209 1.726 50 0 DDAARO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccc2c(c1)CCC2 ZINC000019853232 182157611 /nfs/dbraw/zinc/15/76/11/182157611.db2.gz NEGMMCSXXRTWFM-UHFFFAOYSA-N 1 0 317.433 1.114 50 0 DDAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(C)CC2)c2ccccc12 ZINC000019879261 182160000 /nfs/dbraw/zinc/16/00/00/182160000.db2.gz MDCXXVFGZPWVSQ-MRXNPFEDSA-N 1 0 301.434 1.866 50 0 DDAARO OCCN1CC[NH+](C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000020437699 182217815 /nfs/dbraw/zinc/21/78/15/182217815.db2.gz UHSMWXUVPODDJE-UHFFFAOYSA-N 1 0 321.440 1.400 50 0 DDAARO COc1ccc(C2=NO[C@@H](C(=O)NCCC[NH+](C)C)C2)cc1 ZINC000020617038 182239398 /nfs/dbraw/zinc/23/93/98/182239398.db2.gz XVCCLQNXXKYRGQ-OAHLLOKOSA-N 1 0 305.378 1.256 50 0 DDAARO COc1cc(CNCC[NH+](C)C)c(Cl)cc1O[C@H](C)CO ZINC000020638750 182240793 /nfs/dbraw/zinc/24/07/93/182240793.db2.gz WYYYNDYWAPANEX-LLVKDONJSA-N 1 0 316.829 1.759 50 0 DDAARO CC[NH+](CC)[C@H]1CCN(c2nccc(-c3cnn(C)c3)n2)C1 ZINC000023251031 182354852 /nfs/dbraw/zinc/35/48/52/182354852.db2.gz CCQUOBGEXPNQHK-AWEZNQCLSA-N 1 0 300.410 1.798 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nccs1)c1cccs1 ZINC000023106656 182347450 /nfs/dbraw/zinc/34/74/50/182347450.db2.gz HPSDNEHKGPWKSK-VIFPVBQESA-N 1 0 324.431 1.562 50 0 DDAARO CC(C)(C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127497 182349305 /nfs/dbraw/zinc/34/93/05/182349305.db2.gz VUZSDLNYJHQOIP-UHFFFAOYSA-N 1 0 321.421 1.523 50 0 DDAARO OCC[NH2+]CCNCc1ccc(OCc2ccccc2)cc1 ZINC000023468976 182361576 /nfs/dbraw/zinc/36/15/76/182361576.db2.gz XNYXHNHZXPIJQQ-UHFFFAOYSA-N 1 0 300.402 1.937 50 0 DDAARO COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC[N@H+](C)CC2)c1 ZINC000040161494 183041235 /nfs/dbraw/zinc/04/12/35/183041235.db2.gz SHHDOOCSLXOKLW-ZDUSSCGKSA-N 1 0 321.421 1.668 50 0 DDAARO O=C(Nc1nncs1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000040553526 183100702 /nfs/dbraw/zinc/10/07/02/183100702.db2.gz ZXKFAFWCHMOBRP-UHFFFAOYSA-N 1 0 318.406 1.719 50 0 DDAARO C[C@H](CNS(=O)(=O)N1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000105579308 194112765 /nfs/dbraw/zinc/11/27/65/194112765.db2.gz SQASRMZDNXWZQU-LSDHHAIUSA-N 1 0 317.499 1.960 50 0 DDAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1F ZINC000110796913 194359518 /nfs/dbraw/zinc/35/95/18/194359518.db2.gz GIIAFROEKGUPRU-QMMMGPOBSA-N 1 0 308.325 1.382 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1Cn1cncn1)CN2 ZINC000058370926 184109780 /nfs/dbraw/zinc/10/97/80/184109780.db2.gz WRMYBPGLAOLLOK-CQSZACIVSA-N 1 0 323.404 1.354 50 0 DDAARO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000058401537 184113244 /nfs/dbraw/zinc/11/32/44/184113244.db2.gz RXFUUQREZFIATR-RYUDHWBXSA-N 1 0 307.394 1.970 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000061524279 184172299 /nfs/dbraw/zinc/17/22/99/184172299.db2.gz VRGQRLCFXGTFCR-UHFFFAOYSA-N 1 0 307.463 1.604 50 0 DDAARO CCCCS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000064945935 184306630 /nfs/dbraw/zinc/30/66/30/184306630.db2.gz XFKJVDZUDRNFFC-UHFFFAOYSA-N 1 0 314.451 1.847 50 0 DDAARO Cc1nccn1-c1cc(CNC(=O)NC[C@H](C)[NH+](C)C)ccn1 ZINC000065417383 184341403 /nfs/dbraw/zinc/34/14/03/184341403.db2.gz FNTNBOHLESUDCE-LBPRGKRZSA-N 1 0 316.409 1.325 50 0 DDAARO CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2CO)c1 ZINC000065528486 184360305 /nfs/dbraw/zinc/36/03/05/184360305.db2.gz IVONPDIBPRXJDU-HNNXBMFYSA-N 1 0 305.378 1.430 50 0 DDAARO CC(C)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000065607689 184371908 /nfs/dbraw/zinc/37/19/08/184371908.db2.gz MAVGZKQPXNCXBA-UHFFFAOYSA-N 1 0 300.406 1.697 50 0 DDAARO CCn1cc(C2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)cn1 ZINC000065519842 184358622 /nfs/dbraw/zinc/35/86/22/184358622.db2.gz YYWXCQKCWYDXPH-UHFFFAOYSA-N 1 0 300.406 1.981 50 0 DDAARO COc1ccc(Cn2cc(C(=O)N3CCC[C@@H]([NH3+])C3)cn2)cc1 ZINC000158243196 197255627 /nfs/dbraw/zinc/25/56/27/197255627.db2.gz XYVKHRINRDGZIK-OAHLLOKOSA-N 1 0 314.389 1.503 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000157907043 197225574 /nfs/dbraw/zinc/22/55/74/197225574.db2.gz FFGKWUIFNXIIGP-CZUORRHYSA-N 1 0 321.396 1.149 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000153881945 196917550 /nfs/dbraw/zinc/91/75/50/196917550.db2.gz QTJVWKNOEZBQIB-IXDOHACOSA-N 1 0 319.449 1.762 50 0 DDAARO O=C(c1ccc[nH]c1=S)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030881479 134677637 /nfs/dbraw/zinc/67/76/37/134677637.db2.gz CDBKXWSJILLMHH-UHFFFAOYSA-N 1 0 300.387 1.728 50 0 DDAARO CN(CC(=O)NCCCc1ccncc1)C1CC[NH+](C)CC1 ZINC000222562066 407558830 /nfs/dbraw/zinc/55/88/30/407558830.db2.gz QDELFYNBGVSBSE-UHFFFAOYSA-N 1 0 304.438 1.156 50 0 DDAARO OCC[NH2+]CCCOc1ccc(I)cc1 ZINC000002903627 406703838 /nfs/dbraw/zinc/70/38/38/406703838.db2.gz UINVMJYKLYDKFV-UHFFFAOYSA-N 1 0 321.158 1.642 50 0 DDAARO COCC[N@H+](C)CCCNC(=O)CCc1cccc(F)c1F ZINC000069350311 406699519 /nfs/dbraw/zinc/69/95/19/406699519.db2.gz FTMSIQVUIMHHOE-UHFFFAOYSA-N 1 0 314.376 1.982 50 0 DDAARO CC(=O)N1CCC(C[N@@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000069558656 406733482 /nfs/dbraw/zinc/73/34/82/406733482.db2.gz PMQYXCKFZRTUKY-QGZVFWFLSA-N 1 0 319.453 1.618 50 0 DDAARO C[NH+](C)CCCNC(=S)N1CCN(c2ccccc2)CC1 ZINC000005939899 406736351 /nfs/dbraw/zinc/73/63/51/406736351.db2.gz DKLLULDWCUYQNM-UHFFFAOYSA-N 1 0 306.479 1.635 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000006844616 406741155 /nfs/dbraw/zinc/74/11/55/406741155.db2.gz VZQGSYZTTNUZSN-LLVKDONJSA-N 1 0 304.362 1.727 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)CN2 ZINC000069598824 406743691 /nfs/dbraw/zinc/74/36/91/406743691.db2.gz IFXKHLHTPNASMS-CYBMUJFWSA-N 1 0 300.362 1.486 50 0 DDAARO C[C@H](O)C[NH+]1CCN(CCCc2nc3ccccc3o2)CC1 ZINC000069627783 406745548 /nfs/dbraw/zinc/74/55/48/406745548.db2.gz ACOAWIUWGFJRDW-AWEZNQCLSA-N 1 0 303.406 1.759 50 0 DDAARO COCC[NH+]1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069627694 406745936 /nfs/dbraw/zinc/74/59/36/406745936.db2.gz CVYWGOJEEVPHEE-ZDUSSCGKSA-N 1 0 316.405 1.248 50 0 DDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CCCS(=O)(=O)N(C)C)c1 ZINC000069776707 406772031 /nfs/dbraw/zinc/77/20/31/406772031.db2.gz NDVIINWQCJRMGM-OLZOCXBDSA-N 1 0 302.444 1.012 50 0 DDAARO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000069490004 406723131 /nfs/dbraw/zinc/72/31/31/406723131.db2.gz DQISXWOEADLYJB-HOTGVXAUSA-N 1 0 300.406 1.366 50 0 DDAARO C[C@@H](O)C[NH+]1CCC(CN[C@H](C)c2nc(C3CC3)no2)CC1 ZINC000069511561 406725489 /nfs/dbraw/zinc/72/54/89/406725489.db2.gz UFFDBCISTWLMAM-VXGBXAGGSA-N 1 0 308.426 1.690 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069779067 406771108 /nfs/dbraw/zinc/77/11/08/406771108.db2.gz NSLCFDDGANMAED-LJISPDSOSA-N 1 0 308.426 1.366 50 0 DDAARO C[N@@H+]1CCC[C@@H](CSc2nnc(SCC(N)=O)s2)C1 ZINC000069538417 406730499 /nfs/dbraw/zinc/73/04/99/406730499.db2.gz HXEAYOQLCJTCLL-MRVPVSSYSA-N 1 0 318.493 1.549 50 0 DDAARO c1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c2c(c1)OCCCO2 ZINC000069872843 406783976 /nfs/dbraw/zinc/78/39/76/406783976.db2.gz VILAICZRRIFTIL-MRXNPFEDSA-N 1 0 318.417 1.801 50 0 DDAARO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccnn2C(C)C)c1 ZINC000069814190 406775975 /nfs/dbraw/zinc/77/59/75/406775975.db2.gz PJONVEAJPMQHJX-CYBMUJFWSA-N 1 0 304.398 1.586 50 0 DDAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000008328501 406784879 /nfs/dbraw/zinc/78/48/79/406784879.db2.gz JRDSCURZUMXSHH-JSGCOSHPSA-N 1 0 310.419 1.489 50 0 DDAARO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1C ZINC000069879006 406785912 /nfs/dbraw/zinc/78/59/12/406785912.db2.gz HMIJIDSSMVVYTL-AWEZNQCLSA-N 1 0 319.449 1.617 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 ZINC000069875888 406786303 /nfs/dbraw/zinc/78/63/03/406786303.db2.gz UDLQGGXVZRCCHR-HNNXBMFYSA-N 1 0 311.389 1.332 50 0 DDAARO COC(=O)NCCCC(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000069949031 406794212 /nfs/dbraw/zinc/79/42/12/406794212.db2.gz CZOBNYFYVOLKNU-CYBMUJFWSA-N 1 0 316.398 1.023 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)CC2 ZINC000070020948 406805011 /nfs/dbraw/zinc/80/50/11/406805011.db2.gz QVUWAGTUZIRFMB-HZPDHXFCSA-N 1 0 316.405 1.069 50 0 DDAARO O=C(Cc1ccccc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008737936 406795907 /nfs/dbraw/zinc/79/59/07/406795907.db2.gz PJQVYLNRMWPQOK-UHFFFAOYSA-N 1 0 310.401 1.616 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000010332665 406821194 /nfs/dbraw/zinc/82/11/94/406821194.db2.gz FGJODSUWKUNOJN-OAHLLOKOSA-N 1 0 321.396 1.603 50 0 DDAARO CCOc1ccc(C[NH2+]CCOCCO)cc1Br ZINC000010436453 406821994 /nfs/dbraw/zinc/82/19/94/406821994.db2.gz AFOQOUILSJVDCT-UHFFFAOYSA-N 1 0 318.211 1.946 50 0 DDAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000070975395 406829646 /nfs/dbraw/zinc/82/96/46/406829646.db2.gz MYGZQTYIPSKDRN-VIFPVBQESA-N 1 0 308.325 1.817 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000071847354 406852315 /nfs/dbraw/zinc/85/23/15/406852315.db2.gz CAKPUPUDPHFLSA-NHYWBVRUSA-N 1 0 316.405 1.908 50 0 DDAARO CC[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000071867419 406856172 /nfs/dbraw/zinc/85/61/72/406856172.db2.gz ZIHNEIQAUUULAV-RDJZCZTQSA-N 1 0 303.450 1.932 50 0 DDAARO Cc1cc(C)n(C2CN(C[C@@H](O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000071880792 406861668 /nfs/dbraw/zinc/86/16/68/406861668.db2.gz GUAFYPQAJMKEIZ-KRWDZBQOSA-N 1 0 306.454 1.449 50 0 DDAARO O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000071897229 406863679 /nfs/dbraw/zinc/86/36/79/406863679.db2.gz UFHGGPJZRZHNMK-UHFFFAOYSA-N 1 0 324.384 1.816 50 0 DDAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000072267972 406875683 /nfs/dbraw/zinc/87/56/83/406875683.db2.gz ZCHWJZGVPALUSJ-ZIAGYGMSSA-N 1 0 323.462 1.332 50 0 DDAARO Cc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3C2)c1 ZINC000014543646 406876634 /nfs/dbraw/zinc/87/66/34/406876634.db2.gz HCPPDVAOUYDSMB-JYJNAYRXSA-N 1 0 313.401 1.059 50 0 DDAARO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000074201601 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CC[C@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000078766599 407044891 /nfs/dbraw/zinc/04/48/91/407044891.db2.gz GBFCJQYMCAKNTJ-ZBFHGGJFSA-N 1 0 311.470 1.212 50 0 DDAARO CCc1oc(C(=O)N2CCOC[C@H](O)C2)cc1C[NH+](CC)CC ZINC000077323722 406984519 /nfs/dbraw/zinc/98/45/19/406984519.db2.gz JSZSIECDLLJNFJ-CQSZACIVSA-N 1 0 324.421 1.517 50 0 DDAARO O=C(C[NH2+]CCCN1CCOCC1)Nc1cccc(Cl)c1 ZINC000037387689 406988395 /nfs/dbraw/zinc/98/83/95/406988395.db2.gz MYVGVCCXGPAGMY-UHFFFAOYSA-N 1 0 311.813 1.590 50 0 DDAARO COc1cccc(N2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000039975187 407001823 /nfs/dbraw/zinc/00/18/23/407001823.db2.gz DFUGZRISHZTHQG-UHFFFAOYSA-N 1 0 305.422 1.149 50 0 DDAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)N(C)C ZINC000040511227 407004037 /nfs/dbraw/zinc/00/40/37/407004037.db2.gz KJQRWBUTCLDQQJ-CYBMUJFWSA-N 1 0 301.394 1.738 50 0 DDAARO O=C(c1ccnc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048326015 407095021 /nfs/dbraw/zinc/09/50/21/407095021.db2.gz VZEPTVMJXSXBFG-UHFFFAOYSA-N 1 0 323.824 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DDAARO Cc1cnn(CCC[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000244673707 407930818 /nfs/dbraw/zinc/93/08/18/407930818.db2.gz HUFZOWYYDSALND-UHFFFAOYSA-N 1 0 300.410 1.584 50 0 DDAARO O[C@H]1C[C@@H](c2cc(N3CCC([NH+]4CCOCC4)CC3)ncn2)C1 ZINC000244748466 407935114 /nfs/dbraw/zinc/93/51/14/407935114.db2.gz OHYUVIWLQZRGAK-OTVXOJSOSA-N 1 0 318.421 1.016 50 0 DDAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1c(Cl)cnn1C)CC2 ZINC000189166585 408000105 /nfs/dbraw/zinc/00/01/05/408000105.db2.gz ZSWDAHBLJDWJDX-JTQLQIEISA-N 1 0 308.817 1.893 50 0 DDAARO CN(Cc1ccnn1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121227105 408168067 /nfs/dbraw/zinc/16/80/67/408168067.db2.gz GBQHLUREFNHMHE-UHFFFAOYSA-N 1 0 302.426 1.213 50 0 DDAARO CSC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000190713216 408307914 /nfs/dbraw/zinc/30/79/14/408307914.db2.gz PWPQPVGRZSCBJS-KBPBESRZSA-N 1 0 312.479 1.766 50 0 DDAARO CN(CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Cl)cn1 ZINC000247991398 408525012 /nfs/dbraw/zinc/52/50/12/408525012.db2.gz LNRLYMDDEXGOTO-AWEZNQCLSA-N 1 0 322.840 1.868 50 0 DDAARO CCN(C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C(C)C ZINC000162654088 408723213 /nfs/dbraw/zinc/72/32/13/408723213.db2.gz VVCPSCAJPHGVNM-CQSZACIVSA-N 1 0 310.442 1.251 50 0 DDAARO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCN1c1ccc2nncn2n1 ZINC000252475402 408795646 /nfs/dbraw/zinc/79/56/46/408795646.db2.gz ZTOQIZWEFPNNAU-ZIAGYGMSSA-N 1 0 316.409 1.204 50 0 DDAARO C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000252498893 408799776 /nfs/dbraw/zinc/79/97/76/408799776.db2.gz RPEJZLWLVARGFO-LLVKDONJSA-N 1 0 307.419 1.173 50 0 DDAARO Cc1n[nH]c(C)c1CCN(C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000252536672 408803267 /nfs/dbraw/zinc/80/32/67/408803267.db2.gz JDCCHXRTHOOUEN-BETUJISGSA-N 1 0 317.441 1.034 50 0 DDAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000167397185 408817177 /nfs/dbraw/zinc/81/71/77/408817177.db2.gz WZZBZUCCMNUDSP-MRXNPFEDSA-N 1 0 317.433 1.330 50 0 DDAARO CC(C)n1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)n1 ZINC000276363870 408843374 /nfs/dbraw/zinc/84/33/74/408843374.db2.gz BFDQFGKXIIILGU-JKSUJKDBSA-N 1 0 318.425 1.821 50 0 DDAARO C[C@@H]([NH3+])CC(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000261888979 163722031 /nfs/dbraw/zinc/72/20/31/163722031.db2.gz VWEMRPFLGFEXMD-SSDOTTSWSA-N 1 0 302.277 1.370 50 0 DDAARO O=C1CCCN1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000298715724 410364166 /nfs/dbraw/zinc/36/41/66/410364166.db2.gz MBUJNQODMOAOGJ-UHFFFAOYSA-N 1 0 301.434 1.469 50 0 DDAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cccn3cnnc23)C1 ZINC000299758219 410607325 /nfs/dbraw/zinc/60/73/25/410607325.db2.gz MWAORIMRLCAGJW-CYBMUJFWSA-N 1 0 301.394 1.533 50 0 DDAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1noc(-c2ccccc2)n1 ZINC000299763966 410611392 /nfs/dbraw/zinc/61/13/92/410611392.db2.gz ICRPIVNJQUNOMR-OCCSQVGLSA-N 1 0 312.373 1.837 50 0 DDAARO CN1CCC([NH+]2CCC(CNC(=O)c3cncnc3)CC2)CC1 ZINC000299765134 410612751 /nfs/dbraw/zinc/61/27/51/410612751.db2.gz WTAUDJRPYPOJLB-UHFFFAOYSA-N 1 0 317.437 1.013 50 0 DDAARO CN(C)CC[NH2+]Cc1cc2cc3c(cc2nc1N(C)C)OCO3 ZINC000299774932 410617264 /nfs/dbraw/zinc/61/72/64/410617264.db2.gz JPTXOETVULUTSQ-UHFFFAOYSA-N 1 0 316.405 1.681 50 0 DDAARO CN(C)C(=O)NCC(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000299784175 410623467 /nfs/dbraw/zinc/62/34/67/410623467.db2.gz FZGOGFHOHXCHAE-AWEZNQCLSA-N 1 0 306.410 1.067 50 0 DDAARO CSc1ccccc1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000299784059 410625711 /nfs/dbraw/zinc/62/57/11/410625711.db2.gz WHRMASJIJCIAIX-CQSZACIVSA-N 1 0 319.474 1.870 50 0 DDAARO Cc1cc(C(=O)N2CC([NH+]3CCCCC3)C2)c(=O)n(C)c1C ZINC000299791870 410632409 /nfs/dbraw/zinc/63/24/09/410632409.db2.gz COAQEOSTVYFHDP-UHFFFAOYSA-N 1 0 303.406 1.312 50 0 DDAARO CC(C)CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCCc1ccccc1F ZINC000299799413 410638461 /nfs/dbraw/zinc/63/84/61/410638461.db2.gz RNLPYYAJTPKCOC-HOCLYGCPSA-N 1 0 307.413 1.542 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cc(-c2ccccc2F)no1 ZINC000299802008 410639380 /nfs/dbraw/zinc/63/93/80/410639380.db2.gz 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DDAARO CC(C)OCCS(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000252581644 222246554 /nfs/dbraw/zinc/24/65/54/222246554.db2.gz HBQZUTCAFFUGLE-KKUMJFAQSA-N 1 0 316.467 1.157 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000257365428 222251183 /nfs/dbraw/zinc/25/11/83/222251183.db2.gz LQMTZHSNKRRHRA-DOMZBBRYSA-N 1 0 322.430 1.574 50 0 DDAARO CC1(C)OC[C@H](C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)O1 ZINC000408523871 418808965 /nfs/dbraw/zinc/80/89/65/418808965.db2.gz VSPRIQSUFGDZKU-OLZOCXBDSA-N 1 0 306.410 1.555 50 0 DDAARO CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C)c2)C1 ZINC000408523116 418809202 /nfs/dbraw/zinc/80/92/02/418809202.db2.gz HBIIIULHBDRLSV-INIZCTEOSA-N 1 0 303.406 1.069 50 0 DDAARO Cc1c[nH]c([C@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])n1 ZINC000426739604 419544400 /nfs/dbraw/zinc/54/44/00/419544400.db2.gz DLUNYDGCSLEXEA-JTQLQIEISA-N 1 0 306.341 1.686 50 0 DDAARO Cc1cc(CNC(=O)N2CC[NH+](C3CCSCC3)CC2)on1 ZINC000426544970 419501620 /nfs/dbraw/zinc/50/16/20/419501620.db2.gz GTVZYCDFJZLJND-UHFFFAOYSA-N 1 0 324.450 1.706 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000299747191 229388527 /nfs/dbraw/zinc/38/85/27/229388527.db2.gz CIOPEECUAPNUKD-GWCFXTLKSA-N 1 0 317.393 1.725 50 0 DDAARO Cc1ccc(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)n1C(F)F ZINC000299792347 229449315 /nfs/dbraw/zinc/44/93/15/229449315.db2.gz FDBHNQDKATZWMZ-LBPRGKRZSA-N 1 0 315.364 1.842 50 0 DDAARO CCn1nnc(C)c1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000449034873 420940056 /nfs/dbraw/zinc/94/00/56/420940056.db2.gz FGWXZSHPQATTSP-UHFFFAOYSA-N 1 0 309.458 1.397 50 0 DDAARO O=C(/C=C\c1c(F)cccc1F)N1CCC[C@H]([NH2+]CCO)C1 ZINC000606445120 422460036 /nfs/dbraw/zinc/46/00/36/422460036.db2.gz BKDJXVLIEZSHLD-DGMVEKRQSA-N 1 0 310.344 1.551 50 0 DDAARO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@@H]1CCCO1 ZINC000230153070 276081291 /nfs/dbraw/zinc/08/12/91/276081291.db2.gz QVJYTARYBNTZQY-ARFHVFGLSA-N 1 0 310.438 1.657 50 0 DDAARO CCCOCCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082106117 276266991 /nfs/dbraw/zinc/26/69/91/276266991.db2.gz OVTLFFYZUCGODJ-UHFFFAOYSA-N 1 0 303.406 1.994 50 0 DDAARO CCC[C@@H]1NC(=O)[C@H]2C[N@H+](CC3CCCCC3)CCN2C1=O ZINC000014744208 276278146 /nfs/dbraw/zinc/27/81/46/276278146.db2.gz CPWYVYXWSAOSNP-LSDHHAIUSA-N 1 0 307.438 1.378 50 0 DDAARO CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000006432285 277038571 /nfs/dbraw/zinc/03/85/71/277038571.db2.gz MZLSXDXRTFGYQK-GOEBONIOSA-N 1 0 321.421 1.693 50 0 DDAARO CN(C(=O)[C@H](c1ccccc1F)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000179063541 288902497 /nfs/dbraw/zinc/90/24/97/288902497.db2.gz SKYPMVOCZFSOQH-CJNGLKHVSA-N 1 0 321.396 1.019 50 0 DDAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cc1ccc(F)cc1F)C2 ZINC000534588479 334293294 /nfs/dbraw/zinc/29/32/94/334293294.db2.gz GLWXXJBDBOICCG-MSRIBSCDSA-N 1 0 316.373 1.464 50 0 DDAARO CCN1CCC(CNC(=O)[C@]2(C)CCCCO2)([NH+](C)C)CC1 ZINC000534635557 334308950 /nfs/dbraw/zinc/30/89/50/334308950.db2.gz JZVPXRMKIATIJH-INIZCTEOSA-N 1 0 311.470 1.478 50 0 DDAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000585094178 483922219 /nfs/dbraw/zinc/92/22/19/483922219.db2.gz MZIQTDYXCRYNHK-RRFJBIMHSA-N 1 0 300.443 1.665 50 0 DDAARO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000083858992 483985329 /nfs/dbraw/zinc/98/53/29/483985329.db2.gz GHNVOZNGXVHFIT-QZTJIDSGSA-N 1 0 314.433 1.845 50 0 DDAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000090466012 484010928 /nfs/dbraw/zinc/01/09/28/484010928.db2.gz DRLHXZJLZNIOHA-ZIAGYGMSSA-N 1 0 316.467 1.334 50 0 DDAARO COc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1 ZINC000670419529 484819987 /nfs/dbraw/zinc/81/99/87/484819987.db2.gz FZKFTCJYEUIFCU-CYBMUJFWSA-N 1 0 314.451 1.544 50 0 DDAARO Cc1nc2c(c(C)n1)C[C@H](C[NH+]1CCC(c3cc[nH]n3)CC1)O2 ZINC000670464177 484846624 /nfs/dbraw/zinc/84/66/24/484846624.db2.gz ZHDIHPMSSQRQEO-CQSZACIVSA-N 1 0 313.405 2.000 50 0 DDAARO CC(=O)N1CCC[N@H+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000328597189 526561840 /nfs/dbraw/zinc/56/18/40/526561840.db2.gz FKFXQFFISALTFF-SFHVURJKSA-N 1 0 317.433 1.446 50 0 DDAARO CCOc1cccc2cc([C@H](C)NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)oc21 ZINC000299749845 528699741 /nfs/dbraw/zinc/69/97/41/528699741.db2.gz LWXPOIGYKCZDOX-UHTWSYAYSA-N 1 0 318.373 1.732 50 0 DDAARO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC000299753961 529099003 /nfs/dbraw/zinc/09/90/03/529099003.db2.gz AHKBBOFJBDCWKX-GXFFZTMASA-N 1 0 301.387 1.228 50 0 DDAARO CCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058344085 535306111 /nfs/dbraw/zinc/30/61/11/535306111.db2.gz XTFVNLGXSICZEJ-MRXNPFEDSA-N 1 0 316.449 1.852 50 0 DDAARO [NH3+][C@@H](C(=O)Nc1nncn1Cc1ccccc1)c1ccccc1 ZINC000170046746 545648057 /nfs/dbraw/zinc/64/80/57/545648057.db2.gz YDZGIIGGMXFMMB-OAHLLOKOSA-N 1 0 307.357 1.965 50 0 DDAARO CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3F)CN2C1=O ZINC000014732487 696056073 /nfs/dbraw/zinc/05/60/73/696056073.db2.gz QCSWNAUSVGSUOJ-QEJZJMRPSA-N 1 0 319.380 1.039 50 0 DDAARO OC1(c2ccc(Cl)cc2)CC[NH+](CCn2cnnn2)CC1 ZINC000032587081 696125061 /nfs/dbraw/zinc/12/50/61/696125061.db2.gz HOPCLKUAUNTYPS-UHFFFAOYSA-N 1 0 307.785 1.310 50 0 DDAARO COc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cn1cccn1 ZINC000065395789 696344920 /nfs/dbraw/zinc/34/49/20/696344920.db2.gz UYDBJMXJVJATOD-INIZCTEOSA-N 1 0 309.373 1.898 50 0 DDAARO Fc1ccc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)cc1Cl ZINC000072128177 696393178 /nfs/dbraw/zinc/39/31/78/696393178.db2.gz BKKATVPWWUDYSO-OAHLLOKOSA-N 1 0 314.788 1.670 50 0 DDAARO CCOCc1nc([C@H](C)n2cncn2)n(C2CC[NH+](C)CC2)n1 ZINC000096165933 696603888 /nfs/dbraw/zinc/60/38/88/696603888.db2.gz VHJOOLMSCHEITL-LBPRGKRZSA-N 1 0 319.413 1.282 50 0 DDAARO Cn1cc(/C=C\C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000103416417 696614116 /nfs/dbraw/zinc/61/41/16/696614116.db2.gz DPXDCDYOPXYKRR-WSNITJDQSA-N 1 0 304.419 1.914 50 0 DDAARO C[NH2+]C[C@H](O)CN(C)C(=O)c1sc(C)cc1OC(F)F ZINC000888096524 709212243 /nfs/dbraw/zinc/21/22/43/709212243.db2.gz HEYDPQIFWKVTIU-QMMMGPOBSA-N 1 0 308.350 1.310 50 0 DDAARO Cc1ccc(S(=O)(=O)NCCC[NH2+][C@H]2CCSC2)cc1 ZINC000952969724 721529332 /nfs/dbraw/zinc/52/93/32/721529332.db2.gz OVCGQFZMFYXRAS-ZDUSSCGKSA-N 1 0 314.476 1.759 50 0 DDAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000952970886 721529794 /nfs/dbraw/zinc/52/97/94/721529794.db2.gz BKKXCARZTDZRNO-INIZCTEOSA-N 1 0 314.433 1.666 50 0 DDAARO CCCN1C[C@@H]([NH2+]Cc2cnc(-c3ccco3)nc2)CC1=O ZINC000952982451 721531718 /nfs/dbraw/zinc/53/17/18/721531718.db2.gz XFLHYUMDSQDAOP-ZDUSSCGKSA-N 1 0 300.362 1.837 50 0 DDAARO C[C@@H]1Oc2ccc(NC(=O)C3([NH3+])CCCC3)cc2N(C)C1=O ZINC000952983881 721531927 /nfs/dbraw/zinc/53/19/27/721531927.db2.gz RUGFRPZOOQXNKQ-JTQLQIEISA-N 1 0 303.362 1.640 50 0 DDAARO Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000828710993 759746690 /nfs/dbraw/zinc/74/66/90/759746690.db2.gz VBIVCZASNIPCMO-INIZCTEOSA-N 1 0 305.422 1.641 50 0 DDAARO CNC(=O)C[C@H]1CCOC2(CC[NH+](Cc3cccn3C)CC2)C1 ZINC000581785925 761702700 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COCC[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CN1C(=O)OC(C)(C)C ZINC000952877768 775628677 /nfs/dbraw/zinc/62/86/77/775628677.db2.gz VHAIITYLPCFZGP-UONOGXRCSA-N 1 0 324.425 1.534 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1COc1ccccc1)NC[C@@H]1CCCO1 ZINC000079100068 185158260 /nfs/dbraw/zinc/15/82/60/185158260.db2.gz SKVLEFCXHCVSAW-RDJZCZTQSA-N 1 0 318.417 1.825 50 0 DDAARO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000261954787 539275410 /nfs/dbraw/zinc/27/54/10/539275410.db2.gz NVEWZCAWGVPGBE-NSHDSACASA-N 1 0 308.357 1.145 50 0 DDAARO [NH3+][C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000096998708 185396020 /nfs/dbraw/zinc/39/60/20/185396020.db2.gz HLCSEWQUXXSEIG-QGZVFWFLSA-N 1 0 311.385 1.741 50 0 DDAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]C1CCC1 ZINC000014956609 190639640 /nfs/dbraw/zinc/63/96/40/190639640.db2.gz VSQZVYMUJKLKBR-QGZVFWFLSA-N 1 0 306.381 1.821 50 0 DDAARO COC(=O)[C@H](Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095466037 185371929 /nfs/dbraw/zinc/37/19/29/185371929.db2.gz 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/nfs/dbraw/zinc/01/79/36/183017936.db2.gz FLFOMOUVQDLSNP-GOSISDBHSA-N 1 0 320.481 1.930 50 0 DDAARO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(O)c2)CCCCC1 ZINC000040267317 183050082 /nfs/dbraw/zinc/05/00/82/183050082.db2.gz WUIQZVZBNGOLQI-UHFFFAOYSA-N 1 0 319.405 1.711 50 0 DDAARO C[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)n1cncn1 ZINC000040509350 183086292 /nfs/dbraw/zinc/08/62/92/183086292.db2.gz PGFNDEBFYRTKTM-CQSZACIVSA-N 1 0 313.405 1.404 50 0 DDAARO COc1cccc(COC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000040459163 183069584 /nfs/dbraw/zinc/06/95/84/183069584.db2.gz WMCBFFWSWCFASO-LZWOXQAQSA-N 1 0 309.406 1.682 50 0 DDAARO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)c12 ZINC000040555211 183101686 /nfs/dbraw/zinc/10/16/86/183101686.db2.gz IDQKHMDRZCRATQ-AWEZNQCLSA-N 1 0 315.421 1.655 50 0 DDAARO Cc1ccc2c(cnn2CCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000040769072 183131732 /nfs/dbraw/zinc/13/17/32/183131732.db2.gz NGYGIEOKTSXDQN-UHFFFAOYSA-N 1 0 300.406 1.945 50 0 DDAARO O=C([C@H]1C[NH2+]CCO1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000043709892 183382562 /nfs/dbraw/zinc/38/25/62/183382562.db2.gz XYZNZUWOPFZSSX-CQSZACIVSA-N 1 0 312.772 1.959 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(C)c2nc1C ZINC000044910888 183454960 /nfs/dbraw/zinc/45/49/60/183454960.db2.gz UTXJSXRWSLVZKQ-UHFFFAOYSA-N 1 0 303.410 1.657 50 0 DDAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(NC2CC2)nc1 ZINC000106642306 194239723 /nfs/dbraw/zinc/23/97/23/194239723.db2.gz UVYAYWHBQXKEMA-GJZGRUSLSA-N 1 0 316.405 1.249 50 0 DDAARO OCC[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000106772632 194250759 /nfs/dbraw/zinc/25/07/59/194250759.db2.gz UVWHUAYBJIAMKZ-HOCLYGCPSA-N 1 0 311.397 1.798 50 0 DDAARO COc1cccc([C@H](O)C[N@@H+]2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000110596744 194341472 /nfs/dbraw/zinc/34/14/72/194341472.db2.gz DLLBTSLQBYHHAW-DOTOQJQBSA-N 1 0 320.433 1.965 50 0 DDAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(F)cc1 ZINC000057879061 184060672 /nfs/dbraw/zinc/06/06/72/184060672.db2.gz PRPGRQZOHWXVMN-MRXNPFEDSA-N 1 0 319.380 1.710 50 0 DDAARO C[N@H+](CC(=O)Nc1ccccc1C(N)=O)C1Cc2ccccc2C1 ZINC000058174833 184085075 /nfs/dbraw/zinc/08/50/75/184085075.db2.gz KGHCYKIDCQGWGQ-UHFFFAOYSA-N 1 0 323.396 1.823 50 0 DDAARO C[N@H+](CCNS(=O)(=O)Cc1ccccc1Cl)C1CC1 ZINC000060379030 184147449 /nfs/dbraw/zinc/14/74/49/184147449.db2.gz RHZWKOFEQMHJHG-UHFFFAOYSA-N 1 0 302.827 1.854 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cncnc2)nc1 ZINC000065178016 184313824 /nfs/dbraw/zinc/31/38/24/184313824.db2.gz PQPWJSUGCHZDKS-UHFFFAOYSA-N 1 0 311.389 1.754 50 0 DDAARO CN(Cc1nccs1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065371397 184330203 /nfs/dbraw/zinc/33/02/03/184330203.db2.gz MHBAYVMTTIXVJP-NSHDSACASA-N 1 0 320.422 1.006 50 0 DDAARO CC(=O)N1CCC([N@H+](C)Cc2nc(-c3cccnc3)no2)CC1 ZINC000065373595 184330577 /nfs/dbraw/zinc/33/05/77/184330577.db2.gz DNWGFRGFHJOYSS-UHFFFAOYSA-N 1 0 315.377 1.574 50 0 DDAARO Cc1cc(C)n2ncc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)c2n1 ZINC000065384110 184332800 /nfs/dbraw/zinc/33/28/00/184332800.db2.gz YLYOVJHYMXEPSC-OAHLLOKOSA-N 1 0 315.421 1.835 50 0 DDAARO C[N@@H+]1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000065440335 184345569 /nfs/dbraw/zinc/34/55/69/184345569.db2.gz OMNGZWLHGASEIE-UHFFFAOYSA-N 1 0 321.377 1.141 50 0 DDAARO CC(=O)Nc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000065490481 184353640 /nfs/dbraw/zinc/35/36/40/184353640.db2.gz UUVMJNRRBSAKEU-OAHLLOKOSA-N 1 0 305.378 1.030 50 0 DDAARO C[N@H+](C[C@@H]1CCCN(CCO)C1)C1CSCCSC1 ZINC000065403853 184337473 /nfs/dbraw/zinc/33/74/73/184337473.db2.gz CDTZYKVJPLCMRN-ZDUSSCGKSA-N 1 0 304.525 1.471 50 0 DDAARO C[C@@H]([NH2+]Cc1ccc2nonc2c1)C(=O)Nc1nccs1 ZINC000065506526 184356899 /nfs/dbraw/zinc/35/68/99/184356899.db2.gz CPSKUSWMVDFDHD-MRVPVSSYSA-N 1 0 303.347 1.796 50 0 DDAARO COc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc2c1OCO2 ZINC000066087752 184388360 /nfs/dbraw/zinc/38/83/60/184388360.db2.gz HWEUIOSZCPUKQR-UHFFFAOYSA-N 1 0 303.318 1.941 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000158358106 197265214 /nfs/dbraw/zinc/26/52/14/197265214.db2.gz JMWARPSIUMXWFL-GFCCVEGCSA-N 1 0 302.378 1.129 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000157828360 197218996 /nfs/dbraw/zinc/21/89/96/197218996.db2.gz VVXHIRNXOASLFZ-GOEBONIOSA-N 1 0 304.390 1.808 50 0 DDAARO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178121137 306689041 /nfs/dbraw/zinc/68/90/41/306689041.db2.gz VHXYZLLPGAYCQB-AWEZNQCLSA-N 1 0 313.401 1.962 50 0 DDAARO Cc1noc(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000156657684 197131584 /nfs/dbraw/zinc/13/15/84/197131584.db2.gz PRBAYEAFLYCWEL-GFCCVEGCSA-N 1 0 310.398 1.910 50 0 DDAARO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000188759055 256591730 /nfs/dbraw/zinc/59/17/30/256591730.db2.gz VRKNLDSQPZHTBY-HNNXBMFYSA-N 1 0 305.422 1.973 50 0 DDAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000237624156 257238271 /nfs/dbraw/zinc/23/82/71/257238271.db2.gz WJVVQFKEJQQSPU-CMPLNLGQSA-N 1 0 303.341 1.358 50 0 DDAARO Cc1ccc(N2CCC(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)CC2)nc1 ZINC000237640617 257238728 /nfs/dbraw/zinc/23/87/28/257238728.db2.gz NCPTZBPRMULCPW-HOCLYGCPSA-N 1 0 316.449 1.945 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000237453606 257239796 /nfs/dbraw/zinc/23/97/96/257239796.db2.gz VTHFADIGRLVPNC-GWCFXTLKSA-N 1 0 300.362 1.265 50 0 DDAARO COc1cc(Br)ccc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000121961531 195382620 /nfs/dbraw/zinc/38/26/20/195382620.db2.gz MFGXODFJVXQDLM-SECBINFHSA-N 1 0 313.195 1.892 50 0 DDAARO CS(=O)(=O)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332232370 286587654 /nfs/dbraw/zinc/58/76/54/286587654.db2.gz PLJSGFRKFLMVGB-CQSZACIVSA-N 1 0 316.467 1.146 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000069372425 406703778 /nfs/dbraw/zinc/70/37/78/406703778.db2.gz VWVQGXOJNIILAT-KGLIPLIRSA-N 1 0 316.405 1.747 50 0 DDAARO C[NH+](C)CCOC(=O)COc1ccc(Br)cc1 ZINC000001753837 406676767 /nfs/dbraw/zinc/67/67/67/406676767.db2.gz CEHBNENJTNPROC-UHFFFAOYSA-N 1 0 302.168 1.933 50 0 DDAARO NC(=O)[C@H](c1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000069029266 406677541 /nfs/dbraw/zinc/67/75/41/406677541.db2.gz KZTIEGZTMPAXHG-KRWDZBQOSA-N 1 0 317.433 1.257 50 0 DDAARO CCCC[C@]1(C(=O)OCC)C[C@H](CSC(N)=[NH2+])OC1=O ZINC000001905149 406681461 /nfs/dbraw/zinc/68/14/61/406681461.db2.gz VBPUCZORUYLSTE-NOZJJQNGSA-N 1 0 302.396 1.668 50 0 DDAARO COc1ccc([C@H]2C[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000069415041 406705596 /nfs/dbraw/zinc/70/55/96/406705596.db2.gz KXKPQRDZEQLXAX-SJORKVTESA-N 1 0 317.433 1.162 50 0 DDAARO O=c1c2ccccc2ncn1C[C@H](O)C[NH2+]C1CCCCC1 ZINC000000406602 406644748 /nfs/dbraw/zinc/64/47/48/406644748.db2.gz YDFBBHILAVADKU-CQSZACIVSA-N 1 0 301.390 1.680 50 0 DDAARO Cc1nc(N2CCOCC2)sc1C[NH2+][C@H](C)Cn1cccn1 ZINC000069560197 406733249 /nfs/dbraw/zinc/73/32/49/406733249.db2.gz SJWJOVMEYDFQNP-GFCCVEGCSA-N 1 0 321.450 1.663 50 0 DDAARO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007458956 406757796 /nfs/dbraw/zinc/75/77/96/406757796.db2.gz KRJBAKSVRBPPFD-CYBMUJFWSA-N 1 0 317.433 1.624 50 0 DDAARO CC[C@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000069769903 406768373 /nfs/dbraw/zinc/76/83/73/406768373.db2.gz QJOUQANKOMOVKT-HOTGVXAUSA-N 1 0 323.412 1.395 50 0 DDAARO OCC[NH2+]CCOc1ccc(I)cc1 ZINC000002932130 406708420 /nfs/dbraw/zinc/70/84/20/406708420.db2.gz HFSDMLFRDAYNFX-UHFFFAOYSA-N 1 0 307.131 1.252 50 0 DDAARO COCCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cn1 ZINC000069419384 406709917 /nfs/dbraw/zinc/70/99/17/406709917.db2.gz QOSWYDNPOFMSGJ-GFCCVEGCSA-N 1 0 308.382 1.180 50 0 DDAARO O=c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)nc2ccccn12 ZINC000069443348 406710957 /nfs/dbraw/zinc/71/09/57/406710957.db2.gz PDYOMENRVQTESA-UHFFFAOYSA-N 1 0 309.373 1.797 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CC2 ZINC000069778482 406770801 /nfs/dbraw/zinc/77/08/01/406770801.db2.gz WORQSOWAIQLOKB-OAHLLOKOSA-N 1 0 308.389 1.877 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2nc(C3CC3)no2)C[C@@H]1CC ZINC000069840613 406778977 /nfs/dbraw/zinc/77/89/77/406778977.db2.gz SWBIBBCDSTYLSC-AWEZNQCLSA-N 1 0 308.426 1.880 50 0 DDAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000008172112 406779140 /nfs/dbraw/zinc/77/91/40/406779140.db2.gz XXIFKORZAITTSL-GFCCVEGCSA-N 1 0 309.797 1.154 50 0 DDAARO C[C@@H](CC(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1)n1cccc1 ZINC000069819047 406777222 /nfs/dbraw/zinc/77/72/22/406777222.db2.gz MNBZBOISBPLOJX-HOTGVXAUSA-N 1 0 321.465 1.990 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000008579255 406790134 /nfs/dbraw/zinc/79/01/34/406790134.db2.gz PYGKQVPPAUWISY-LLVKDONJSA-N 1 0 319.405 1.173 50 0 DDAARO CCNC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724589 406793503 /nfs/dbraw/zinc/79/35/03/406793503.db2.gz UAOZCCHYXWDSEA-RYUDHWBXSA-N 1 0 307.394 1.527 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)N1CCc2ccccc2C1 ZINC000069949419 406793692 /nfs/dbraw/zinc/79/36/92/406793692.db2.gz HFCBYOAYDIDMPY-SFHVURJKSA-N 1 0 324.428 1.932 50 0 DDAARO CCOC(=O)c1ccc(OC[C@H](O)C[NH2+]CCCOC)cc1 ZINC000009375939 406807727 /nfs/dbraw/zinc/80/77/27/406807727.db2.gz MDPLTUDMDSNAPA-CQSZACIVSA-N 1 0 311.378 1.229 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000071397322 406839217 /nfs/dbraw/zinc/83/92/17/406839217.db2.gz GGNGXHXWFODRNV-SECBINFHSA-N 1 0 304.799 1.379 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(F)cc1 ZINC000010332699 406821018 /nfs/dbraw/zinc/82/10/18/406821018.db2.gz QIBPRWNRYHTDBE-GFCCVEGCSA-N 1 0 320.324 1.171 50 0 DDAARO CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1 ZINC000011592802 406828990 /nfs/dbraw/zinc/82/89/90/406828990.db2.gz VSZGPKBBMSAYNT-SOUVJXGZSA-N 1 0 312.410 1.285 50 0 in-vitro DDAARO CCn1cnnc1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000071857149 406853751 /nfs/dbraw/zinc/85/37/51/406853751.db2.gz QPCNQYPEWGBZTE-AWEZNQCLSA-N 1 0 322.457 1.608 50 0 DDAARO Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)c1 ZINC000071866133 406855464 /nfs/dbraw/zinc/85/54/64/406855464.db2.gz XKIWTGHULVINLW-CVEARBPZSA-N 1 0 320.437 1.293 50 0 DDAARO CCc1nnc2n1C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)CC2 ZINC000071871890 406857905 /nfs/dbraw/zinc/85/79/05/406857905.db2.gz QFRVVNMOACUOHV-MLGOLLRUSA-N 1 0 313.405 1.219 50 0 DDAARO O=c1cc(C[N@@H+]2CCCC[C@@H]2Cn2cncn2)nc2ccccn12 ZINC000071876217 406859068 /nfs/dbraw/zinc/85/90/68/406859068.db2.gz URZGUYBFILRJBE-OAHLLOKOSA-N 1 0 324.388 1.341 50 0 DDAARO C[NH+](C)C[C@H]1CN(C[C@H](O)c2ccc(F)cc2F)CCO1 ZINC000071877056 406859645 /nfs/dbraw/zinc/85/96/45/406859645.db2.gz IXZMVAPZLZASIX-WFASDCNBSA-N 1 0 300.349 1.261 50 0 DDAARO COC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000014528198 406875721 /nfs/dbraw/zinc/87/57/21/406875721.db2.gz UVNXCSBYXSLTPQ-UHFFFAOYSA-N 1 0 319.405 1.775 50 0 DDAARO O=C(NC1CC[NH+](C2CC2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000014528259 406876319 /nfs/dbraw/zinc/87/63/19/406876319.db2.gz WESMPLAVKUPBMG-UHFFFAOYSA-N 1 0 312.373 1.280 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000072300596 406880111 /nfs/dbraw/zinc/88/01/11/406880111.db2.gz DWDCSSLYJUNAMS-YGRLFVJLSA-N 1 0 318.389 1.724 50 0 DDAARO C[C@](O)(C[NH+]1CCC(N2CCNC2=O)CC1)c1ccccc1 ZINC000071794519 406843295 /nfs/dbraw/zinc/84/32/95/406843295.db2.gz HXBBAUDIHRGYTL-KRWDZBQOSA-N 1 0 303.406 1.384 50 0 DDAARO Nc1cc(Br)ccc1N1CC[NH+](CCO)CC1 ZINC000035609596 406973260 /nfs/dbraw/zinc/97/32/60/406973260.db2.gz CUMBEHSPDDIRCK-UHFFFAOYSA-N 1 0 300.200 1.146 50 0 DDAARO CCN(CCCCCC[NH3+])c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000027534201 406911385 /nfs/dbraw/zinc/91/13/85/406911385.db2.gz BEADQYOTAORBKI-UHFFFAOYSA-N 1 0 304.394 1.974 50 0 DDAARO COCCCNC(=O)C[N@@H+]1CCCC[C@H]1Cn1nc(C)cc1C ZINC000075132996 406924152 /nfs/dbraw/zinc/92/41/52/406924152.db2.gz GSVAJWZDMNBTBG-INIZCTEOSA-N 1 0 322.453 1.507 50 0 DDAARO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCOc1ccccc1 ZINC000029854577 406927865 /nfs/dbraw/zinc/92/78/65/406927865.db2.gz OQXOMHLJKFAMEK-ZDUSSCGKSA-N 1 0 319.405 1.764 50 0 DDAARO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C[C@H]1[NH+](C)C ZINC000076051116 406951954 /nfs/dbraw/zinc/95/19/54/406951954.db2.gz NAQLPLVWDKHJIC-ZUZCIYMTSA-N 1 0 317.364 1.689 50 0 DDAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000032758152 406952380 /nfs/dbraw/zinc/95/23/80/406952380.db2.gz RSUHJSDEOWQRBN-CYBMUJFWSA-N 1 0 321.446 1.609 50 0 DDAARO CC(=O)N[C@H](CC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000032963992 406957503 /nfs/dbraw/zinc/95/75/03/406957503.db2.gz YBMDPYDCGZTEBT-MRXNPFEDSA-N 1 0 303.406 1.418 50 0 DDAARO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccncc2)cc1 ZINC000078602389 407035188 /nfs/dbraw/zinc/03/51/88/407035188.db2.gz PKEUGQGLGRTOLA-UHFFFAOYSA-N 1 0 306.387 1.654 50 0 DDAARO CCOc1ncccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044968882 407036233 /nfs/dbraw/zinc/03/62/33/407036233.db2.gz PWSUSBJBSHJKAR-LSDHHAIUSA-N 1 0 318.421 1.906 50 0 DDAARO O=C(CC[N@H+]1CCOC[C@@H](O)C1)N1CCCc2ccccc21 ZINC000077321875 406984550 /nfs/dbraw/zinc/98/45/50/406984550.db2.gz IOXSDXICWPALOX-HNNXBMFYSA-N 1 0 304.390 1.049 50 0 DDAARO COc1ccc(-c2noc(CN3CCC[NH2+]CC3)n2)cc1OC ZINC000045795987 407049842 /nfs/dbraw/zinc/04/98/42/407049842.db2.gz ZDLWCFXEPRUBEG-UHFFFAOYSA-N 1 0 318.377 1.549 50 0 DDAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O ZINC000085376200 407098481 /nfs/dbraw/zinc/09/84/81/407098481.db2.gz PWAZVYMQGXSTMA-CQSZACIVSA-N 1 0 309.329 1.847 50 0 DDAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1cnn(C)c1 ZINC000048784469 407107679 /nfs/dbraw/zinc/10/76/79/407107679.db2.gz YLHFRDFJYJVDHA-UHFFFAOYSA-N 1 0 305.378 1.778 50 0 DDAARO CC[C@@H](CO)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047599472 407077284 /nfs/dbraw/zinc/07/72/84/407077284.db2.gz RVWZZMSFWYPNJE-KBPBESRZSA-N 1 0 309.410 1.877 50 0 DDAARO Cn1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1=O ZINC000084321681 407087209 /nfs/dbraw/zinc/08/72/09/407087209.db2.gz ZRJPIOKGDUOLHR-UHFFFAOYSA-N 1 0 318.421 1.914 50 0 DDAARO c1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nn2nnnc12 ZINC000089794300 407150044 /nfs/dbraw/zinc/15/00/44/407150044.db2.gz AGVLFMGGBREXCD-AWEZNQCLSA-N 1 0 315.425 1.612 50 0 DDAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000052774834 407156104 /nfs/dbraw/zinc/15/61/04/407156104.db2.gz MSMIHRWPHWXERA-UAGQMJEPSA-N 1 0 322.449 1.657 50 0 DDAARO COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000089941403 407161431 /nfs/dbraw/zinc/16/14/31/407161431.db2.gz RJZFSLJPIAFUIB-YVEFUNNKSA-N 1 0 309.406 1.896 50 0 DDAARO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090798788 407171198 /nfs/dbraw/zinc/17/11/98/407171198.db2.gz XTPLFXBCZYKLAU-VXGBXAGGSA-N 1 0 308.513 1.920 50 0 DDAARO Cc1cccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c1C ZINC000096404228 407259736 /nfs/dbraw/zinc/25/97/36/407259736.db2.gz LIIIQZLADSVPOZ-UHFFFAOYSA-N 1 0 312.435 1.055 50 0 DDAARO Cc1ccc(NC(=O)CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000055283069 407200389 /nfs/dbraw/zinc/20/03/89/407200389.db2.gz NFMZDSVEVFPZTQ-OAHLLOKOSA-N 1 0 315.417 1.939 50 0 DDAARO CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000055383532 407201573 /nfs/dbraw/zinc/20/15/73/407201573.db2.gz CCBRFPPHLKMHCT-AWEZNQCLSA-N 1 0 304.419 1.847 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H]2C=CCC2)CC1 ZINC000058328909 407220255 /nfs/dbraw/zinc/22/02/55/407220255.db2.gz RAOCJRXEAFABLW-OAHLLOKOSA-N 1 0 314.433 1.806 50 0 DDAARO CC(=O)NCCC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000066946207 407264525 /nfs/dbraw/zinc/26/45/25/407264525.db2.gz XEDBIOBNYPBFAO-UHFFFAOYSA-N 1 0 319.449 1.536 50 0 DDAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)c1 ZINC000096449351 407268346 /nfs/dbraw/zinc/26/83/46/407268346.db2.gz ZFLQWUWHEBRYNO-CQSZACIVSA-N 1 0 316.405 1.806 50 0 DDAARO CC(C)=CC[NH+]1CCC(NC(=O)N[C@@](C)(CO)C2CC2)CC1 ZINC000096475246 407270466 /nfs/dbraw/zinc/27/04/66/407270466.db2.gz OXVUMFITEUNABF-KRWDZBQOSA-N 1 0 309.454 1.877 50 0 DDAARO C[NH+](C)CCNC(=O)c1sccc1NC(=O)c1cnccn1 ZINC000067335658 407271315 /nfs/dbraw/zinc/27/13/15/407271315.db2.gz PIWXCTOIOHKZLO-UHFFFAOYSA-N 1 0 319.390 1.082 50 0 DDAARO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1nnc[nH]1 ZINC000067641645 407278611 /nfs/dbraw/zinc/27/86/11/407278611.db2.gz AVUDPTGNWBMEID-ADQTWTKMSA-N 1 0 315.377 1.553 50 0 DDAARO C[N@@H+]1CC[C@H](CNC(=O)CCC(=O)Nc2cccc(F)c2)C1 ZINC000067650452 407278674 /nfs/dbraw/zinc/27/86/74/407278674.db2.gz JBESYFLIXSVKBW-GFCCVEGCSA-N 1 0 307.369 1.612 50 0 DDAARO CCc1nc(C)sc1C(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000097137608 407282206 /nfs/dbraw/zinc/28/22/06/407282206.db2.gz KKWBPLOIVKSYDA-UHFFFAOYSA-N 1 0 305.407 1.244 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(Cl)nc1C ZINC000097137410 407282438 /nfs/dbraw/zinc/28/24/38/407282438.db2.gz QLIOGYBXLGSIJG-RYUDHWBXSA-N 1 0 312.801 1.884 50 0 DDAARO COC(=O)C1(c2ccccc2)CC[NH+](CCC2OCCO2)CC1 ZINC000097161644 407284234 /nfs/dbraw/zinc/28/42/34/407284234.db2.gz XOOJHOIFGFMLDJ-UHFFFAOYSA-N 1 0 319.401 1.956 50 0 DDAARO [NH3+]C[C@@H]1Cc2cccc(-c3cc(N4CCOCC4)ncn3)c2O1 ZINC000067773470 407284485 /nfs/dbraw/zinc/28/44/85/407284485.db2.gz CIFMRBGSDXWWOR-ZDUSSCGKSA-N 1 0 312.373 1.242 50 0 DDAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Oc3ncccn3)c2)C1 ZINC000067789141 407284498 /nfs/dbraw/zinc/28/44/98/407284498.db2.gz UVZKWRHEEIAMCU-ZDUSSCGKSA-N 1 0 312.373 1.950 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2CCCCCC2=O)C1 ZINC000067833667 407286062 /nfs/dbraw/zinc/28/60/62/407286062.db2.gz PMGCBZUIPITBCS-MRXNPFEDSA-N 1 0 323.481 1.873 50 0 DDAARO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000097436963 407294071 /nfs/dbraw/zinc/29/40/71/407294071.db2.gz BATWWBBJLBCTQV-ZDUSSCGKSA-N 1 0 316.323 1.956 50 0 DDAARO c1cc2nonc2c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000097679856 407301041 /nfs/dbraw/zinc/30/10/41/407301041.db2.gz SZOVCYCSUHCBQN-UHFFFAOYSA-N 1 0 302.378 1.519 50 0 DDAARO COc1ccccc1/C=C\C[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000098055751 407304822 /nfs/dbraw/zinc/30/48/22/407304822.db2.gz QCJGFXJBEQYDOQ-ALCCZGGFSA-N 1 0 317.433 1.462 50 0 DDAARO CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000106906031 407365581 /nfs/dbraw/zinc/36/55/81/407365581.db2.gz ZJAORRAZTOWHJE-HNNXBMFYSA-N 1 0 319.453 1.216 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000125818311 407398402 /nfs/dbraw/zinc/39/84/02/407398402.db2.gz ITWDTGIBCIFLFB-ZDUSSCGKSA-N 1 0 301.390 1.243 50 0 DDAARO O=C(c1ccc(=O)[nH]c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000215225094 407480158 /nfs/dbraw/zinc/48/01/58/407480158.db2.gz NGSWGGWEZJHBQA-OAHLLOKOSA-N 1 0 319.405 1.092 50 0 DDAARO CNC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1COC ZINC000257184509 407485206 /nfs/dbraw/zinc/48/52/06/407485206.db2.gz IOWLTNQRUUMJRJ-WDEREUQCSA-N 1 0 316.323 1.544 50 0 DDAARO COCc1cc(CN2CC[C@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235787 407496499 /nfs/dbraw/zinc/49/64/99/407496499.db2.gz YQBUNEOVLGOPMX-KRWDZBQOSA-N 1 0 308.422 1.340 50 0 DDAARO COc1ccccc1CCC(=O)N1C[C@@H](CO)[C@H]([NH+](C)C)C1 ZINC000253414355 407442338 /nfs/dbraw/zinc/44/23/38/407442338.db2.gz XFSOZBSSNZNWMF-LSDHHAIUSA-N 1 0 306.406 1.009 50 0 DDAARO COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H]3CCC(C)(C)O3)C2)nn1 ZINC000253430431 407449421 /nfs/dbraw/zinc/44/94/21/407449421.db2.gz KYTNBOUAERAQMJ-QWHCGFSZSA-N 1 0 322.409 1.659 50 0 DDAARO CCc1ccc(CN(C)C(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)nc1 ZINC000219063465 407527325 /nfs/dbraw/zinc/52/73/25/407527325.db2.gz SFYTYWQGYDUPPB-QGZVFWFLSA-N 1 0 318.465 1.628 50 0 DDAARO Cc1csc([C@@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)n1 ZINC000219785654 407532434 /nfs/dbraw/zinc/53/24/34/407532434.db2.gz HBKMIABATAFJEH-GFCCVEGCSA-N 1 0 310.467 1.655 50 0 DDAARO C[C@@H]1CCCC[C@H]1OCCN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261840504 407637332 /nfs/dbraw/zinc/63/73/32/407637332.db2.gz WMTBJPXNQWXTHT-BZUAXINKSA-N 1 0 306.454 1.962 50 0 DDAARO CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000229176015 407656946 /nfs/dbraw/zinc/65/69/46/407656946.db2.gz SGGPHXCMLCHEKZ-CABCVRRESA-N 1 0 317.437 1.574 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000230178067 407682671 /nfs/dbraw/zinc/68/26/71/407682671.db2.gz NNFAUCVDXAFOFN-OLZOCXBDSA-N 1 0 309.410 1.350 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000179016029 407691078 /nfs/dbraw/zinc/69/10/78/407691078.db2.gz PMMUVXBULXMVSL-INIZCTEOSA-N 1 0 312.417 1.921 50 0 DDAARO CN(C(=O)[C@H](c1ccccc1F)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000179063546 407710136 /nfs/dbraw/zinc/71/01/36/407710136.db2.gz SKYPMVOCZFSOQH-BBRMVZONSA-N 1 0 321.396 1.019 50 0 DDAARO CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229356657 407661627 /nfs/dbraw/zinc/66/16/27/407661627.db2.gz NEAKLDWKGJDMBG-SOUVJXGZSA-N 1 0 321.465 1.767 50 0 DDAARO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000229403646 407662693 /nfs/dbraw/zinc/66/26/93/407662693.db2.gz DKNCPFUPDIJIHJ-ZIAGYGMSSA-N 1 0 310.438 1.909 50 0 DDAARO Cc1cc(CN2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)on1 ZINC000237729227 407838082 /nfs/dbraw/zinc/83/80/82/407838082.db2.gz KMHHZPOCZFIBAQ-KBPBESRZSA-N 1 0 306.410 1.145 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 ZINC000133443294 407845524 /nfs/dbraw/zinc/84/55/24/407845524.db2.gz XEWBDLCZSKDAIU-ZDUSSCGKSA-N 1 0 315.373 1.314 50 0 DDAARO C[NH+](C)[C@H]1CCN(CC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000243932679 407925179 /nfs/dbraw/zinc/92/51/79/407925179.db2.gz BXSFAGSEDDDFBJ-KRWDZBQOSA-N 1 0 316.449 1.424 50 0 DDAARO Cc1cnccc1CN(C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244734970 407933915 /nfs/dbraw/zinc/93/39/15/407933915.db2.gz NQSDVIHYHYFIBF-OKILXGFUSA-N 1 0 300.410 1.355 50 0 DDAARO Cc1cc(Cl)ccc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000136205044 408088674 /nfs/dbraw/zinc/08/86/74/408088674.db2.gz GLWRALGDBIEDBS-INIZCTEOSA-N 1 0 312.841 1.773 50 0 DDAARO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000182359202 408135645 /nfs/dbraw/zinc/13/56/45/408135645.db2.gz ZOQFRTBCVRXSBX-NSHDSACASA-N 1 0 324.343 1.482 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)NC[C@H]1CSCCS1 ZINC000176368180 408350330 /nfs/dbraw/zinc/35/03/30/408350330.db2.gz TXLLXLGPSUIPDD-LBPRGKRZSA-N 1 0 303.497 1.620 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2nc3c(cccc3F)[nH]2)C[C@H]1C ZINC000247031615 408391996 /nfs/dbraw/zinc/39/19/96/408391996.db2.gz DFOFAEMDVWYAEL-NEPJUHHUSA-N 1 0 306.385 1.589 50 0 DDAARO CC[C@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247108726 408410034 /nfs/dbraw/zinc/41/00/34/408410034.db2.gz IUSSVJVXOOPWDJ-HOCLYGCPSA-N 1 0 305.422 1.402 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC000247215114 408428918 /nfs/dbraw/zinc/42/89/18/408428918.db2.gz QAFBWPAMIVUSQX-NEPJUHHUSA-N 1 0 306.366 1.217 50 0 DDAARO CC(C)n1nc(C[NH2+]CCOCCO)c(-c2ccccc2)n1 ZINC000248025796 408527363 /nfs/dbraw/zinc/52/73/63/408527363.db2.gz WDFRHYUQBLLXGQ-UHFFFAOYSA-N 1 0 304.394 1.625 50 0 DDAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CN1CCCCCC1=O ZINC000248166287 408540156 /nfs/dbraw/zinc/54/01/56/408540156.db2.gz ZZKZBYBQNVGXGF-LSDHHAIUSA-N 1 0 307.438 1.474 50 0 DDAARO CCc1c(C)nn(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000252483934 408797402 /nfs/dbraw/zinc/79/74/02/408797402.db2.gz FLCIUTBHOPMWJG-ZDUSSCGKSA-N 1 0 322.453 1.147 50 0 DDAARO CC(=O)OCC(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252492098 408798423 /nfs/dbraw/zinc/79/84/23/408798423.db2.gz MCPSZMRWAIRINN-UHFFFAOYSA-N 1 0 314.451 1.273 50 0 DDAARO O=C(CCCn1cccn1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000252489603 408798567 /nfs/dbraw/zinc/79/85/67/408798567.db2.gz JUQSQYNXISFQOS-GJZGRUSLSA-N 1 0 306.410 1.033 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1Cl ZINC000252586079 408805838 /nfs/dbraw/zinc/80/58/38/408805838.db2.gz NIYDPBGKENSXOW-RYUDHWBXSA-N 1 0 321.808 1.974 50 0 DDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000252666374 408808648 /nfs/dbraw/zinc/80/86/48/408808648.db2.gz BGFRXLUUOMMRFL-GXTWGEPZSA-N 1 0 322.434 1.094 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000249702712 408756240 /nfs/dbraw/zinc/75/62/40/408756240.db2.gz ZDGRKFSYRGVMJC-HOTGVXAUSA-N 1 0 321.465 1.626 50 0 DDAARO COc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000170091122 408820157 /nfs/dbraw/zinc/82/01/57/408820157.db2.gz FTERCYIPCSBBDZ-QWHCGFSZSA-N 1 0 307.394 1.614 50 0 DDAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1 ZINC000191047478 163170083 /nfs/dbraw/zinc/17/00/83/163170083.db2.gz TVSMSIKGHOFUMA-MBNYWOFBSA-N 1 0 312.435 1.813 50 0 DDAARO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277458028 408944463 /nfs/dbraw/zinc/94/44/63/408944463.db2.gz HRSVQQHIOCFVGS-GXTWGEPZSA-N 1 0 312.797 1.290 50 0 DDAARO CCCc1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)cs1 ZINC000299763301 410610642 /nfs/dbraw/zinc/61/06/42/410610642.db2.gz ZSVUSURDLOTCCY-AAEUAGOBSA-N 1 0 311.451 1.933 50 0 DDAARO CCC(=O)N1CCC[C@H]1C(=O)NCCNc1cc[nH+]cc1C ZINC000299790045 410633140 /nfs/dbraw/zinc/63/31/40/410633140.db2.gz BAVFGRQHRCSNTB-AWEZNQCLSA-N 1 0 304.394 1.319 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNc2nc(OC)ncc2Cl)CC1 ZINC000301670444 410767779 /nfs/dbraw/zinc/76/77/79/410767779.db2.gz FFSJKSDCONGZSQ-NSHDSACASA-N 1 0 313.833 1.577 50 0 DDAARO Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](C(C)(C)C)C1)nc2N ZINC000534582545 416507113 /nfs/dbraw/zinc/50/71/13/416507113.db2.gz UJJODQYQBLSGRQ-SNVBAGLBSA-N 1 0 303.414 1.478 50 0 DDAARO C[N@@H+]1CCC[C@H](CCC(=O)NCC2=CSC3=NCCN23)C1 ZINC000102681217 418495692 /nfs/dbraw/zinc/49/56/92/418495692.db2.gz FVAYQAWZBGUPAI-GFCCVEGCSA-N 1 0 308.451 1.484 50 0 DDAARO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000107503307 418498526 /nfs/dbraw/zinc/49/85/26/418498526.db2.gz HIGLZXFKJNPDRK-TZMCWYRMSA-N 1 0 306.410 1.490 50 0 DDAARO NC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000048262123 418467923 /nfs/dbraw/zinc/46/79/23/418467923.db2.gz AXUIBPYKTJNYSK-OAHLLOKOSA-N 1 0 313.405 1.753 50 0 DDAARO C[NH+]1CCC(OCCCNC(=O)c2ncc(F)cc2F)CC1 ZINC000223898739 418564091 /nfs/dbraw/zinc/56/40/91/418564091.db2.gz YIDVBZOYPZJYFM-UHFFFAOYSA-N 1 0 313.348 1.591 50 0 DDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000241287115 222212315 /nfs/dbraw/zinc/21/23/15/222212315.db2.gz LKBLSKJKDWVTKT-IINYFYTJSA-N 1 0 318.389 1.724 50 0 DDAARO O=C(NCc1ccc2sccc2c1)NC[C@H]1C[NH2+]CCO1 ZINC000426477517 419480903 /nfs/dbraw/zinc/48/09/03/419480903.db2.gz GEMUBXGAGYTICD-CYBMUJFWSA-N 1 0 305.403 1.689 50 0 DDAARO CCn1ncnc1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC000426412182 419462880 /nfs/dbraw/zinc/46/28/80/419462880.db2.gz GNELBHMKVZJILH-ZDUSSCGKSA-N 1 0 305.426 1.740 50 0 DDAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2cnc3cnccn23)C1 ZINC000426423440 419468362 /nfs/dbraw/zinc/46/83/62/419468362.db2.gz ODBNFEZDZUHFHE-CYBMUJFWSA-N 1 0 301.394 1.466 50 0 DDAARO Nc1nc(NCCCC[NH+]2CCCC2)cc([C@H]2CCOC2)n1 ZINC000426628897 419520416 /nfs/dbraw/zinc/52/04/16/419520416.db2.gz WQZVGLQIYXRZLH-ZDUSSCGKSA-N 1 0 305.426 1.273 50 0 DDAARO Cn1cccc1CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000426642849 419525438 /nfs/dbraw/zinc/52/54/38/419525438.db2.gz DIJXCZHBXXAEKF-KRWDZBQOSA-N 1 0 319.449 1.717 50 0 DDAARO CCc1noc(CCNC(=O)c2cc(C)ccc2OCC[NH3+])n1 ZINC000426509931 419496018 /nfs/dbraw/zinc/49/60/18/419496018.db2.gz FYKZYWNPXWFXGN-UHFFFAOYSA-N 1 0 318.377 1.250 50 0 DDAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(Cl)c3)C2)CC1 ZINC000221355418 273899083 /nfs/dbraw/zinc/89/90/83/273899083.db2.gz DEBLVEJUFRWERK-AWEZNQCLSA-N 1 0 308.813 1.197 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H]1C[NH3+] ZINC000237443143 274289521 /nfs/dbraw/zinc/28/95/21/274289521.db2.gz VGOAEQVWHNTSOM-IAQYHMDHSA-N 1 0 301.390 1.771 50 0 DDAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000229403517 274293644 /nfs/dbraw/zinc/29/36/44/274293644.db2.gz REPYEDBKLIIPGB-RBSFLKMASA-N 1 0 310.438 1.861 50 0 DDAARO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cnn1-c1ccccn1 ZINC000183637410 274665625 /nfs/dbraw/zinc/66/56/25/274665625.db2.gz NEZKOGJRSAPJKV-LLVKDONJSA-N 1 0 301.394 1.738 50 0 DDAARO Nc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)[nH]n1 ZINC000216147334 274964138 /nfs/dbraw/zinc/96/41/38/274964138.db2.gz IQYQDYAEBXMVSM-OAHLLOKOSA-N 1 0 313.405 1.949 50 0 DDAARO CC(C)c1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[nH]n1 ZINC000069576095 278006808 /nfs/dbraw/zinc/00/68/08/278006808.db2.gz HPDTXHYAUFXHEL-ZDUSSCGKSA-N 1 0 308.426 1.716 50 0 DDAARO COc1ncccc1CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000065382385 278094786 /nfs/dbraw/zinc/09/47/86/278094786.db2.gz FYNWKLMZGOFEQZ-UHFFFAOYSA-N 1 0 314.393 1.093 50 0 DDAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000065399087 279168556 /nfs/dbraw/zinc/16/85/56/279168556.db2.gz OAKGVZBQOLKWGN-ZDUSSCGKSA-N 1 0 314.389 1.251 50 0 DDAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000071872097 293002377 /nfs/dbraw/zinc/00/23/77/293002377.db2.gz HHZKZULSEASAMY-ZDUSSCGKSA-N 1 0 318.446 1.816 50 0 DDAARO [NH3+][C@H]1CN(c2cc(C(=O)N3CCCCC3)ccn2)C[C@@H]1C1CC1 ZINC000095359746 295342693 /nfs/dbraw/zinc/34/26/93/295342693.db2.gz KYTOLPHZUMXIFC-CVEARBPZSA-N 1 0 314.433 1.881 50 0 DDAARO COCCn1cncc1C[N@@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091270045 332102577 /nfs/dbraw/zinc/10/25/77/332102577.db2.gz AHNATURQZBEWAY-QGZVFWFLSA-N 1 0 307.438 1.904 50 0 DDAARO CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000097228978 337382275 /nfs/dbraw/zinc/38/22/75/337382275.db2.gz DYUHCBCCPCDLSB-GFCCVEGCSA-N 1 0 315.339 1.349 50 0 DDAARO Cc1noc(C)c1CNC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000077656449 483962344 /nfs/dbraw/zinc/96/23/44/483962344.db2.gz JMMOUWZGMQJKCD-QGZVFWFLSA-N 1 0 323.437 1.829 50 0 DDAARO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962394 /nfs/dbraw/zinc/96/23/94/483962394.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 1 0 305.397 1.420 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(CC(F)(F)F)C[C@@H]2C)CC1 ZINC000084714405 483999654 /nfs/dbraw/zinc/99/96/54/483999654.db2.gz KPFIYMRFFIJJQL-AAEUAGOBSA-N 1 0 307.360 1.423 50 0 DDAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000090466007 484009556 /nfs/dbraw/zinc/00/95/56/484009556.db2.gz DRLHXZJLZNIOHA-KGLIPLIRSA-N 1 0 316.467 1.334 50 0 DDAARO COc1ccc2c(c1)CC[C@@H]([NH2+]CCc1noc(CO)n1)C2 ZINC000670452346 484838468 /nfs/dbraw/zinc/83/84/68/484838468.db2.gz JLEMWOPSRCJMOT-CYBMUJFWSA-N 1 0 303.362 1.260 50 0 DDAARO O=c1c2c(-c3ccco3)csc2ncn1C[C@H]1C[NH2+]CCO1 ZINC000670455400 484841761 /nfs/dbraw/zinc/84/17/61/484841761.db2.gz DSMRKHBORUEOQN-SNVBAGLBSA-N 1 0 317.370 1.706 50 0 DDAARO COc1coc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)cc1=O ZINC000670461829 484845191 /nfs/dbraw/zinc/84/51/91/484845191.db2.gz JWGSZAOSRYLLBN-KRWDZBQOSA-N 1 0 301.342 1.742 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000299747001 533736413 /nfs/dbraw/zinc/73/64/13/533736413.db2.gz BUCNFZMCIYUGQT-PTOFAABTSA-N 1 0 318.295 1.485 50 0 DDAARO O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299753140 534437662 /nfs/dbraw/zinc/43/76/62/534437662.db2.gz WZKXIHNDZQSJQT-SMDDNHRTSA-N 1 0 307.781 1.203 50 0 DDAARO CCOc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)[nH]n1 ZINC000328600379 528212465 /nfs/dbraw/zinc/21/24/65/528212465.db2.gz XQNLPPCUMCCMDX-UHFFFAOYSA-N 1 0 324.425 1.381 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000170050492 545647668 /nfs/dbraw/zinc/64/76/68/545647668.db2.gz SZCCTRMAXYXHLG-KFWWJZLASA-N 1 0 324.446 1.549 50 0 DDAARO CN1CCO[C@H](CNC(=O)c2cc3ccccc3cc2O)C1 ZINC000169969772 563901749 /nfs/dbraw/zinc/90/17/49/563901749.db2.gz GMHPXDTZTPDXOU-CQSZACIVSA-N 1 0 300.358 1.606 50 0 DDAARO O=C(c1ccc2nc(C3CC3)oc2c1)N1CCN(CCO)CC1 ZINC000019835807 696069347 /nfs/dbraw/zinc/06/93/47/696069347.db2.gz SZOAIAQPWKVHFZ-UHFFFAOYSA-N 1 0 315.373 1.455 50 0 DDAARO OCC[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(F)cc1 ZINC000020167684 696070027 /nfs/dbraw/zinc/07/00/27/696070027.db2.gz QKUFMVUSZIMQHH-GOSISDBHSA-N 1 0 322.424 1.873 50 0 DDAARO CC(=O)N1CCC([N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000065499178 696345293 /nfs/dbraw/zinc/34/52/93/696345293.db2.gz DGPLCWHFMUNKJQ-OAHLLOKOSA-N 1 0 304.390 1.769 50 0 DDAARO COc1nc2ccn(CC[C@H]3CCC[N@@H+]3C)c(=O)c2cc1C#N ZINC000067833370 696364278 /nfs/dbraw/zinc/36/42/78/696364278.db2.gz OYQREZNOFIRJHD-CYBMUJFWSA-N 1 0 312.373 1.761 50 0 DDAARO Cc1cc(C)c2c(ncnc2N2CCN3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000095386335 696603067 /nfs/dbraw/zinc/60/30/67/696603067.db2.gz MJUFOPMTNROFQL-CQSZACIVSA-N 1 0 312.421 1.078 50 0 DDAARO C[NH+]1CCC(Oc2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000169751904 697344263 /nfs/dbraw/zinc/34/42/63/697344263.db2.gz KRPSXELMFVTMPQ-UHFFFAOYSA-N 1 0 305.378 1.027 50 0 DDAARO Cc1cccc(OCC(=O)N2C[C@H](CO)C3(C2)CC[NH2+]CC3)c1 ZINC000169782168 697345276 /nfs/dbraw/zinc/34/52/76/697345276.db2.gz XWROHOCCGQDNKP-OAHLLOKOSA-N 1 0 318.417 1.194 50 0 DDAARO CCCS(=O)(=O)N1CCC2(C[N@H+](C)C[C@@H]2COC)CC1 ZINC000169782641 697345475 /nfs/dbraw/zinc/34/54/75/697345475.db2.gz XAUCNBJCLYZOQA-CYBMUJFWSA-N 1 0 304.456 1.016 50 0 DDAARO Cc1ccc(C[N@@H+](C)[C@H]2CCc3nn(C)c(=O)n3CC2)nc1 ZINC000169783365 697345538 /nfs/dbraw/zinc/34/55/38/697345538.db2.gz DLGYKDJTJGPJEI-AWEZNQCLSA-N 1 0 301.394 1.122 50 0 DDAARO O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188297311 697556321 /nfs/dbraw/zinc/55/63/21/697556321.db2.gz OFGHGMXMBHYMCX-DZGCQCFKSA-N 1 0 302.353 1.231 50 0 DDAARO Cc1nn(C)cc1NC(=O)NCCN1CCc2sccc2C1 ZINC000189680699 697578089 /nfs/dbraw/zinc/57/80/89/697578089.db2.gz VYVRHKKXGULPTL-UHFFFAOYSA-N 1 0 319.434 1.970 50 0 DDAARO CCSc1nc2c(cnn2CC[NH3+])c(N2CCCCC2)n1 ZINC000827427487 705998440 /nfs/dbraw/zinc/99/84/40/705998440.db2.gz GCTRTPQKJIQGSQ-UHFFFAOYSA-N 1 0 306.439 1.887 50 0 DDAARO CC(C)[NH+]1CCN(c2ncc(F)c(NCC(F)F)n2)CC1 ZINC000888098665 709213119 /nfs/dbraw/zinc/21/31/19/709213119.db2.gz SCYJNFXXDUCFMH-UHFFFAOYSA-N 1 0 303.332 1.823 50 0 DDAARO Cc1n[nH]cc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000952965408 721528825 /nfs/dbraw/zinc/52/88/25/721528825.db2.gz QHXRUFJHUVHTBL-AWEZNQCLSA-N 1 0 320.437 1.568 50 0 DDAARO Cc1cccc(=O)n1CCC(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000952987750 721532894 /nfs/dbraw/zinc/53/28/94/721532894.db2.gz LCLMHOAMJGLZEB-UHFFFAOYSA-N 1 0 319.449 1.880 50 0 DDAARO COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCSC1)C(=O)N2 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C[NH+]1CCN(c2ccc(NC(=O)OCC(F)(F)F)nc2)CC1 ZINC000585138733 771967240 /nfs/dbraw/zinc/96/72/40/771967240.db2.gz OMBOUDGWYMDLEF-UHFFFAOYSA-N 1 0 318.299 1.944 50 0 DDAARO Cc1ccccc1-c1noc(CN2C[C@@H]3CC[C@H](CC2=O)[NH2+]3)n1 ZINC000095510740 185376174 /nfs/dbraw/zinc/37/61/74/185376174.db2.gz KFTMRRFSLXZBCT-OLZOCXBDSA-N 1 0 312.373 1.898 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CN(C)c2nc3c(s2)c(C)nn3C)C1 ZINC000095519937 185377172 /nfs/dbraw/zinc/37/71/72/185377172.db2.gz FIJIKMQTCFTMLR-LBPRGKRZSA-N 1 0 323.466 1.743 50 0 DDAARO O=C(COc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000079018902 185146918 /nfs/dbraw/zinc/14/69/18/185146918.db2.gz NUQLWNUIOCGGJV-HNNXBMFYSA-N 1 0 304.390 1.246 50 0 DDAARO Cc1nc(Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)cs1 ZINC000082170747 185174438 /nfs/dbraw/zinc/17/44/38/185174438.db2.gz KBDZAOASIQWLEK-UHFFFAOYSA-N 1 0 318.427 1.917 50 0 DDAARO C[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000088720006 185263343 /nfs/dbraw/zinc/26/33/43/185263343.db2.gz 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O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc[nH]c1=O ZINC000084522437 407090699 /nfs/dbraw/zinc/09/06/99/407090699.db2.gz FOXXISZPXOJQMY-INIZCTEOSA-N 1 0 311.385 1.942 50 0 DDAARO C[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000050038958 407125925 /nfs/dbraw/zinc/12/59/25/407125925.db2.gz XLDGQBSOIDBJBZ-UHFFFAOYSA-N 1 0 318.299 1.609 50 0 DDAARO O[C@@H](Cn1cccn1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000051536452 407141355 /nfs/dbraw/zinc/14/13/55/407141355.db2.gz UPPLJLICZRJATF-MRXNPFEDSA-N 1 0 320.824 1.720 50 0 DDAARO CC(C)(C)OC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000089662517 407143450 /nfs/dbraw/zinc/14/34/50/407143450.db2.gz SLGGXAYHZKPSDL-HNNXBMFYSA-N 1 0 306.406 1.930 50 0 DDAARO NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000089774395 407148173 /nfs/dbraw/zinc/14/81/73/407148173.db2.gz UNUINOYEJXFHOW-UHFFFAOYSA-N 1 0 313.195 1.530 50 0 DDAARO O=C(Cn1ccccc1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000089878797 407155010 /nfs/dbraw/zinc/15/50/10/407155010.db2.gz CMPSTVGMFUSSDB-OAHLLOKOSA-N 1 0 303.406 1.325 50 0 DDAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)C2CC2)C1 ZINC000052962046 407160268 /nfs/dbraw/zinc/16/02/68/407160268.db2.gz VGPRMHGWQQMJIE-LLVKDONJSA-N 1 0 307.419 1.046 50 0 DDAARO C[NH+]1CCN(c2ncnc(-c3ccc(F)c(F)c3)c2N)CC1 ZINC000096282120 407258308 /nfs/dbraw/zinc/25/83/08/407258308.db2.gz LYLSINDJKKWRDC-UHFFFAOYSA-N 1 0 305.332 1.756 50 0 DDAARO CCC(=O)Nc1ccc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000055197872 407196933 /nfs/dbraw/zinc/19/69/33/407196933.db2.gz QOOSPGAXTPITKF-AWEZNQCLSA-N 1 0 319.405 1.576 50 0 DDAARO Cc1cc(N2CCCN(C(=O)Nc3nncs3)CC2)cc[nH+]1 ZINC000055325146 407200175 /nfs/dbraw/zinc/20/01/75/407200175.db2.gz YXLZLYLVSNDDGW-UHFFFAOYSA-N 1 0 318.406 1.986 50 0 DDAARO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)N(C)C)C[C@@H](C)O1 ZINC000055869852 407207551 /nfs/dbraw/zinc/20/75/51/407207551.db2.gz XWLACMVNTDLLAQ-ZIAGYGMSSA-N 1 0 305.422 1.796 50 0 DDAARO Cc1cnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cn1 ZINC000095363468 407208841 /nfs/dbraw/zinc/20/88/41/407208841.db2.gz CLIYYBGQSMVWQZ-CQSZACIVSA-N 1 0 318.421 1.292 50 0 DDAARO CC[NH+]1CCC(CC(=O)NCc2nnc3n2CCCC3)CC1 ZINC000095371432 407210837 /nfs/dbraw/zinc/21/08/37/407210837.db2.gz FWYSYTOLGBTIQF-UHFFFAOYSA-N 1 0 305.426 1.353 50 0 DDAARO O=c1cc(C[NH2+]Cc2cnn3cccnc23)[nH]c2ccc(F)cc12 ZINC000095378484 407210954 /nfs/dbraw/zinc/21/09/54/407210954.db2.gz XPXMMECFZRKTQG-UHFFFAOYSA-N 1 0 323.331 2.000 50 0 DDAARO O=C(NCCCn1cncn1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095388258 407213171 /nfs/dbraw/zinc/21/31/71/407213171.db2.gz VXCDFGCJUHETLI-INIZCTEOSA-N 1 0 313.405 1.565 50 0 DDAARO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000095943807 407216253 /nfs/dbraw/zinc/21/62/53/407216253.db2.gz VTXIZXJBBQZFCU-SFHVURJKSA-N 1 0 321.417 1.982 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)NCC2CC2)CC1 ZINC000095956024 407217310 /nfs/dbraw/zinc/21/73/10/407217310.db2.gz KNNGPKBOZWAMRG-UHFFFAOYSA-N 1 0 303.410 1.043 50 0 DDAARO c1cc(C[NH2+][C@@H]2CCSC2)cc(OCCN2CCOCC2)c1 ZINC000095967458 407218493 /nfs/dbraw/zinc/21/84/93/407218493.db2.gz SGXJPJAMZKEDOZ-MRXNPFEDSA-N 1 0 322.474 1.993 50 0 DDAARO Cc1ccc2ncc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991131 407221636 /nfs/dbraw/zinc/22/16/36/407221636.db2.gz LQPQVCWDVMIKRQ-OAHLLOKOSA-N 1 0 317.389 1.654 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000096139261 407240827 /nfs/dbraw/zinc/24/08/27/407240827.db2.gz PKVZDKVKICWWMJ-CQSZACIVSA-N 1 0 313.405 1.919 50 0 DDAARO CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240854 /nfs/dbraw/zinc/24/08/54/407240854.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 1 0 317.389 1.093 50 0 DDAARO COCCc1nc([C@@H]2CC[NH2+]C2)n(CCc2ccccc2)n1 ZINC000096165199 407242072 /nfs/dbraw/zinc/24/20/72/407242072.db2.gz BYRHMYCVRRFWHW-OAHLLOKOSA-N 1 0 300.406 1.787 50 0 DDAARO CCc1nc(C)c(C[N@@H+]2CCc3nc(C)n(C)c(=O)c3CC2)[nH]1 ZINC000065409956 407243712 /nfs/dbraw/zinc/24/37/12/407243712.db2.gz ITYVSVBNXBHMNZ-UHFFFAOYSA-N 1 0 315.421 1.283 50 0 DDAARO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1cn[nH]c1 ZINC000096459098 407269837 /nfs/dbraw/zinc/26/98/37/407269837.db2.gz UEXYHCQABOZUHJ-UHFFFAOYSA-N 1 0 321.425 1.814 50 0 DDAARO c1cnc(N2CCN(CCC[NH2+]C(C3CC3)C3CC3)CC2)nc1 ZINC000096476566 407271059 /nfs/dbraw/zinc/27/10/59/407271059.db2.gz CAKSTEWFGUYNGR-UHFFFAOYSA-N 1 0 315.465 1.767 50 0 DDAARO CC1CC[NH+](C[C@H](O)CSc2nnc(N(C)C)s2)CC1 ZINC000096501753 407273566 /nfs/dbraw/zinc/27/35/66/407273566.db2.gz JBCUEMZPCXVVNF-NSHDSACASA-N 1 0 316.496 1.789 50 0 DDAARO CC1([C@H]2CCC[N@H+](Cc3cc(C(N)=O)cs3)C2)OCCO1 ZINC000097108679 407281530 /nfs/dbraw/zinc/28/15/30/407281530.db2.gz KGSWKFJJYFXKMB-LBPRGKRZSA-N 1 0 310.419 1.822 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000097159797 407284019 /nfs/dbraw/zinc/28/40/19/407284019.db2.gz SGJNPAIMBNUPEN-MRXNPFEDSA-N 1 0 323.824 1.969 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000097159790 407284042 /nfs/dbraw/zinc/28/40/42/407284042.db2.gz LOTJJKGXBJDMSW-OAHLLOKOSA-N 1 0 322.478 1.946 50 0 DDAARO CCCC[N@@H+]1CC[C@H](CNC(=O)c2c(C)nc3ncccn32)C1 ZINC000067784929 407284757 /nfs/dbraw/zinc/28/47/57/407284757.db2.gz AZZKVXDWVJGLNF-CQSZACIVSA-N 1 0 315.421 1.890 50 0 DDAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cnnn2-c2ccccc2)C1 ZINC000067820415 407285109 /nfs/dbraw/zinc/28/51/09/407285109.db2.gz LFGPWELLUMHGTI-CQSZACIVSA-N 1 0 313.405 1.729 50 0 DDAARO Cc1nnc2n1C[C@@H](NC(=O)C1CC[NH+](CC(C)C)CC1)CC2 ZINC000097198948 407285913 /nfs/dbraw/zinc/28/59/13/407285913.db2.gz MRRZEOFHJLPYEQ-HNNXBMFYSA-N 1 0 319.453 1.386 50 0 DDAARO COc1cc2c(cc1CN1CCC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000067850962 407287528 /nfs/dbraw/zinc/28/75/28/407287528.db2.gz SSCNTSKPLREFRU-QGZVFWFLSA-N 1 0 304.390 1.999 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3ncccc3C)CC2)nn1 ZINC000097376363 407291894 /nfs/dbraw/zinc/29/18/94/407291894.db2.gz DJNWGVWHWQEDIV-UHFFFAOYSA-N 1 0 315.377 1.605 50 0 DDAARO CCC1CCC(C(=O)NCC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000067967331 407291981 /nfs/dbraw/zinc/29/19/81/407291981.db2.gz UKNQRFNDZCVZEP-HWOWSKLDSA-N 1 0 323.481 1.777 50 0 DDAARO C[C@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000097380081 407293022 /nfs/dbraw/zinc/29/30/22/407293022.db2.gz LWYLFEIXHOJLIQ-DOMZBBRYSA-N 1 0 321.396 1.733 50 0 DDAARO O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)N1 ZINC000067974823 407293314 /nfs/dbraw/zinc/29/33/14/407293314.db2.gz MTXAESIDWPFKID-QGZVFWFLSA-N 1 0 301.390 1.587 50 0 DDAARO O=C(Cc1cccs1)N1CCN(c2cc[nH+]cc2)C[C@@H](O)C1 ZINC000097446896 407294207 /nfs/dbraw/zinc/29/42/07/407294207.db2.gz KWMLLJSMMFOQAI-CQSZACIVSA-N 1 0 317.414 1.395 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000123579502 407332870 /nfs/dbraw/zinc/33/28/70/407332870.db2.gz JSFACDALVDEFCB-LLVKDONJSA-N 1 0 319.224 1.312 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1 ZINC000097742976 407302191 /nfs/dbraw/zinc/30/21/91/407302191.db2.gz YZYFYFONHPXBMQ-CQSZACIVSA-N 1 0 321.396 1.072 50 0 DDAARO CC(C)c1ncc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000097805575 407302891 /nfs/dbraw/zinc/30/28/91/407302891.db2.gz FZWSBFJLPFCJMR-UHFFFAOYSA-N 1 0 320.437 1.783 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000098055824 407305212 /nfs/dbraw/zinc/30/52/12/407305212.db2.gz QYAAEZUIMSTQSY-XURPKSDJSA-N 1 0 301.390 1.222 50 0 DDAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)n1 ZINC000125062031 407377939 /nfs/dbraw/zinc/37/79/39/407377939.db2.gz AFNLPFJAJCNDCM-OAHLLOKOSA-N 1 0 312.417 1.982 50 0 DDAARO CC1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cn2)CC1 ZINC000125414175 407387858 /nfs/dbraw/zinc/38/78/58/407387858.db2.gz HPKXPABHVDOJGI-AWEZNQCLSA-N 1 0 302.422 1.752 50 0 DDAARO O=C1C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1 ZINC000110677802 407399601 /nfs/dbraw/zinc/39/96/01/407399601.db2.gz WRYZXZTUYUUWRD-CRAIPNDOSA-N 1 0 314.385 1.427 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000126338149 407411344 /nfs/dbraw/zinc/41/13/44/407411344.db2.gz AUKULNNYOLIONW-VUDBWIFFSA-N 1 0 322.792 1.945 50 0 DDAARO COc1cccc([C@@H](C)N2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000195543800 407465261 /nfs/dbraw/zinc/46/52/61/407465261.db2.gz PVSZLOLQVOLVOM-PBHICJAKSA-N 1 0 319.449 1.884 50 0 DDAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1(C2CC2)CC1 ZINC000195571641 407468536 /nfs/dbraw/zinc/46/85/36/407468536.db2.gz FQGLVCWPEREQPG-ZDUSSCGKSA-N 1 0 309.454 1.663 50 0 DDAARO CC1(C(=O)N2C[C@@H]3C[NH+](C4CCCC4)CC[C@]3(CO)C2)CC1 ZINC000257176930 407480054 /nfs/dbraw/zinc/48/00/54/407480054.db2.gz VDDVNRLPKYVINV-KBXCAEBGSA-N 1 0 306.450 1.872 50 0 DDAARO CN1Cc2cccn2C[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000257182070 407483087 /nfs/dbraw/zinc/48/30/87/407483087.db2.gz GDLDZDCAAPQKBA-INIZCTEOSA-N 1 0 301.365 1.800 50 0 DDAARO O=C([C@@H]1C[NH2+]CCO1)N(Cc1nccs1)Cc1ccccc1 ZINC000215345555 407484517 /nfs/dbraw/zinc/48/45/17/407484517.db2.gz OWWKBEFGOZUVOQ-AWEZNQCLSA-N 1 0 317.414 1.660 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257195798 407489891 /nfs/dbraw/zinc/48/98/91/407489891.db2.gz WXRGGTYRZCKUHA-NWDGAFQWSA-N 1 0 316.323 1.885 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000178566874 407494765 /nfs/dbraw/zinc/49/47/65/407494765.db2.gz VDPNHANVYKIYAF-JTQLQIEISA-N 1 0 302.296 1.891 50 0 DDAARO CC(C)OC[C@H](O)C[N@@H+](C)CCSC[C@@H](O)COC(C)C ZINC000253431794 407449100 /nfs/dbraw/zinc/44/91/00/407449100.db2.gz XNPYNMBRABZBKU-CABCVRRESA-N 1 0 323.499 1.223 50 0 DDAARO Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2cccn2)no1 ZINC000253478135 407451731 /nfs/dbraw/zinc/45/17/31/407451731.db2.gz JJHJRZJZYXNYOE-OLZOCXBDSA-N 1 0 303.366 1.671 50 0 DDAARO C[C@@H]1C[C@H](NC(=O)NC2CCC3(CC2)OCCO3)C[N@@H+]1C1CC1 ZINC000128816245 407575835 /nfs/dbraw/zinc/57/58/35/407575835.db2.gz SFASIHSFSHVXJZ-OCCSQVGLSA-N 1 0 323.437 1.597 50 0 DDAARO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000225397237 407579557 /nfs/dbraw/zinc/57/95/57/407579557.db2.gz WAFSDMXKRFPDPB-UONOGXRCSA-N 1 0 300.362 1.699 50 0 DDAARO NC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000225398833 407581561 /nfs/dbraw/zinc/58/15/61/407581561.db2.gz PTZMOLPYDFXWKU-IUODEOHRSA-N 1 0 301.390 1.527 50 0 DDAARO CCC(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000225478288 407590321 /nfs/dbraw/zinc/59/03/21/407590321.db2.gz PAZNRCLLVLRGRO-ZDUSSCGKSA-N 1 0 312.435 1.931 50 0 DDAARO CCc1ncc(CN2CCC([NH+]3CCN(CC)CC3)CC2)cn1 ZINC000220437702 407541996 /nfs/dbraw/zinc/54/19/96/407541996.db2.gz AVODOJXRXZNXDX-UHFFFAOYSA-N 1 0 317.481 1.641 50 0 DDAARO Cc1nnnn1CCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000225847354 407607914 /nfs/dbraw/zinc/60/79/14/407607914.db2.gz OBTZRSDFSCWHQX-KRWDZBQOSA-N 1 0 313.405 1.546 50 0 DDAARO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235411 407657801 /nfs/dbraw/zinc/65/78/01/407657801.db2.gz WEGIZTOWBODOHK-LSDHHAIUSA-N 1 0 303.406 1.735 50 0 DDAARO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC(=O)N2)[NH+](C)C)cc1 ZINC000225518152 407593149 /nfs/dbraw/zinc/59/31/49/407593149.db2.gz IIKJUSPTRAQJGI-CVEARBPZSA-N 1 0 317.433 1.637 50 0 DDAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000230182851 407681528 /nfs/dbraw/zinc/68/15/28/407681528.db2.gz UPWXSSKOEWWWSR-OKZBNKHCSA-N 1 0 320.433 1.729 50 0 DDAARO CN(C(=O)c1ncccc1OCc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000179092938 407722324 /nfs/dbraw/zinc/72/23/24/407722324.db2.gz ZAOSNBBAAYFZCG-CQSZACIVSA-N 1 0 312.373 1.490 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000229514924 407665061 /nfs/dbraw/zinc/66/50/61/407665061.db2.gz AWGUJNUKOFXHFG-SJORKVTESA-N 1 0 321.469 1.083 50 0 DDAARO C[C@@H]1CN(C(=O)c2cnc(-c3ncccn3)s2)C[C@H](C)[NH2+]1 ZINC000153249838 407786657 /nfs/dbraw/zinc/78/66/57/407786657.db2.gz YSMWGLCFPNBTQX-AOOOYVTPSA-N 1 0 303.391 1.423 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000237956401 407855564 /nfs/dbraw/zinc/85/55/64/407855564.db2.gz YTBBGRMFXKVZAE-WCQYABFASA-N 1 0 309.360 1.741 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H](C)[NH2+]1 ZINC000153602113 407861796 /nfs/dbraw/zinc/86/17/96/407861796.db2.gz PJLBDXNLYOYYRC-CHWSQXEVSA-N 1 0 315.373 1.312 50 0 DDAARO Cc1cc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc(C)n1 ZINC000244601947 407927954 /nfs/dbraw/zinc/92/79/54/407927954.db2.gz DUWQPTMMNDTZHG-XIRDDKMYSA-N 1 0 317.433 1.567 50 0 DDAARO CC[N@@H+]1C[C@H](NC(=O)c2cn3cccc(C)c3n2)[C@@H](OC)C1 ZINC000244811367 407938365 /nfs/dbraw/zinc/93/83/65/407938365.db2.gz SBOKMBCXPTVDBL-JSGCOSHPSA-N 1 0 302.378 1.092 50 0 DDAARO Cc1nc(C)n(-c2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2)n1 ZINC000154269394 408004864 /nfs/dbraw/zinc/00/48/64/408004864.db2.gz PJAOALHOHJQKSZ-RYUDHWBXSA-N 1 0 313.405 1.707 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000151018742 408243445 /nfs/dbraw/zinc/24/34/45/408243445.db2.gz QDCVKLNCUFINRL-KRWDZBQOSA-N 1 0 317.433 1.343 50 0 DDAARO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnc2c(c1)nnn2C ZINC000182875108 408271523 /nfs/dbraw/zinc/27/15/23/408271523.db2.gz HTDDQFYMIPCNFK-CYBMUJFWSA-N 1 0 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407377495 /nfs/dbraw/zinc/37/74/95/407377495.db2.gz YRCOLUXJESXWBD-QGZVFWFLSA-N 1 0 320.437 1.420 50 0 DDAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(F)ccc(F)c1F ZINC000195567578 407467720 /nfs/dbraw/zinc/46/77/20/407467720.db2.gz UYCFUNHCYBWSSE-SNVBAGLBSA-N 1 0 316.323 1.681 50 0 DDAARO Cc1occc1C(=O)N1CCC[C@@H]1c1nncn1CC[NH+](C)C ZINC000257188110 407484681 /nfs/dbraw/zinc/48/46/81/407484681.db2.gz MJTDSYFSLCPROI-CQSZACIVSA-N 1 0 317.393 1.718 50 0 DDAARO O=C([C@H]1C[NH2+]CCO1)N(Cc1cccnc1)C1CCCCC1 ZINC000215628676 407488328 /nfs/dbraw/zinc/48/83/28/407488328.db2.gz FUODXARAZSEHRH-MRXNPFEDSA-N 1 0 303.406 1.731 50 0 DDAARO COCCCN(Cc1cccc(OC)c1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000215815067 407489531 /nfs/dbraw/zinc/48/95/31/407489531.db2.gz UFPVISLQMOYJQI-INIZCTEOSA-N 1 0 322.405 1.049 50 0 DDAARO CC(C)c1nc(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)co1 ZINC000216269794 407494357 /nfs/dbraw/zinc/49/43/57/407494357.db2.gz GDAOMZRJSUCYBU-UHFFFAOYSA-N 1 0 320.437 1.584 50 0 DDAARO 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Cn1ccc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc21 ZINC000670473754 484850901 /nfs/dbraw/zinc/85/09/01/484850901.db2.gz XEZJMLVTSZCNMM-MRXNPFEDSA-N 1 0 315.417 1.755 50 0 DDAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)c1cc(C(F)F)n[nH]1 ZINC000426707441 534625021 /nfs/dbraw/zinc/62/50/21/534625021.db2.gz OSJXDTFWGYQIDD-JTQLQIEISA-N 1 0 316.352 1.314 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000156540090 524858965 /nfs/dbraw/zinc/85/89/65/524858965.db2.gz TUQKMOVREUSIRR-AAEUAGOBSA-N 1 0 300.362 1.936 50 0 DDAARO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1nc(C)c(C)s1 ZINC000390835149 528166552 /nfs/dbraw/zinc/16/65/52/528166552.db2.gz DRFFSWITFQEQNN-GFCCVEGCSA-N 1 0 314.455 1.974 50 0 DDAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH+](C)C)c1=O ZINC000011975834 696048477 /nfs/dbraw/zinc/04/84/77/696048477.db2.gz ALXHBGJIHBYTSA-UHFFFAOYSA-N 1 0 308.765 1.890 50 0 DDAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1CCc1ccccc1F ZINC000012191387 696048619 /nfs/dbraw/zinc/04/86/19/696048619.db2.gz RMQLBKBXSHBDFE-HNNXBMFYSA-N 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C[C@H](C[NH+](C)C)C(=O)N1CCC(CNC(=O)c2ccoc2)CC1 ZINC000952968152 721528966 /nfs/dbraw/zinc/52/89/66/721528966.db2.gz JXODNAVNRSKRFW-CYBMUJFWSA-N 1 0 321.421 1.446 50 0 DDAARO CC1(C[NH2+]C[C@@H](c2ccccn2)N2CCOCC2)CCOCC1 ZINC000952971325 721529889 /nfs/dbraw/zinc/52/98/89/721529889.db2.gz NJJKWTJGUCMVNC-KRWDZBQOSA-N 1 0 319.449 1.861 50 0 DDAARO CC(C)N(C)S(=O)(=O)N(C)CCC[NH+]1CCCCCC1 ZINC000952971757 721529890 /nfs/dbraw/zinc/52/98/90/721529890.db2.gz MNAMHGOZUKLPHM-UHFFFAOYSA-N 1 0 305.488 1.769 50 0 DDAARO COc1ncc(C[NH2+]CCC(=O)Nc2ccccc2C)cn1 ZINC000952972827 721530021 /nfs/dbraw/zinc/53/00/21/721530021.db2.gz WMBNNPZODVGABB-UHFFFAOYSA-N 1 0 300.362 1.912 50 0 DDAARO COCCN1CC[C@@H](C[NH2+]Cc2coc3ccccc3c2=O)C1 ZINC000952981724 721531676 /nfs/dbraw/zinc/53/16/76/721531676.db2.gz OZMXIUJLUGVCKR-AWEZNQCLSA-N 1 0 316.401 1.851 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000952984148 721531886 /nfs/dbraw/zinc/53/18/86/721531886.db2.gz IKSQGDOYMOPNDF-CVEARBPZSA-N 1 0 315.417 1.547 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)CC[C@@H]1CO ZINC000581798162 736201451 /nfs/dbraw/zinc/20/14/51/736201451.db2.gz HHKRVRIACHRCMP-MLGOLLRUSA-N 1 0 301.390 1.553 50 0 DDAARO CO[C@H]1C[C@H]2C[N@H+](CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2C1 ZINC000675018261 737518313 /nfs/dbraw/zinc/51/83/13/737518313.db2.gz WBNIHVMEFQBMNW-BZSNNMDCSA-N 1 0 314.429 1.939 50 0 DDAARO CCc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CCOC3)CC2)on1 ZINC000823565506 758331082 /nfs/dbraw/zinc/33/10/82/758331082.db2.gz HDWGGZSFMMTBQP-CQSZACIVSA-N 1 0 321.421 1.602 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)[nH]nc2C2CC2)C1 ZINC000824412409 759178160 /nfs/dbraw/zinc/17/81/60/759178160.db2.gz NVSFHSSOXCUKTQ-LBPRGKRZSA-N 1 0 306.410 1.294 50 0 DDAARO Cn1cnnc1CCNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000827661491 759361212 /nfs/dbraw/zinc/36/12/12/759361212.db2.gz ZEPARUYZKFCXLV-UHFFFAOYSA-N 1 0 305.426 1.273 50 0 DDAARO Cn1cc(CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000827932034 759423884 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Cc1cnccc1CC[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC000952881284 775634804 /nfs/dbraw/zinc/63/48/04/775634804.db2.gz LHWXYZMEBIGWKV-UHFFFAOYSA-N 1 0 300.406 1.650 50 0 DDAARO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000401432102 876625839 /nfs/dbraw/zinc/62/58/39/876625839.db2.gz PGMBQNSSFLFMPM-CQSZACIVSA-N 1 0 305.403 1.511 50 0 DDAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](C)c2nnc(N)s2)CC1 ZINC000095520846 185376959 /nfs/dbraw/zinc/37/69/59/185376959.db2.gz UBURSEOJYIQBLX-JTQLQIEISA-N 1 0 311.455 1.808 50 0 DDAARO CN(C)S(=O)(=O)N1CCCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000082146137 282158569 /nfs/dbraw/zinc/15/85/69/282158569.db2.gz NPBBXQFNFBDAPE-CQSZACIVSA-N 1 0 303.472 1.570 50 0 DDAARO CCCc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](CCOC)C2)no1 ZINC000082107752 192356978 /nfs/dbraw/zinc/35/69/78/192356978.db2.gz LQLKRSXOAHBWEP-ZDUSSCGKSA-N 1 0 309.410 1.667 50 0 DDAARO CS(=O)(=O)c1ccc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000095392297 185351934 /nfs/dbraw/zinc/35/19/34/185351934.db2.gz UOHDIJJPEKGZBU-GFCCVEGCSA-N 1 0 306.391 1.101 50 0 DDAARO CSc1ccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nn1 ZINC000095403055 185354960 /nfs/dbraw/zinc/35/49/60/185354960.db2.gz YZZLBRICNVJTLG-CYBMUJFWSA-N 1 0 309.483 1.882 50 0 DDAARO CCN(CC)C(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000095426474 185361773 /nfs/dbraw/zinc/36/17/73/185361773.db2.gz XPNGRSWNBGIADH-MRXNPFEDSA-N 1 0 317.433 1.793 50 0 DDAARO C[C@H](CCSc1ccccc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000095428284 185362214 /nfs/dbraw/zinc/36/22/14/185362214.db2.gz RUJNUSARGJHHFU-CQSZACIVSA-N 1 0 307.463 1.660 50 0 DDAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ncn(-c2ccccc2)n1 ZINC000095454032 185369897 /nfs/dbraw/zinc/36/98/97/185369897.db2.gz PVRJXHFIYQEGPX-AWEZNQCLSA-N 1 0 315.421 1.973 50 0 DDAARO CNC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)ccc1F ZINC000426619967 529932019 /nfs/dbraw/zinc/93/20/19/529932019.db2.gz DOWGKUAMYJEGHG-TVQRCGJNSA-N 1 0 306.341 1.011 50 0 DDAARO C[NH+](C)CCNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000170618533 197792713 /nfs/dbraw/zinc/79/27/13/197792713.db2.gz STGCDKSKRLGWAY-UHFFFAOYSA-N 1 0 308.363 1.019 50 0 DDAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NC2CCOCC2)[nH]1 ZINC000071730347 191017362 /nfs/dbraw/zinc/01/73/62/191017362.db2.gz OOFSLNXJQRBIFL-KBPBESRZSA-N 1 0 320.437 1.221 50 0 DDAARO CC(C)[C@H]1CN(C(=O)CO)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071738823 191019930 /nfs/dbraw/zinc/01/99/30/191019930.db2.gz ALZDFDYBQIHVGP-MRXNPFEDSA-N 1 0 308.397 1.877 50 0 DDAARO CC[C@@H](O)C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072421464 191158005 /nfs/dbraw/zinc/15/80/05/191158005.db2.gz GPHWHZYFAMAJFO-QGZVFWFLSA-N 1 0 304.434 1.923 50 0 DDAARO C[NH+](C)[C@H]1CN(Cc2ccc(CCC(C)(C)O)cc2)C[C@@H]1O ZINC000072424421 191160272 /nfs/dbraw/zinc/16/02/72/191160272.db2.gz CXOZJDVGPBOJDF-IRXDYDNUSA-N 1 0 306.450 1.497 50 0 DDAARO Cc1ncc2c(c1CNC(=O)[C@H]1CC(C(C)C)=NO1)CC[NH2+]C2 ZINC000072435810 191165550 /nfs/dbraw/zinc/16/55/50/191165550.db2.gz WXXFROMTZUOUIU-MRXNPFEDSA-N 1 0 316.405 1.453 50 0 DDAARO Cc1ccc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000072269591 353195616 /nfs/dbraw/zinc/19/56/16/353195616.db2.gz LWEGVAVBPHLODD-ZWKOTPCHSA-N 1 0 316.445 1.985 50 0 DDAARO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000076017353 353390722 /nfs/dbraw/zinc/39/07/22/353390722.db2.gz JSFIIZFDUKPYRA-TZMCWYRMSA-N 1 0 307.394 1.389 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3ccccc3)C[C@H]2C)CC1 ZINC000076058368 353395875 /nfs/dbraw/zinc/39/58/75/353395875.db2.gz ZXDFVPCGMNTHHO-APWZRJJASA-N 1 0 315.461 1.714 50 0 DDAARO C[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000078898924 353539090 /nfs/dbraw/zinc/53/90/90/353539090.db2.gz CLBKOMSYLPQFFF-KWQFWETISA-N 1 0 306.790 1.708 50 0 DDAARO COc1ccc(-c2nsc(NC(=O)C[NH2+]C3CC3)n2)cc1 ZINC000097234147 353919095 /nfs/dbraw/zinc/91/90/95/353919095.db2.gz KXZUSJANALJKEV-UHFFFAOYSA-N 1 0 304.375 1.904 50 0 DDAARO CC(C)N(CC[NH+](C)C)C(=O)C(=O)Nc1c(F)cccc1F ZINC000130059157 354089344 /nfs/dbraw/zinc/08/93/44/354089344.db2.gz SGGKJHMJJWMCKO-UHFFFAOYSA-N 1 0 313.348 1.702 50 0 DDAARO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCNS(C)(=O)=O ZINC000190853356 354286513 /nfs/dbraw/zinc/28/65/13/354286513.db2.gz JOGLEPKFPFAVSG-UHFFFAOYSA-N 1 0 310.341 1.653 50 0 DDAARO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000195542829 354297018 /nfs/dbraw/zinc/29/70/18/354297018.db2.gz ZHQNIRXPAZVOLI-LLVKDONJSA-N 1 0 300.353 1.696 50 0 DDAARO CC1(C)[C@H](NC(=O)NCC[N@H+](CC2CC2)C2CC2)[C@@H]2CCO[C@H]21 ZINC000230153353 354325838 /nfs/dbraw/zinc/32/58/38/354325838.db2.gz HAWKUIGVCIJIHB-ARFHVFGLSA-N 1 0 321.465 1.974 50 0 DDAARO CC1(C)[C@H](NC(=O)NCC[N@H+](CC2CC2)C2CC2)[C@H]2CCO[C@H]21 ZINC000252486237 354383315 /nfs/dbraw/zinc/38/33/15/354383315.db2.gz HAWKUIGVCIJIHB-BZUAXINKSA-N 1 0 321.465 1.974 50 0 DDAARO COc1ccc(C[NH2+]CCSc2nnnn2C)c(OC)c1 ZINC000004488542 181114465 /nfs/dbraw/zinc/11/44/65/181114465.db2.gz JKURLZLQMGIBFW-UHFFFAOYSA-N 1 0 309.395 1.109 50 0 DDAARO C[NH+](C)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000004784717 181151785 /nfs/dbraw/zinc/15/17/85/181151785.db2.gz HHIMZSIQHCGSSQ-UHFFFAOYSA-N 1 0 307.213 1.289 50 0 DDAARO O=C(CCC[NH+]1CCCC1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000584900587 354799747 /nfs/dbraw/zinc/79/97/47/354799747.db2.gz NYTOZCLQKPWVGN-UHFFFAOYSA-N 1 0 302.378 1.761 50 0 DDAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]Cc2cncn2C2CC2)CC1 ZINC000584902499 354800931 /nfs/dbraw/zinc/80/09/31/354800931.db2.gz DSYNBZMVYPBKEZ-INIZCTEOSA-N 1 0 318.421 1.478 50 0 DDAARO CCO[C@@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCOC1 ZINC000585140164 354813805 /nfs/dbraw/zinc/81/38/05/354813805.db2.gz KDMAOZFHBHXCAW-KRWDZBQOSA-N 1 0 306.406 1.925 50 0 DDAARO CC(C)Nc1ccccc1C(=O)NC[C@H]1COCC[N@H+](C)C1 ZINC000584891207 354793684 /nfs/dbraw/zinc/79/36/84/354793684.db2.gz BMWKPBRDSOGSLN-CQSZACIVSA-N 1 0 305.422 1.815 50 0 DDAARO Cc1nc(CCN(C)C(=O)c2ccc(C[NH+]3CCCC3)o2)no1 ZINC000584895194 354796494 /nfs/dbraw/zinc/79/64/94/354796494.db2.gz PRLLRUNDQXRKHC-UHFFFAOYSA-N 1 0 318.377 1.882 50 0 DDAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCC(N)=O ZINC000004999690 181188278 /nfs/dbraw/zinc/18/82/78/181188278.db2.gz QBJVXJPWPZZFLI-UHFFFAOYSA-N 1 0 306.387 1.911 50 0 DDAARO CCCc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)no1 ZINC000077424352 191714364 /nfs/dbraw/zinc/71/43/64/191714364.db2.gz IHGHZQWZNLWZAL-KRWDZBQOSA-N 1 0 321.421 1.690 50 0 DDAARO Cn1ccnc1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000080194938 192011735 /nfs/dbraw/zinc/01/17/35/192011735.db2.gz XGQRBCNSJSGDOU-UHFFFAOYSA-N 1 0 300.406 1.907 50 0 DDAARO CCN1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000081256030 192241105 /nfs/dbraw/zinc/24/11/05/192241105.db2.gz TYNMLAJZBHMAAV-QGZVFWFLSA-N 1 0 317.433 1.942 50 0 DDAARO COCC[NH2+]CC(=O)N1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000237167017 202172928 /nfs/dbraw/zinc/17/29/28/202172928.db2.gz ICMAHSVUSHEVDP-WBVHZDCISA-N 1 0 320.433 1.828 50 0 DDAARO Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H]3C[NH3+])C2=O)cc1C ZINC000237629231 202310870 /nfs/dbraw/zinc/31/08/70/202310870.db2.gz ZXCRKKJGHPITMH-HOTGVXAUSA-N 1 0 315.417 1.606 50 0 DDAARO C[C@H]1CCCN(C(=O)CCOc2cccc(C(N)=O)c2)[C@@H]1C[NH3+] ZINC000237690114 202328607 /nfs/dbraw/zinc/32/86/07/202328607.db2.gz QWAYEOLVPNPDQT-SWLSCSKDSA-N 1 0 319.405 1.140 50 0 DDAARO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC[NH2+]CC1 ZINC000237780312 202351919 /nfs/dbraw/zinc/35/19/19/202351919.db2.gz ZQHKPRZINOFOMX-UHFFFAOYSA-N 1 0 304.316 1.037 50 0 DDAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000237790920 202355297 /nfs/dbraw/zinc/35/52/97/202355297.db2.gz LVXQNCUUJXVLJZ-ABAIWWIYSA-N 1 0 319.380 1.810 50 0 DDAARO C[C@@H](C[NH+](C)C)NC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000242106266 202470360 /nfs/dbraw/zinc/47/03/60/202470360.db2.gz WIHCBDWAEVLIEJ-ZDUSSCGKSA-N 1 0 308.397 1.940 50 0 DDAARO C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)n[nH]1 ZINC000192271373 200845252 /nfs/dbraw/zinc/84/52/52/200845252.db2.gz JPFLGWTVCPSQEG-MNOVXSKESA-N 1 0 317.397 1.935 50 0 DDAARO CC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000006432288 181340497 /nfs/dbraw/zinc/34/04/97/181340497.db2.gz MZLSXDXRTFGYQK-ZBFHGGJFSA-N 1 0 321.421 1.693 50 0 DDAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000195530299 201398536 /nfs/dbraw/zinc/39/85/36/201398536.db2.gz MSANXAXMBVGQFO-WMZOPIPTSA-N 1 0 320.481 1.764 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000195531000 201399849 /nfs/dbraw/zinc/39/98/49/201399849.db2.gz MOQNTXFFKGRGMZ-KGLIPLIRSA-N 1 0 303.472 1.237 50 0 DDAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)COCc2ccccc2)C1 ZINC000091460662 193059115 /nfs/dbraw/zinc/05/91/15/193059115.db2.gz JPJYPEHGKHXQJQ-IAGOWNOFSA-N 1 0 320.433 1.222 50 0 DDAARO CCCn1ncc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c1C ZINC000091518984 193067913 /nfs/dbraw/zinc/06/79/13/193067913.db2.gz KSAAHDJPYLDABW-QGZVFWFLSA-N 1 0 322.453 1.520 50 0 DDAARO CCOCC[N@@H+]1C[C@H](NC(=O)Cc2cccnc2)[C@@H](C(C)C)C1 ZINC000091645566 193084632 /nfs/dbraw/zinc/08/46/32/193084632.db2.gz OZIHZFUURVBSEM-SJORKVTESA-N 1 0 319.449 1.733 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3cc(=O)[nH]cn3)[nH]c12 ZINC000091679618 193090215 /nfs/dbraw/zinc/09/02/15/193090215.db2.gz PUOZWDPVRWJKLI-UHFFFAOYSA-N 1 0 310.357 1.518 50 0 DDAARO CC[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)n1cccn1 ZINC000091737655 193099552 /nfs/dbraw/zinc/09/95/52/193099552.db2.gz AAUWIKYVZZCBSE-HNNXBMFYSA-N 1 0 306.410 1.157 50 0 DDAARO COCC[C@]1(O)CC[N@H+](CCC(=O)NC2CCCC2)C[C@H]1C ZINC000091757278 193103209 /nfs/dbraw/zinc/10/32/09/193103209.db2.gz OUOYVYAZDJALEI-RHSMWYFYSA-N 1 0 312.454 1.545 50 0 DDAARO CCN1CC2(CCC1=O)CC[NH+](CCc1nccn1C)CC2 ZINC000091986732 193137616 /nfs/dbraw/zinc/13/76/16/193137616.db2.gz WJGRHRBJODCXPV-UHFFFAOYSA-N 1 0 304.438 1.687 50 0 DDAARO Cc1cc(C)c(C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)cn1 ZINC000092107232 193160446 /nfs/dbraw/zinc/16/04/46/193160446.db2.gz ISYMOPILTMBMNW-HUUCEWRRSA-N 1 0 305.422 1.331 50 0 DDAARO O=C(CCn1cccn1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093065322 193199447 /nfs/dbraw/zinc/19/94/47/193199447.db2.gz AKIXESOIFBVNOV-UHFFFAOYSA-N 1 0 313.405 1.701 50 0 DDAARO C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262642284 203362165 /nfs/dbraw/zinc/36/21/65/203362165.db2.gz LQEDFMKZMZESHW-FMKPAKJESA-N 1 0 302.422 1.414 50 0 DDAARO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000094345792 193363570 /nfs/dbraw/zinc/36/35/70/193363570.db2.gz IZUXPLKGTFFIKG-JOYOIKCWSA-N 1 0 322.352 1.982 50 0 DDAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCN3CCCCC3)C2=O)cc1 ZINC000019898734 182161952 /nfs/dbraw/zinc/16/19/52/182161952.db2.gz ALZQCYDLJRJNEM-INIZCTEOSA-N 1 0 315.417 1.702 50 0 DDAARO CC[C@@H](C)c1n[nH]c2c1CN(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000019866948 182157911 /nfs/dbraw/zinc/15/79/11/182157911.db2.gz CJSUWAPUIZGNGK-NEPJUHHUSA-N 1 0 306.410 1.186 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1CC(C)C ZINC000023159383 182352123 /nfs/dbraw/zinc/35/21/23/182352123.db2.gz DTEJBAOWIFJEJI-MSOLQXFVSA-N 1 0 315.461 1.588 50 0 DDAARO CCOc1ccc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000023387110 182359486 /nfs/dbraw/zinc/35/94/86/182359486.db2.gz RERYVNGTAMEQBU-CQSZACIVSA-N 1 0 322.405 1.022 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000024102194 182375211 /nfs/dbraw/zinc/37/52/11/182375211.db2.gz CUJNOIJHEVQPMQ-UHFFFAOYSA-N 1 0 315.439 1.836 50 0 DDAARO Cn1cc([C@]2(C)CN(C(=O)c3ccc(C[NH3+])cc3)CCO2)cn1 ZINC000237714680 248570583 /nfs/dbraw/zinc/57/05/83/248570583.db2.gz FOIGYKRNXUWTLT-KRWDZBQOSA-N 1 0 314.389 1.267 50 0 DDAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000040089140 183033065 /nfs/dbraw/zinc/03/30/65/183033065.db2.gz VCQUCARGHYCDFA-KRWDZBQOSA-N 1 0 302.418 1.989 50 0 DDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@H]12 ZINC000333522576 249010639 /nfs/dbraw/zinc/01/06/39/249010639.db2.gz GUXVBRNNKXQZTJ-LQKXBSAESA-N 1 0 315.417 1.931 50 0 DDAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000058263954 184095203 /nfs/dbraw/zinc/09/52/03/184095203.db2.gz YZDXDKJHFSKOOG-UHFFFAOYSA-N 1 0 319.405 1.153 50 0 DDAARO CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000058325988 184105074 /nfs/dbraw/zinc/10/50/74/184105074.db2.gz QOAKHHLDCRUTMF-HIFRSBDPSA-N 1 0 304.390 1.867 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000058392394 184111831 /nfs/dbraw/zinc/11/18/31/184111831.db2.gz YSWUTKZSOIVFKM-OAHLLOKOSA-N 1 0 324.375 1.896 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1nncn1-c1ccccc1)CN2 ZINC000058394272 184112521 /nfs/dbraw/zinc/11/25/21/184112521.db2.gz SIQUJLNHYZNOPE-AWEZNQCLSA-N 1 0 323.404 1.604 50 0 DDAARO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058405673 184113879 /nfs/dbraw/zinc/11/38/79/184113879.db2.gz TYSNNUHQRNFXMI-ZBFHGGJFSA-N 1 0 304.390 1.678 50 0 DDAARO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058458122 184119340 /nfs/dbraw/zinc/11/93/40/184119340.db2.gz OQIOLERBQQCRID-LBPRGKRZSA-N 1 0 319.361 1.180 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000063194275 184277511 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Cc1cnn(C)c1CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000685943254 539567516 /nfs/dbraw/zinc/56/75/16/539567516.db2.gz IRZBSNFHKBOQFV-HNNXBMFYSA-N 1 0 306.454 1.804 50 0 DDAARO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1CC ZINC000069840682 190825357 /nfs/dbraw/zinc/82/53/57/190825357.db2.gz GQNKEYRLHGXHOX-GJZGRUSLSA-N 1 0 313.486 1.722 50 0 DDAARO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000071754824 191024615 /nfs/dbraw/zinc/02/46/15/191024615.db2.gz FFJHOHLLMQBBMT-UHFFFAOYSA-N 1 0 318.826 1.721 50 0 DDAARO Cc1nccc(-c2ccccc2)c1C(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000072145418 191050654 /nfs/dbraw/zinc/05/06/54/191050654.db2.gz DSXWGQUJULLQLJ-SFHVURJKSA-N 1 0 311.385 1.511 50 0 DDAARO CCc1nccn1CCNC(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072163783 191063762 /nfs/dbraw/zinc/06/37/62/191063762.db2.gz GBTRCQYIVHQJOV-MRXNPFEDSA-N 1 0 312.417 1.952 50 0 DDAARO COc1ccc(/C=C/CN2CCO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC000072166489 191066754 /nfs/dbraw/zinc/06/67/54/191066754.db2.gz 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C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O ZINC000193202489 201006127 /nfs/dbraw/zinc/00/61/27/201006127.db2.gz WCRLQVUPBQJREK-QWRGUYRKSA-N 1 0 313.423 1.363 50 0 DDAARO C[N@H+]1C[C@H]2CN(C(=O)c3ncccc3Br)C[C@H]2C1 ZINC000194354648 201209605 /nfs/dbraw/zinc/20/96/05/201209605.db2.gz DWCJCQHYCAOGKF-AOOOYVTPSA-N 1 0 310.195 1.478 50 0 DDAARO Cc1nccn1CCC[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000244795792 202498025 /nfs/dbraw/zinc/49/80/25/202498025.db2.gz RNSRGOQTZHMEEM-UHFFFAOYSA-N 1 0 314.437 1.811 50 0 DDAARO O=C(CCc1ccc(F)cc1)N[C@H]1C[N@@H+](CCO)C[C@@H]1C1CC1 ZINC000091350809 193045336 /nfs/dbraw/zinc/04/53/36/193045336.db2.gz ASPTYSJNYZSFIM-SJORKVTESA-N 1 0 320.408 1.577 50 0 DDAARO C[N@@H+]1CCC[C@H](CCC(=O)N(CCO)Cc2nccs2)C1 ZINC000091535767 193070999 /nfs/dbraw/zinc/07/09/99/193070999.db2.gz YSTZRTOSFIVTJW-CYBMUJFWSA-N 1 0 311.451 1.586 50 0 DDAARO Cc1[nH+]c(N)nc(NCCc2noc([C@H]3CCCO3)n2)c1C ZINC000091679380 193089889 /nfs/dbraw/zinc/08/98/89/193089889.db2.gz 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ZINC000093057348 193198783 /nfs/dbraw/zinc/19/87/83/193198783.db2.gz HPXFPHRKMVUPKI-SJORKVTESA-N 1 0 321.465 1.208 50 0 DDAARO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000094345717 193363411 /nfs/dbraw/zinc/36/34/11/193363411.db2.gz APEVGEIMINCIOT-KOLCDFICSA-N 1 0 322.352 1.982 50 0 DDAARO O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095357991 193430124 /nfs/dbraw/zinc/43/01/24/193430124.db2.gz UECQNXAWVGEIQZ-MRXNPFEDSA-N 1 0 317.433 1.631 50 0 DDAARO O=C(Nc1ccc2c(c1)CCO2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000095947741 193455066 /nfs/dbraw/zinc/45/50/66/193455066.db2.gz WWDSMFHTDLRLQO-UHFFFAOYSA-N 1 0 313.361 1.390 50 0 DDAARO CN(C)C(=O)C1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000096482584 193663853 /nfs/dbraw/zinc/66/38/53/193663853.db2.gz BOYOYDHAXFFMHM-MRXNPFEDSA-N 1 0 317.433 1.273 50 0 DDAARO COc1ccc2c(c1)C[C@@H](NC(=O)NCC[NH+]1CCCC1)CO2 ZINC000015820899 182018903 /nfs/dbraw/zinc/01/89/03/182018903.db2.gz CAAIRSJXLRWBLO-CQSZACIVSA-N 1 0 319.405 1.394 50 0 DDAARO COc1cccc(OC)c1OC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000019708466 182137154 /nfs/dbraw/zinc/13/71/54/182137154.db2.gz XWAXLBKGEMYLDV-CQSZACIVSA-N 1 0 308.422 1.966 50 0 DDAARO COCCN1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000020543106 182229414 /nfs/dbraw/zinc/22/94/14/182229414.db2.gz XVYQEKMQOHQYJK-SFHVURJKSA-N 1 0 318.417 1.045 50 0 DDAARO CCN(C(=O)C[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000020949043 182255874 /nfs/dbraw/zinc/25/58/74/182255874.db2.gz LKEYORNGTCZJLE-GFCCVEGCSA-N 1 0 307.369 1.376 50 0 DDAARO CCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127464 182349256 /nfs/dbraw/zinc/34/92/56/182349256.db2.gz AMCAKEDRWWVIBZ-UHFFFAOYSA-N 1 0 307.394 1.134 50 0 DDAARO COCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038489568 183000429 /nfs/dbraw/zinc/00/04/29/183000429.db2.gz VLJMOBOXWODQJS-UHFFFAOYSA-N 1 0 305.422 1.844 50 0 DDAARO CC1(C)CC(NC(=O)C(=O)Nc2cccc(O)c2)CC(C)(C)[NH2+]1 ZINC000040284314 183050425 /nfs/dbraw/zinc/05/04/25/183050425.db2.gz DZVDODULAPDQLL-UHFFFAOYSA-N 1 0 319.405 1.756 50 0 DDAARO NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000040459255 183069850 /nfs/dbraw/zinc/06/98/50/183069850.db2.gz URRRVUQTQIPYHS-CYBMUJFWSA-N 1 0 312.797 1.277 50 0 DDAARO COc1cc(Cl)cc(CNCC[NH2+]CCO)c1OC(C)C ZINC000040719563 183123468 /nfs/dbraw/zinc/12/34/68/183123468.db2.gz AHKSUEZFJFXCTH-UHFFFAOYSA-N 1 0 316.829 1.807 50 0 DDAARO Cc1cc(C[C@H](C)NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)[nH]n1 ZINC000333991283 249172362 /nfs/dbraw/zinc/17/23/62/249172362.db2.gz KGBSKNZIURLROH-STQMWFEESA-N 1 0 319.453 1.775 50 0 DDAARO NS(=O)(=O)CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000104377025 194003876 /nfs/dbraw/zinc/00/38/76/194003876.db2.gz SFQUFCATHNHGPX-UHFFFAOYSA-N 1 0 314.426 1.759 50 0 DDAARO C[C@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000106585469 194234480 /nfs/dbraw/zinc/23/44/80/194234480.db2.gz QOHUFLOPFABEAE-DZGCQCFKSA-N 1 0 317.389 1.596 50 0 DDAARO CCCSc1ncc(C[NH2+]CCN2CCC(O)CC2)cn1 ZINC000055211416 183971127 /nfs/dbraw/zinc/97/11/27/183971127.db2.gz HOTIKGHROZJSDX-UHFFFAOYSA-N 1 0 310.467 1.525 50 0 DDAARO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000057557128 184042154 /nfs/dbraw/zinc/04/21/54/184042154.db2.gz JYXVPLRIWTUPEX-LLVKDONJSA-N 1 0 319.796 1.745 50 0 DDAARO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000057944915 184063550 /nfs/dbraw/zinc/06/35/50/184063550.db2.gz LDEDPFVTJAQDCI-HUUCEWRRSA-N 1 0 306.406 1.301 50 0 DDAARO Cc1c(NC(=O)C[N@H+](C)C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000058015362 184067427 /nfs/dbraw/zinc/06/74/27/184067427.db2.gz VLUSPXQYNYTGOU-UHFFFAOYSA-N 1 0 314.389 1.517 50 0 DDAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2F)C1 ZINC000058264909 184095880 /nfs/dbraw/zinc/09/58/80/184095880.db2.gz OUOATCYCEYZAOX-GFCCVEGCSA-N 1 0 322.384 1.535 50 0 DDAARO CC[NH+]1CCC(NC(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000058264756 184095995 /nfs/dbraw/zinc/09/59/95/184095995.db2.gz LDLPKVRGRMBLTD-CQSZACIVSA-N 1 0 318.417 1.847 50 0 DDAARO CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058394260 184112516 /nfs/dbraw/zinc/11/25/16/184112516.db2.gz QBCJFUXOENESQA-ZIAGYGMSSA-N 1 0 304.390 1.678 50 0 DDAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(F)c1 ZINC000060359764 184147206 /nfs/dbraw/zinc/14/72/06/184147206.db2.gz ITXHOGUFFOFYPJ-HNNXBMFYSA-N 1 0 321.396 1.498 50 0 DDAARO COCCN(CC1CC1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065381551 184331995 /nfs/dbraw/zinc/33/19/95/184331995.db2.gz UBTLTLNRQWVHOA-UHFFFAOYSA-N 1 0 300.406 1.994 50 0 DDAARO CN(Cc1ccoc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065409464 184340318 /nfs/dbraw/zinc/34/03/18/184340318.db2.gz YUISLLKJNHSHEF-GFCCVEGCSA-N 1 0 303.366 1.143 50 0 DDAARO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000065423918 184341847 /nfs/dbraw/zinc/34/18/47/184341847.db2.gz IAXYBYIWEHDDGC-LBPRGKRZSA-N 1 0 321.396 1.592 50 0 DDAARO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1nncn1C ZINC000065437152 184345565 /nfs/dbraw/zinc/34/55/65/184345565.db2.gz KIRQDNRTXVERLI-CHWSQXEVSA-N 1 0 306.414 1.146 50 0 DDAARO C[C@@H](CNC(=O)Nc1ccc(-n2cncn2)nc1)[NH+]1CCCC1 ZINC000065452447 184346997 /nfs/dbraw/zinc/34/69/97/184346997.db2.gz KUXCCKAHJQWIFA-LBPRGKRZSA-N 1 0 315.381 1.268 50 0 DDAARO Cc1nnsc1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065461281 184348970 /nfs/dbraw/zinc/34/89/70/184348970.db2.gz OOOXLIGOVXOZRB-UHFFFAOYSA-N 1 0 319.415 1.312 50 0 DDAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000065552552 184364827 /nfs/dbraw/zinc/36/48/27/184364827.db2.gz CLVGTTQSFWWYPO-CYBMUJFWSA-N 1 0 313.405 1.583 50 0 DDAARO COc1cc2c(cc1C[NH2+]C[C@H]1CN(C)CCO1)O[C@@H](C)C2 ZINC000065611292 184373345 /nfs/dbraw/zinc/37/33/45/184373345.db2.gz NATVBFDLAFDMRR-WFASDCNBSA-N 1 0 306.406 1.439 50 0 DDAARO COC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000065587359 184369640 /nfs/dbraw/zinc/36/96/40/184369640.db2.gz MDNURRHZYZPQAV-CYBMUJFWSA-N 1 0 306.410 1.747 50 0 DDAARO CCN1C[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000065591520 184370078 /nfs/dbraw/zinc/37/00/78/184370078.db2.gz OEPLFHNVPLREAQ-OLZOCXBDSA-N 1 0 309.435 1.335 50 0 DDAARO CC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065605093 184371401 /nfs/dbraw/zinc/37/14/01/184371401.db2.gz NYOUKBBILAYIGR-QGZVFWFLSA-N 1 0 317.433 1.684 50 0 DDAARO O=C(C1C[NH2+]C1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067833957 184488107 /nfs/dbraw/zinc/48/81/07/184488107.db2.gz QKQXERIMQLZREL-ZWKOTPCHSA-N 1 0 310.397 1.736 50 0 DDAARO Cc1cc(NC(=O)CC[NH+]2CCC(c3ccnn3C)CC2)no1 ZINC000069371123 184510095 /nfs/dbraw/zinc/51/00/95/184510095.db2.gz HTYRTFFODCYQBC-UHFFFAOYSA-N 1 0 317.393 1.925 50 0 DDAARO O=C1CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]2N1CCCO ZINC000072474223 296330941 /nfs/dbraw/zinc/33/09/41/296330941.db2.gz WJORAEOQHIDMLT-NWDGAFQWSA-N 1 0 308.344 1.634 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000361722796 257236163 /nfs/dbraw/zinc/23/61/63/257236163.db2.gz CVXUYQJEOYSYMU-BZUAXINKSA-N 1 0 309.454 1.088 50 0 DDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000237390988 257239413 /nfs/dbraw/zinc/23/94/13/257239413.db2.gz NNQJBYQDHZNIEY-DGCLKSJQSA-N 1 0 323.824 1.877 50 0 DDAARO C[NH+](C)CCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O ZINC000071282616 257270273 /nfs/dbraw/zinc/27/02/73/257270273.db2.gz UJXZBOIXZZOQQQ-UHFFFAOYSA-N 1 0 309.369 1.714 50 0 DDAARO C/C=C/c1ccc(OCC(=O)N2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000124692370 195668014 /nfs/dbraw/zinc/66/80/14/195668014.db2.gz FZFSTIVUFMTJEG-MUBLQREKSA-N 1 0 304.390 1.927 50 0 DDAARO COc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000000084384 406620755 /nfs/dbraw/zinc/62/07/55/406620755.db2.gz GCMIKSOBZPKBLG-KBPBESRZSA-N 1 0 304.346 1.096 50 0 DDAARO CC[NH+](CC)CCCNCC(=O)Nc1ccccc1C(=O)OC ZINC000002649492 406694603 /nfs/dbraw/zinc/69/46/03/406694603.db2.gz NBFKIDFOVISKHR-UHFFFAOYSA-N 1 0 321.421 1.733 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)c2cccc3ncccc32)CC1 ZINC000069351727 406700750 /nfs/dbraw/zinc/70/07/50/406700750.db2.gz DSECSFHOEGTSCU-UHFFFAOYSA-N 1 0 312.417 1.602 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000069627623 406746761 /nfs/dbraw/zinc/74/67/61/406746761.db2.gz IIYYRLGDSLOROP-JKSUJKDBSA-N 1 0 319.449 1.238 50 0 DDAARO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccnc1 ZINC000007094872 406749611 /nfs/dbraw/zinc/74/96/11/406749611.db2.gz IILBJSSWNYNORD-UHFFFAOYSA-N 1 0 305.403 1.291 50 0 DDAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000069780177 406772329 /nfs/dbraw/zinc/77/23/29/406772329.db2.gz PYICEHCPUVVIML-OAHLLOKOSA-N 1 0 314.389 1.412 50 0 DDAARO Cc1cccc(C(=O)NCC[NH2+]C[C@H]2CNc3ccnn3C2)c1 ZINC000069454128 406714157 /nfs/dbraw/zinc/71/41/57/406714157.db2.gz IFDBZYBWVVRDOH-AWEZNQCLSA-N 1 0 313.405 1.253 50 0 DDAARO COCC[N@H+](C)CCNC(=O)COc1ccc2ccccc2c1 ZINC000069492532 406721910 /nfs/dbraw/zinc/72/19/10/406721910.db2.gz DZLZRBRVEVNAOV-UHFFFAOYSA-N 1 0 316.401 1.913 50 0 DDAARO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000069490006 406723436 /nfs/dbraw/zinc/72/34/36/406723436.db2.gz DQISXWOEADLYJB-CVEARBPZSA-N 1 0 300.406 1.366 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CCCCCC1=O ZINC000069518003 406727586 /nfs/dbraw/zinc/72/75/86/406727586.db2.gz SEXJRRRCESKPDD-CVEARBPZSA-N 1 0 321.465 1.864 50 0 DDAARO CCn1ccnc1CN1CC[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000069518040 406727713 /nfs/dbraw/zinc/72/77/13/406727713.db2.gz VYMNKXQWSCGXSR-HOTGVXAUSA-N 1 0 306.454 1.978 50 0 DDAARO Cc1nc(CN2CCC[C@H]([NH2+]Cc3cnc(C)s3)C2)no1 ZINC000069849085 406781230 /nfs/dbraw/zinc/78/12/30/406781230.db2.gz REVLVFFKPYLKOF-LBPRGKRZSA-N 1 0 307.423 1.897 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000069875353 406785301 /nfs/dbraw/zinc/78/53/01/406785301.db2.gz YIEJEAZGYRONSG-HOTGVXAUSA-N 1 0 318.425 1.007 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCCN2CCCC2=O)n1 ZINC000069901866 406789114 /nfs/dbraw/zinc/78/91/14/406789114.db2.gz LRMQPZAWJHEJGG-INIZCTEOSA-N 1 0 319.453 1.762 50 0 DDAARO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724588 406793076 /nfs/dbraw/zinc/79/30/76/406793076.db2.gz UAOZCCHYXWDSEA-NWDGAFQWSA-N 1 0 307.394 1.527 50 0 DDAARO CCNC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724591 406793109 /nfs/dbraw/zinc/79/31/09/406793109.db2.gz UAOZCCHYXWDSEA-NEPJUHHUSA-N 1 0 307.394 1.527 50 0 DDAARO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000069972250 406799462 /nfs/dbraw/zinc/79/94/62/406799462.db2.gz RHIOEGQKRBNZDR-UHFFFAOYSA-N 1 0 312.797 1.793 50 0 DDAARO CCCC[N@H+](CCO)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000070947540 406829472 /nfs/dbraw/zinc/82/94/72/406829472.db2.gz HPAXCFGLTSNAAV-CQSZACIVSA-N 1 0 314.426 1.025 50 0 DDAARO CC(C)(C)C[N@@H+]1CCC[C@@H](n2cc(C(=O)NCCCO)nn2)C1 ZINC000011813274 406829975 /nfs/dbraw/zinc/82/99/75/406829975.db2.gz RFRNIJZJBHYVGK-CYBMUJFWSA-N 1 0 323.441 1.073 50 0 DDAARO Cc1ccc(F)cc1C[NH2+]C[C@]1(O)CCCN(CC2CC2)C1=O ZINC000011934620 406832991 /nfs/dbraw/zinc/83/29/91/406832991.db2.gz AVGAWEHVFSPUPZ-GOSISDBHSA-N 1 0 320.408 1.987 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccnc(N(C)C)c1 ZINC000071825208 406847629 /nfs/dbraw/zinc/84/76/29/406847629.db2.gz MYNIOLFUHUGVJM-UHFFFAOYSA-N 1 0 303.410 1.243 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000071832854 406850441 /nfs/dbraw/zinc/85/04/41/406850441.db2.gz QVFGYWABTKLKOH-OAHLLOKOSA-N 1 0 301.394 1.433 50 0 DDAARO Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)c1 ZINC000071866136 406855236 /nfs/dbraw/zinc/85/52/36/406855236.db2.gz XKIWTGHULVINLW-HOTGVXAUSA-N 1 0 320.437 1.293 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)o1 ZINC000071870444 406856676 /nfs/dbraw/zinc/85/66/76/406856676.db2.gz BXLLFGDQJALSAT-GJZGRUSLSA-N 1 0 319.405 1.615 50 0 DDAARO NC(=O)c1ccc[n+](CCOc2ccc(Br)cc2)c1 ZINC000013135256 406859308 /nfs/dbraw/zinc/85/93/08/406859308.db2.gz VMUSIIDXUJSHAJ-UHFFFAOYSA-O 1 0 322.182 1.915 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2c(Cl)nc3sccn23)C1 ZINC000071880834 406860758 /nfs/dbraw/zinc/86/07/58/406860758.db2.gz KIRBXKKNSYVYPH-SNVBAGLBSA-N 1 0 314.842 1.860 50 0 DDAARO COc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc(OC)c1 ZINC000071880863 406861406 /nfs/dbraw/zinc/86/14/06/406861406.db2.gz ALBNYBDRCXLONC-KRWDZBQOSA-N 1 0 306.406 1.657 50 0 DDAARO CCC(CO)(CO)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000014230140 406874256 /nfs/dbraw/zinc/87/42/56/406874256.db2.gz GTVDKTALJWWNHC-CQSZACIVSA-N 1 0 311.422 1.273 50 0 DDAARO O=C([O-])[C@@H]1CC2(C[N@@H+]1Cc1nc3ccccc3[nH]1)CC[NH2+]CC2 ZINC000072151916 406875019 /nfs/dbraw/zinc/87/50/19/406875019.db2.gz NJRHTCOETAVQMW-AWEZNQCLSA-N 1 0 314.389 1.592 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000072149707 406875149 /nfs/dbraw/zinc/87/51/49/406875149.db2.gz KHXMYSPSLDNUFL-KRWDZBQOSA-N 1 0 320.389 1.334 50 0 DDAARO CC[C@@H]1CN(c2nc(C)cc(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000072276335 406876973 /nfs/dbraw/zinc/87/69/73/406876973.db2.gz YRPCXCIUJZBLCR-ZIAGYGMSSA-N 1 0 307.442 1.132 50 0 DDAARO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000072271492 406877652 /nfs/dbraw/zinc/87/76/52/406877652.db2.gz OJXGJGSQFGVINO-AWEZNQCLSA-N 1 0 323.441 1.923 50 0 DDAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]CC1CC1 ZINC000015076114 406878871 /nfs/dbraw/zinc/87/88/71/406878871.db2.gz LCFKPXGYBMHBFR-QGZVFWFLSA-N 1 0 324.371 1.818 50 0 DDAARO O=S(=O)(NC1CCCCC1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020397965 406887941 /nfs/dbraw/zinc/88/79/41/406887941.db2.gz VLYMRMYOLJPOBD-UHFFFAOYSA-N 1 0 323.462 1.707 50 0 DDAARO O=C1NCCCC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000023283202 406891530 /nfs/dbraw/zinc/89/15/30/406891530.db2.gz GEDCMVGELZYCAQ-SFHVURJKSA-N 1 0 315.461 1.952 50 0 DDAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000012386405 406844102 /nfs/dbraw/zinc/84/41/02/406844102.db2.gz KCAUPDUTTCBSNC-KRWDZBQOSA-N 1 0 306.406 1.831 50 0 DDAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCc1ccncc1 ZINC000028727068 406918819 /nfs/dbraw/zinc/91/88/19/406918819.db2.gz MJUJQUWZJXJRJR-ZDUSSCGKSA-N 1 0 319.430 1.965 50 0 DDAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCC[NH+](C)C)c1C ZINC000075352793 406930862 /nfs/dbraw/zinc/93/08/62/406930862.db2.gz ONJIBUCWPGTBLV-UHFFFAOYSA-N 1 0 309.410 1.419 50 0 DDAARO COCCOc1ncccc1C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000076051632 406952029 /nfs/dbraw/zinc/95/20/29/406952029.db2.gz SNKNQCSTULRFEL-OCCSQVGLSA-N 1 0 307.394 1.129 50 0 DDAARO CCCn1nc2c(cc1=O)C[N@@H+](CCCN1CCCC1=O)CC2 ZINC000076064639 406952758 /nfs/dbraw/zinc/95/27/58/406952758.db2.gz LAWKCSYHUPISTR-UHFFFAOYSA-N 1 0 318.421 1.024 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccccc2)C1 ZINC000032826270 406954492 /nfs/dbraw/zinc/95/44/92/406954492.db2.gz YDGYOMQJMALAAL-QGZVFWFLSA-N 1 0 319.449 1.885 50 0 DDAARO O[C@@H](CN1CCOCC1)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000044871060 407031165 /nfs/dbraw/zinc/03/11/65/407031165.db2.gz UCRXEUMELYFUSU-KRWDZBQOSA-N 1 0 308.397 1.483 50 0 DDAARO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)n1cncn1 ZINC000045196088 407040667 /nfs/dbraw/zinc/04/06/67/407040667.db2.gz XGVPJTZSRXIUNF-GDBMZVCRSA-N 1 0 313.405 1.792 50 0 DDAARO CS(=O)(=O)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000037740696 406993276 /nfs/dbraw/zinc/99/32/76/406993276.db2.gz HAOWGKBEYWKXOU-UHFFFAOYSA-N 1 0 305.783 1.245 50 0 DDAARO Cn1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc2ccc(Cl)cc21 ZINC000077520508 406994351 /nfs/dbraw/zinc/99/43/51/406994351.db2.gz INDWCDAPPBMQCO-BXUZGUMPSA-N 1 0 307.781 1.284 50 0 DDAARO CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000084736449 407094499 /nfs/dbraw/zinc/09/44/99/407094499.db2.gz PGGYZSXEFHOUIK-CJNGLKHVSA-N 1 0 323.481 1.068 50 0 DDAARO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436662 407101437 /nfs/dbraw/zinc/10/14/37/407101437.db2.gz FBNIXMKXEWMRFA-MRXNPFEDSA-N 1 0 322.836 1.798 50 0 DDAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccco2)CC1 ZINC000085468079 407102545 /nfs/dbraw/zinc/10/25/45/407102545.db2.gz IPXMAYWLNQAHMZ-AWEZNQCLSA-N 1 0 305.422 1.768 50 0 DDAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000047886448 407083205 /nfs/dbraw/zinc/08/32/05/407083205.db2.gz FVKCPOPNWSORBP-HNNXBMFYSA-N 1 0 316.449 1.906 50 0 DDAARO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000089420375 407133233 /nfs/dbraw/zinc/13/32/33/407133233.db2.gz MLSCLLGJXRGSPH-SFHVURJKSA-N 1 0 318.417 1.562 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000089414207 407133294 /nfs/dbraw/zinc/13/32/94/407133294.db2.gz BQDYLPLEHRVFPH-LSDHHAIUSA-N 1 0 306.406 1.858 50 0 DDAARO C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000091693664 407182893 /nfs/dbraw/zinc/18/28/93/407182893.db2.gz ZBPUHFGPQGJOHB-SHCNBLLESA-N 1 0 321.465 1.745 50 0 DDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000054511292 407185764 /nfs/dbraw/zinc/18/57/64/407185764.db2.gz XZGRXGNIQURZEQ-AWEZNQCLSA-N 1 0 310.442 1.015 50 0 DDAARO CCOc1ccccc1NC(=O)CC(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000055166554 407197057 /nfs/dbraw/zinc/19/70/57/407197057.db2.gz CALVKDNBAHCMHP-CYBMUJFWSA-N 1 0 319.405 1.576 50 0 DDAARO CCOc1cccc(CN(CCO)C(=O)[C@@H](C)[NH+]2CCCC2)c1 ZINC000055242486 407198536 /nfs/dbraw/zinc/19/85/36/407198536.db2.gz HHWLDGVYHMKTRS-OAHLLOKOSA-N 1 0 320.433 1.891 50 0 DDAARO Cc1nc(CCNC(=O)CC2CC[NH+](C(C)C)CC2)cc(=O)[nH]1 ZINC000095361550 407209205 /nfs/dbraw/zinc/20/92/05/407209205.db2.gz CMKFSDICAOICOJ-UHFFFAOYSA-N 1 0 320.437 1.248 50 0 DDAARO CCO[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095362775 407209363 /nfs/dbraw/zinc/20/93/63/407209363.db2.gz RAFNCIUJJVZUFS-RDJZCZTQSA-N 1 0 319.380 1.476 50 0 DDAARO CSc1ncc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)n1C ZINC000095372705 407211286 /nfs/dbraw/zinc/21/12/86/407211286.db2.gz IQKUOTLDFLJRFT-LBPRGKRZSA-N 1 0 310.467 1.880 50 0 DDAARO O=C(CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCCC1 ZINC000095380610 407212678 /nfs/dbraw/zinc/21/26/78/407212678.db2.gz XHWCYQAUAMMFKY-MRXNPFEDSA-N 1 0 315.417 1.506 50 0 DDAARO COC(=O)[C@H]1CC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095919658 407214943 /nfs/dbraw/zinc/21/49/43/407214943.db2.gz DRUJCAWXFFYOAX-GJZGRUSLSA-N 1 0 302.374 1.282 50 0 DDAARO CCC[N@H+](CCC(=O)NC(N)=O)[C@@H]1CCc2ccccc2C1 ZINC000058157720 407218988 /nfs/dbraw/zinc/21/89/88/407218988.db2.gz IKYGETGAACWZFV-OAHLLOKOSA-N 1 0 303.406 1.841 50 0 DDAARO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000095990141 407221825 /nfs/dbraw/zinc/22/18/25/407221825.db2.gz VYSZDPBYMOIBOU-CYBMUJFWSA-N 1 0 303.385 1.940 50 0 DDAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](CCC(N)=O)CC3)c1 ZINC000096138671 407239208 /nfs/dbraw/zinc/23/92/08/407239208.db2.gz OZROOFCCVDUKKT-UHFFFAOYSA-N 1 0 300.362 1.319 50 0 DDAARO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1cocn1)Cc1cocn1 ZINC000096142050 407240881 /nfs/dbraw/zinc/24/08/81/407240881.db2.gz BUZHHHOSYWXENA-AWEZNQCLSA-N 1 0 316.361 1.581 50 0 DDAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)Nc1ccc(Cl)nc1 ZINC000096152467 407241037 /nfs/dbraw/zinc/24/10/37/407241037.db2.gz OVLQYAVWMSTPLP-NSHDSACASA-N 1 0 312.801 1.561 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](C)CN1CCCC1=O ZINC000065474704 407243011 /nfs/dbraw/zinc/24/30/11/407243011.db2.gz KGHCPKGTIZRVBE-LBPRGKRZSA-N 1 0 307.442 1.143 50 0 DDAARO CCc1ncc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000102317060 407321615 /nfs/dbraw/zinc/32/16/15/407321615.db2.gz QIXHULYXEXNCDW-UHFFFAOYSA-N 1 0 301.394 1.907 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNc2ccccc2OC)C1 ZINC000096432440 407265866 /nfs/dbraw/zinc/26/58/66/407265866.db2.gz UIAQTIHXXMAFRZ-AWEZNQCLSA-N 1 0 305.422 1.907 50 0 DDAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)NN1CCOCC1 ZINC000096435944 407266126 /nfs/dbraw/zinc/26/61/26/407266126.db2.gz KWNRZRFGSRCTFU-UHFFFAOYSA-N 1 0 303.362 1.471 50 0 DDAARO O=C(C1CCCC1)N1CCN(CC[NH2+][C@@H]2CCSC2)CC1 ZINC000096477533 407270778 /nfs/dbraw/zinc/27/07/78/407270778.db2.gz BZTFIHCINWPKTQ-OAHLLOKOSA-N 1 0 311.495 1.416 50 0 DDAARO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(N(C)C)n2)C1 ZINC000096484561 407271441 /nfs/dbraw/zinc/27/14/41/407271441.db2.gz FKSLOKWDZPHXOH-CQSZACIVSA-N 1 0 319.453 1.679 50 0 DDAARO COc1ccnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000096484305 407271791 /nfs/dbraw/zinc/27/17/91/407271791.db2.gz WLOQVEQYYPLXKA-AWEZNQCLSA-N 1 0 306.410 1.566 50 0 DDAARO CNC(=O)c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1Cl ZINC000097051377 407276944 /nfs/dbraw/zinc/27/69/44/407276944.db2.gz PBZIMCFATGHFTJ-UHFFFAOYSA-N 1 0 324.812 1.869 50 0 DDAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)C(C)(C)C)[nH+]1 ZINC000067604061 407277210 /nfs/dbraw/zinc/27/72/10/407277210.db2.gz UAQQJLKTVZEYTI-UHFFFAOYSA-N 1 0 305.426 1.959 50 0 DDAARO Cc1[nH+]c2ccc(F)cc2c(N2CCN(CC(N)=O)CC2)c1C ZINC000097144377 407282900 /nfs/dbraw/zinc/28/29/00/407282900.db2.gz GBBAVIVZGUJOPL-UHFFFAOYSA-N 1 0 316.380 1.598 50 0 DDAARO Cc1cc(C)nc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000097142882 407283129 /nfs/dbraw/zinc/28/31/29/407283129.db2.gz RXLVHVAAFHMEMG-CQSZACIVSA-N 1 0 319.453 1.703 50 0 DDAARO Cc1cccc(NC[C@H]2CCN(c3ccc4nnnn4n3)C2)[nH+]1 ZINC000097201002 407286738 /nfs/dbraw/zinc/28/67/38/407286738.db2.gz JEECLPCGOFLKDA-GFCCVEGCSA-N 1 0 310.365 1.161 50 0 DDAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NCCO)nc2)C1 ZINC000067878249 407288012 /nfs/dbraw/zinc/28/80/12/407288012.db2.gz HVGOTSRVTSTHBN-AWEZNQCLSA-N 1 0 320.437 1.194 50 0 DDAARO NC(=O)c1cc2c(cc1-c1cccc3c1O[C@@H](C[NH3+])C3)OCO2 ZINC000067895573 407288742 /nfs/dbraw/zinc/28/87/42/407288742.db2.gz UZVIDZDCQRYSLJ-SNVBAGLBSA-N 1 0 312.325 1.443 50 0 DDAARO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)NC(C)C)C2)cc1O ZINC000067975819 407293015 /nfs/dbraw/zinc/29/30/15/407293015.db2.gz ACYZPYKHQXZKJD-CQSZACIVSA-N 1 0 321.421 1.930 50 0 DDAARO Cc1ccccc1[C@@H](CNC(=O)CN1CCCCC1=O)[NH+](C)C ZINC000097475524 407298882 /nfs/dbraw/zinc/29/88/82/407298882.db2.gz IKJKNLYCXQIZAT-MRXNPFEDSA-N 1 0 317.433 1.726 50 0 DDAARO Cc1cc(=O)[nH]c2cc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000097813653 407303319 /nfs/dbraw/zinc/30/33/19/407303319.db2.gz YGOVROXPDYLVNJ-TXEJJXNPSA-N 1 0 312.373 1.520 50 0 DDAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000195577300 407468250 /nfs/dbraw/zinc/46/82/50/407468250.db2.gz PALQDZIDGOMBOK-NEPJUHHUSA-N 1 0 308.344 1.946 50 0 DDAARO CCNC(=O)CN1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000195572826 407468929 /nfs/dbraw/zinc/46/89/29/407468929.db2.gz RVIPLLDEUNBPFR-AWEZNQCLSA-N 1 0 307.413 1.683 50 0 DDAARO C[N@@H+](Cc1cc(F)ccc1-n1cccn1)C[C@H]1COCCO1 ZINC000216351626 407496370 /nfs/dbraw/zinc/49/63/70/407496370.db2.gz PUNUYMWOMMVLOJ-HNNXBMFYSA-N 1 0 305.353 1.859 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000178571626 407497511 /nfs/dbraw/zinc/49/75/11/407497511.db2.gz HTNIDQMDJLBEFI-JTQLQIEISA-N 1 0 306.316 1.571 50 0 DDAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1cn(C)nc1C ZINC000253415024 407441576 /nfs/dbraw/zinc/44/15/76/407441576.db2.gz ZKAZVJRBGAPTBQ-UHFFFAOYSA-N 1 0 301.394 1.931 50 0 DDAARO COC(=O)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)nc1 ZINC000253417451 407441963 /nfs/dbraw/zinc/44/19/63/407441963.db2.gz PVLTUTYBVRELDB-AWEZNQCLSA-N 1 0 318.373 1.643 50 0 DDAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC1=CCCC1 ZINC000170602221 407447924 /nfs/dbraw/zinc/44/79/24/407447924.db2.gz ULCYWYJJBOFOMS-CQSZACIVSA-N 1 0 309.454 1.973 50 0 DDAARO CCc1ccc([C@H](CNC(=O)C[S@](=O)CC)[NH+](C)C)cc1 ZINC000170617870 407457779 /nfs/dbraw/zinc/45/77/79/407457779.db2.gz KUZLZNKNJXIMBD-YCRPNKLZSA-N 1 0 310.463 1.737 50 0 DDAARO CC(=O)NC1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000225420403 407584049 /nfs/dbraw/zinc/58/40/49/407584049.db2.gz MGWAMTIKLSECEC-NRXISQOPSA-N 1 0 304.390 1.863 50 0 DDAARO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cn1 ZINC000225418280 407584728 /nfs/dbraw/zinc/58/47/28/407584728.db2.gz GOPMSRXCJOIHBS-NEPJUHHUSA-N 1 0 308.382 1.009 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCc1ccc(F)cc1 ZINC000220285578 407541512 /nfs/dbraw/zinc/54/15/12/407541512.db2.gz SQXKQTXPYBHRFD-BZZMCLGOSA-N 1 0 320.408 1.982 50 0 DDAARO CSCC[C@@H](O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000221373459 407548999 /nfs/dbraw/zinc/54/89/99/407548999.db2.gz CMRHSLHUXNGBKI-OAHLLOKOSA-N 1 0 308.447 1.275 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C1CC1 ZINC000229561382 407666229 /nfs/dbraw/zinc/66/62/29/407666229.db2.gz VBXLIIFXRYEFHH-VBNZEHGJSA-N 1 0 307.438 1.376 50 0 DDAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C)CC1 ZINC000229828846 407672414 /nfs/dbraw/zinc/67/24/14/407672414.db2.gz JDLIAVQVSDKOCL-MAUKXSAKSA-N 1 0 323.481 1.288 50 0 DDAARO CN(C(=O)c1ccn(-c2ccccc2Cl)n1)[C@H]1CC[NH2+]C1 ZINC000179092738 407721339 /nfs/dbraw/zinc/72/13/39/407721339.db2.gz WYWGZUQDNPWXEJ-NSHDSACASA-N 1 0 304.781 1.960 50 0 DDAARO C[C@H]1CN(C(=O)c2cnc(-c3ncccn3)s2)C[C@H](C)[NH2+]1 ZINC000153249944 407784801 /nfs/dbraw/zinc/78/48/01/407784801.db2.gz YSMWGLCFPNBTQX-UWVGGRQHSA-N 1 0 303.391 1.423 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000237385299 407816375 /nfs/dbraw/zinc/81/63/75/407816375.db2.gz JWDXOSUECCUNJF-MFKMUULPSA-N 1 0 303.362 1.359 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153567516 407853504 /nfs/dbraw/zinc/85/35/04/407853504.db2.gz NKEIQPZAUBPLDK-NXEZZACHSA-N 1 0 320.784 1.138 50 0 DDAARO C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C[C@H](C)[NH2+]1 ZINC000153596572 407858965 /nfs/dbraw/zinc/85/89/65/407858965.db2.gz HZUHSSBUOHZZDB-TXEJJXNPSA-N 1 0 317.368 1.288 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000237945182 407850518 /nfs/dbraw/zinc/85/05/18/407850518.db2.gz CPVIMABXGXXSDL-NQBHXWOUSA-N 1 0 321.808 1.689 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC(=O)NC)CC2)C1 ZINC000174195444 407920231 /nfs/dbraw/zinc/92/02/31/407920231.db2.gz RGJJVLJZYWILBF-CQSZACIVSA-N 1 0 310.442 1.028 50 0 DDAARO CN(CCC1CCOCC1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000243900923 407921952 /nfs/dbraw/zinc/92/19/52/407921952.db2.gz AXOLLPQUILQRMH-OKILXGFUSA-N 1 0 307.442 1.268 50 0 DDAARO CCCOc1ccccc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244816741 407937720 /nfs/dbraw/zinc/93/77/20/407937720.db2.gz SNPXSZQORJJJKF-HNNXBMFYSA-N 1 0 317.433 1.595 50 0 DDAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCc3nc[nH]c3C2)n1 ZINC000244874245 407940248 /nfs/dbraw/zinc/94/02/48/407940248.db2.gz WXEBGPXUVDJZNP-PHIMTYICSA-N 1 0 314.393 1.114 50 0 DDAARO Cc1nnsc1CNC(=O)CN(C)Cc1ccc(F)cc1 ZINC000244842304 407942567 /nfs/dbraw/zinc/94/25/67/407942567.db2.gz UOEGKGAZIIUGJX-UHFFFAOYSA-N 1 0 308.382 1.734 50 0 DDAARO CCCCc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000244873292 407942642 /nfs/dbraw/zinc/94/26/42/407942642.db2.gz WNKPGVVQTGKJGT-IRXDYDNUSA-N 1 0 320.433 1.785 50 0 DDAARO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262809175 407942710 /nfs/dbraw/zinc/94/27/10/407942710.db2.gz FUNLDHPXJNUWDB-ZMSDIMECSA-N 1 0 306.406 1.695 50 0 DDAARO COCC[N@@H+]1CC[C@H](C(=O)NCCc2csc(C)c2C)C1 ZINC000244899483 407944259 /nfs/dbraw/zinc/94/42/59/407944259.db2.gz ZKQCIUGFCJGBEG-AWEZNQCLSA-N 1 0 310.463 1.992 50 0 DDAARO COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000182683916 408222158 /nfs/dbraw/zinc/22/21/58/408222158.db2.gz BJCMESHFFFFEKG-OAGGEKHMSA-N 1 0 318.417 1.775 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000246882822 408361495 /nfs/dbraw/zinc/36/14/95/408361495.db2.gz IGOJZLOYKGVPSB-DOTOQJQBSA-N 1 0 319.424 1.987 50 0 DDAARO O=S(=O)(c1ccc(F)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247499983 408480926 /nfs/dbraw/zinc/48/09/26/408480926.db2.gz NKQJTFSPNGWJPL-NSHDSACASA-N 1 0 318.801 1.948 50 0 DDAARO Cc1c(Cl)cccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000162052050 408666553 /nfs/dbraw/zinc/66/65/53/408666553.db2.gz PCEXAVHPJYRQNW-UHFFFAOYSA-N 1 0 309.797 1.751 50 0 DDAARO CC(C)n1ccnc1C1CC[NH+](CCn2cc[nH]c2=O)CC1 ZINC000252483583 408796933 /nfs/dbraw/zinc/79/69/33/408796933.db2.gz FFOPHCOKUUIWMO-UHFFFAOYSA-N 1 0 303.410 1.833 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)COc1cccnc1 ZINC000249702880 408757841 /nfs/dbraw/zinc/75/78/41/408757841.db2.gz ZHDNAOXZQHZILX-JKSUJKDBSA-N 1 0 303.406 1.936 50 0 DDAARO C[C@@H](C(=O)NCc1ccco1)[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000253376447 408813672 /nfs/dbraw/zinc/81/36/72/408813672.db2.gz TXTCSAGYDHUVHM-KBPBESRZSA-N 1 0 302.378 1.645 50 0 DDAARO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000253369989 408814103 /nfs/dbraw/zinc/81/41/03/408814103.db2.gz KUTQPQRBWHXYGP-QKPAOTATSA-N 1 0 323.481 1.332 50 0 DDAARO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000261754966 163696869 /nfs/dbraw/zinc/69/68/69/163696869.db2.gz DYNYFSFKMVPMGQ-WCQYABFASA-N 1 0 307.360 1.458 50 0 DDAARO CC[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000096447218 287148064 /nfs/dbraw/zinc/14/80/64/287148064.db2.gz BRRMUZJKUYWDQS-GXTWGEPZSA-N 1 0 309.414 1.476 50 0 DDAARO Cc1ccc2[nH]c(C(=O)N3CCOC[C@@H](C[NH+](C)C)C3)nc2c1 ZINC000299785945 410627798 /nfs/dbraw/zinc/62/77/98/410627798.db2.gz VBTKLRANTAWOMM-ZDUSSCGKSA-N 1 0 316.405 1.522 50 0 DDAARO COC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000299789708 410631116 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ZINC000071825105 406847868 /nfs/dbraw/zinc/84/78/68/406847868.db2.gz ARHSFXZUYGDWRX-GFCCVEGCSA-N 1 0 307.350 1.189 50 0 DDAARO Cn1c(SCC[NH+]2CCCCC2)nnc1N1CCOCC1 ZINC000071831241 406849988 /nfs/dbraw/zinc/84/99/88/406849988.db2.gz NQQQQENWUYUHSX-UHFFFAOYSA-N 1 0 311.455 1.230 50 0 DDAARO Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000071841294 406851697 /nfs/dbraw/zinc/85/16/97/406851697.db2.gz ZYXZTDXNHAHPOF-JKSUJKDBSA-N 1 0 311.389 1.267 50 0 DDAARO COc1ccc(-c2cc(CC(=O)NCC[NH+](C)C)no2)cc1 ZINC000012866374 406854254 /nfs/dbraw/zinc/85/42/54/406854254.db2.gz PTAFGHZPMBJKJK-UHFFFAOYSA-N 1 0 303.362 1.571 50 0 DDAARO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)Cn2cc(C)cn2)c1 ZINC000071874950 406858122 /nfs/dbraw/zinc/85/81/22/406858122.db2.gz PKCASDLBIGTVPN-BBRMVZONSA-N 1 0 319.405 1.920 50 0 DDAARO Cc1cnn(CC[NH2+]C[C@H](O)c2ccc3c(c2)OCCO3)c1 ZINC000071872133 406858379 /nfs/dbraw/zinc/85/83/79/406858379.db2.gz ZVLORNPOMVBMSX-AWEZNQCLSA-N 1 0 303.362 1.286 50 0 DDAARO 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O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1O)c1cccnc1 ZINC000077426393 406990605 /nfs/dbraw/zinc/99/06/05/406990605.db2.gz ISUSXEOLCHCYNF-HZPDHXFCSA-N 1 0 303.406 1.437 50 0 DDAARO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC3)cn2)CC1 ZINC000048301381 407094800 /nfs/dbraw/zinc/09/48/00/407094800.db2.gz MULNJDLGPBKRCS-UHFFFAOYSA-N 1 0 303.410 1.043 50 0 DDAARO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(O)c1 ZINC000048314909 407094936 /nfs/dbraw/zinc/09/49/36/407094936.db2.gz LRMKFNGIUNESLT-AWEZNQCLSA-N 1 0 322.405 1.487 50 0 DDAARO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1cccc(F)c1 ZINC000046511746 407061038 /nfs/dbraw/zinc/06/10/38/407061038.db2.gz CUGOLQXEWKQPLI-UHFFFAOYSA-N 1 0 308.353 1.993 50 0 DDAARO COCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000080660832 407072789 /nfs/dbraw/zinc/07/27/89/407072789.db2.gz FCKQVWJOAVQAJE-HNNXBMFYSA-N 1 0 305.422 1.939 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC(=O)NC1 ZINC000047719809 407080780 /nfs/dbraw/zinc/08/07/80/407080780.db2.gz 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CC(=O)NCCNC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000058305712 407219936 /nfs/dbraw/zinc/21/99/36/407219936.db2.gz FQHLSUAKVNCGLI-QGZVFWFLSA-N 1 0 315.417 1.391 50 0 DDAARO CN(C)c1nccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000095988216 407220777 /nfs/dbraw/zinc/22/07/77/407220777.db2.gz USQQSZGHATTZOW-KFWWJZLASA-N 1 0 302.422 1.980 50 0 DDAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](O)C1 ZINC000095987667 407221167 /nfs/dbraw/zinc/22/11/67/407221167.db2.gz AXNJQOUMGXUGDM-HOCLYGCPSA-N 1 0 305.422 1.673 50 0 DDAARO CCn1cc(C[N@H+](C)CCc2c(C)nn(C)c2C)ccc1=O ZINC000065285968 407242334 /nfs/dbraw/zinc/24/23/34/407242334.db2.gz WTTDGTYOBPXQIB-UHFFFAOYSA-N 1 0 302.422 1.893 50 0 DDAARO COc1ccc(N2C(=O)C[C@H](SC3=[NH+]CCN3)C2=O)cc1 ZINC000102407614 407322791 /nfs/dbraw/zinc/32/27/91/407322791.db2.gz NRYVMRGNZYPPSX-NSHDSACASA-N 1 0 305.359 1.020 50 0 DDAARO CCSCC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096440129 407266519 /nfs/dbraw/zinc/26/65/19/407266519.db2.gz 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CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000195550608 407465819 /nfs/dbraw/zinc/46/58/19/407465819.db2.gz FSMLEBDOWIJMLP-XQQFMLRXSA-N 1 0 304.456 1.061 50 0 DDAARO CC(C)[C@H]([NH3+])C(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000170678185 407474269 /nfs/dbraw/zinc/47/42/69/407474269.db2.gz KLRKWCHXHOIXKQ-KRWDZBQOSA-N 1 0 318.465 1.250 50 0 DDAARO CCNC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000215341091 407482740 /nfs/dbraw/zinc/48/27/40/407482740.db2.gz SOGKASBOZJXHDY-NSHDSACASA-N 1 0 310.369 1.801 50 0 DDAARO Cn1cc(C[N@@H+]2CCOCCNC(=O)CC2)c2ccccc21 ZINC000257188783 407484180 /nfs/dbraw/zinc/48/41/80/407484180.db2.gz NDBCFNQDPGLXJX-UHFFFAOYSA-N 1 0 301.390 1.517 50 0 DDAARO COCc1ncc(C[N@H+](C)CCCn2nc(C)cc2C)cn1 ZINC000215678434 407486951 /nfs/dbraw/zinc/48/69/51/407486951.db2.gz JYYCZJHQYRZXNT-UHFFFAOYSA-N 1 0 303.410 1.958 50 0 DDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC000215922570 407489707 /nfs/dbraw/zinc/48/97/07/407489707.db2.gz MMFOQCHBVNPFRP-ZDUSSCGKSA-N 1 0 311.451 1.848 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2cnc(SC)nc2)C1 ZINC000222426739 407556796 /nfs/dbraw/zinc/55/67/96/407556796.db2.gz HIOLOPCEARWDME-LBPRGKRZSA-N 1 0 324.450 1.239 50 0 DDAARO O=S1(=O)C[C@H]([N@@H+]2CCCC3(C2)CCCCCC3)[C@H](O)C1 ZINC000225324500 407581262 /nfs/dbraw/zinc/58/12/62/407581262.db2.gz QDIYIPLGOZMUCA-UONOGXRCSA-N 1 0 301.452 1.581 50 0 DDAARO Cc1cnccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000225440253 407584851 /nfs/dbraw/zinc/58/48/51/407584851.db2.gz QLUDICFFKKYDDF-CQSZACIVSA-N 1 0 320.437 1.377 50 0 DDAARO CSc1ncc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000220051400 407537795 /nfs/dbraw/zinc/53/77/95/407537795.db2.gz JPGNETWDQKBRTO-UHFFFAOYSA-N 1 0 322.434 1.135 50 0 DDAARO Cn1cc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)cn1 ZINC000186213193 407605814 /nfs/dbraw/zinc/60/58/14/407605814.db2.gz ARMZHWOCWBZFHB-OAHLLOKOSA-N 1 0 320.437 1.664 50 0 DDAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H](C)C1 ZINC000229307732 407657669 /nfs/dbraw/zinc/65/76/69/407657669.db2.gz JPSYHRJDANVJGC-DUVNUKRYSA-N 1 0 303.406 1.450 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCC1 ZINC000229561241 407665746 /nfs/dbraw/zinc/66/57/46/407665746.db2.gz SCMZOMMVVYTQSI-NUEKZKHPSA-N 1 0 307.438 1.473 50 0 DDAARO O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229786450 407671683 /nfs/dbraw/zinc/67/16/83/407671683.db2.gz CWVFVKJAXKYBAY-KBPBESRZSA-N 1 0 317.389 1.841 50 0 DDAARO COc1ccc(F)cc1[C@@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000261959688 407691429 /nfs/dbraw/zinc/69/14/29/407691429.db2.gz ONQRUDKNDGTBCQ-LLVKDONJSA-N 1 0 310.369 1.780 50 0 DDAARO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000179181766 407745956 /nfs/dbraw/zinc/74/59/56/407745956.db2.gz SMKDEMQJJPLCJU-MRVPVSSYSA-N 1 0 323.194 1.759 50 0 DDAARO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000134050852 407885596 /nfs/dbraw/zinc/88/55/96/407885596.db2.gz LNBNGVXITZDXHJ-LSDHHAIUSA-N 1 0 322.453 1.123 50 0 DDAARO CN(Cc1ncc[nH]1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000243892331 407921300 /nfs/dbraw/zinc/92/13/00/407921300.db2.gz AGDVOOOCJJSCPR-XYPYZODXSA-N 1 0 301.398 1.173 50 0 DDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(c2ccncn2)CC1 ZINC000244574912 407926336 /nfs/dbraw/zinc/92/63/36/407926336.db2.gz CTIKQHGYILOHKZ-INIZCTEOSA-N 1 0 310.401 1.753 50 0 DDAARO CC(=O)c1ccc(N2CCN(C[C@@H]3COCCO3)CC2)cc1 ZINC000244716069 407930879 /nfs/dbraw/zinc/93/08/79/407930879.db2.gz LHSYUQYOQMPBLJ-QGZVFWFLSA-N 1 0 304.390 1.427 50 0 DDAARO CNC(=O)c1cccc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)c1 ZINC000244773681 407938845 /nfs/dbraw/zinc/93/88/45/407938845.db2.gz PELNRZLACCOAFO-ZBFHGGJFSA-N 1 0 315.417 1.537 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c3c(c2)OCCO3)C1 ZINC000151009396 408240408 /nfs/dbraw/zinc/24/04/08/408240408.db2.gz OGTYBRAOOGSBDX-LBPRGKRZSA-N 1 0 306.362 1.290 50 0 DDAARO CO[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000190358450 408229232 /nfs/dbraw/zinc/22/92/32/408229232.db2.gz SNWNKDYJFXXZMJ-ZDUSSCGKSA-N 1 0 306.410 1.380 50 0 DDAARO Cc1nc(-c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)n[nH]1 ZINC000156875080 408279307 /nfs/dbraw/zinc/27/93/07/408279307.db2.gz KSMBJFYAWPWARE-NHYWBVRUSA-N 1 0 313.405 1.980 50 0 DDAARO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000183164575 408342500 /nfs/dbraw/zinc/34/25/00/408342500.db2.gz JHPWOUMRRYDWSV-LLVKDONJSA-N 1 0 312.391 1.083 50 0 DDAARO Cc1ccc2c(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cc(=O)oc2c1C ZINC000190869125 408333857 /nfs/dbraw/zinc/33/38/57/408333857.db2.gz VDMMSTAEJDBDIY-STQMWFEESA-N 1 0 319.401 1.973 50 0 DDAARO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000162032169 408662724 /nfs/dbraw/zinc/66/27/24/408662724.db2.gz ZACHBHBREDDOIE-UHFFFAOYSA-N 1 0 313.760 1.582 50 0 DDAARO C[NH+](C)C[C@@H](NC(=O)CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000252490263 408798413 /nfs/dbraw/zinc/79/84/13/408798413.db2.gz KNHWPHIDVNKWGA-CQSZACIVSA-N 1 0 323.824 1.681 50 0 DDAARO CC[N@@H+]1CC[C@H](CNCc2ccc(N(C)CCOC)nc2)C1 ZINC000252492190 408798975 /nfs/dbraw/zinc/79/89/75/408798975.db2.gz MFJVLGJGEDSQRZ-MRXNPFEDSA-N 1 0 306.454 1.596 50 0 DDAARO C[NH+]1CCC(Oc2ccc(CNC(=O)NCCF)cc2)CC1 ZINC000252510318 408801498 /nfs/dbraw/zinc/80/14/98/408801498.db2.gz ZHGOJLWDOQNKCX-UHFFFAOYSA-N 1 0 309.385 1.928 50 0 DDAARO COC1(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)CCC1 ZINC000252506615 408802749 /nfs/dbraw/zinc/80/27/49/408802749.db2.gz WBQVDAUWFGCYPX-UHFFFAOYSA-N 1 0 311.470 1.335 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCNc1ncccn1 ZINC000249694337 408757441 /nfs/dbraw/zinc/75/74/41/408757441.db2.gz PBSNQMAGULYVSI-HUUCEWRRSA-N 1 0 317.437 1.754 50 0 DDAARO C[C@](O)(C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccco1 ZINC000167201964 408817024 /nfs/dbraw/zinc/81/70/24/408817024.db2.gz AWUDDQJLJGYEAD-KRWDZBQOSA-N 1 0 318.373 1.975 50 0 DDAARO CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000299738926 410604306 /nfs/dbraw/zinc/60/43/06/410604306.db2.gz IPKAHVJFNSHTJR-COPLHBTASA-N 1 0 307.419 1.075 50 0 DDAARO COc1cc(CCNC(=O)[C@@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000299780991 410624092 /nfs/dbraw/zinc/62/40/92/410624092.db2.gz CVBCSUCMGLIUHA-CQSZACIVSA-N 1 0 306.406 1.752 50 0 DDAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N[C@@H]1CCCCNC1=O ZINC000048009342 418463409 /nfs/dbraw/zinc/46/34/09/418463409.db2.gz FVNLALIPWIHANS-SOUVJXGZSA-N 1 0 307.438 1.283 50 0 DDAARO CN(C)c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cn1 ZINC000048711455 418475041 /nfs/dbraw/zinc/47/50/41/418475041.db2.gz PYSIAFYETDOQSG-UHFFFAOYSA-N 1 0 312.421 1.828 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000102684550 418495593 /nfs/dbraw/zinc/49/55/93/418495593.db2.gz DYHJWGGTSIULJN-KKUMJFAQSA-N 1 0 306.406 1.030 50 0 DDAARO CC1CCC(O)(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000120587558 418503837 /nfs/dbraw/zinc/50/38/37/418503837.db2.gz MUFAAMAVMQJLDA-HNFVBEJKSA-N 1 0 316.467 1.084 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NCCCC[NH+]3CCCC3)nc2n1 ZINC000048325711 418469105 /nfs/dbraw/zinc/46/91/05/418469105.db2.gz GWQFNUAJSPMQDZ-UHFFFAOYSA-N 1 0 316.409 1.347 50 0 DDAARO CCOCCN1CC[N@H+](CCC(=O)NC2CCCC2)C[C@H]1C ZINC000241774167 222211414 /nfs/dbraw/zinc/21/14/14/222211414.db2.gz RNQGUDIBNPDGNB-OAHLLOKOSA-N 1 0 311.470 1.478 50 0 DDAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H]1CCN(C(C)C)C1=O)CC2 ZINC000241383483 222212422 /nfs/dbraw/zinc/21/24/22/222212422.db2.gz MVRGXWBOPFSAPL-RRFJBIMHSA-N 1 0 310.438 1.248 50 0 DDAARO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CCCCCC1 ZINC000408514123 418806195 /nfs/dbraw/zinc/80/61/95/418806195.db2.gz KQWBNOJVGGVJEK-KRWDZBQOSA-N 1 0 321.465 1.400 50 0 DDAARO COc1ccc2c(c1)C=C(CN1C[C@@H]3[NH2+]CCO[C@H]3C1)CO2 ZINC000426408895 419459538 /nfs/dbraw/zinc/45/95/38/419459538.db2.gz FTYDBFCZTWAIJQ-RDJZCZTQSA-N 1 0 302.374 1.144 50 0 DDAARO CCOc1cccc(OCCSc2nnc(C[NH3+])n2C)c1 ZINC000426405105 419460694 /nfs/dbraw/zinc/46/06/94/419460694.db2.gz HPPABHFHOXURJG-UHFFFAOYSA-N 1 0 308.407 1.844 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000426534424 419501681 /nfs/dbraw/zinc/50/16/81/419501681.db2.gz HKXHOEWXFIEHOP-GFCCVEGCSA-N 1 0 319.331 1.562 50 0 DDAARO CN(C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C)C1CCOCC1 ZINC000426563427 419505462 /nfs/dbraw/zinc/50/54/62/419505462.db2.gz SVUIAOHNCTYSLX-QGZVFWFLSA-N 1 0 317.433 1.864 50 0 DDAARO C/C=C\c1ccc(OCC(=O)N2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000429064878 419966358 /nfs/dbraw/zinc/96/63/58/419966358.db2.gz MRUGKNWBOKWARB-VQTKUKTRSA-N 1 0 304.390 1.914 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1c[nH]cc(Br)c1=O ZINC000423759473 420165914 /nfs/dbraw/zinc/16/59/14/420165914.db2.gz HVSZEPBLTQHSCZ-IMTBSYHQSA-N 1 0 302.172 1.449 50 0 DDAARO CCO/C=C\[C@@](O)(C[NH2+]Cc1cncn1CC)C(F)(F)F ZINC000606445890 422460149 /nfs/dbraw/zinc/46/01/49/422460149.db2.gz HUFTXRBWISNTND-FOQNGQEVSA-N 1 0 307.316 1.836 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@@H]1CO ZINC000091664941 273798805 /nfs/dbraw/zinc/79/88/05/273798805.db2.gz NTPXTDOVBMLZFH-ZIAGYGMSSA-N 1 0 310.825 1.511 50 0 DDAARO COC(=O)c1sc2nc(C)nc(N3CC[NH+](C)CC3)c2c1C ZINC000007778551 274010857 /nfs/dbraw/zinc/01/08/57/274010857.db2.gz RBMTUEJPWUKQCE-UHFFFAOYSA-N 1 0 320.418 1.847 50 0 DDAARO CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000095519980 276452761 /nfs/dbraw/zinc/45/27/61/276452761.db2.gz XCIUBCDGSQTVCH-DLBZAZTESA-N 1 0 320.433 1.978 50 0 DDAARO COc1nc2c(cc1C(=O)N[C@H]1Cc3ccccc3[C@@H]1[NH3+])CCC2 ZINC000091973737 278086742 /nfs/dbraw/zinc/08/67/42/278086742.db2.gz NIYGJMZZEODGJG-IRXDYDNUSA-N 1 0 323.396 1.933 50 0 DDAARO C[C@@](O)(C[NH+]1CCC(N2CCCNC2=O)CC1)C(F)(F)F ZINC000253396975 278116406 /nfs/dbraw/zinc/11/64/06/278116406.db2.gz SDVVPIZOHLHIAL-GFCCVEGCSA-N 1 0 309.332 1.179 50 0 DDAARO CC(C)(C)[C@@H]([NH2+][C@H]1CCCOC1)c1nc(-c2nc[nH]n2)no1 ZINC000096494925 278495703 /nfs/dbraw/zinc/49/57/03/278495703.db2.gz HVFATUCFBRULQO-UWVGGRQHSA-N 1 0 306.370 1.711 50 0 DDAARO Cn1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1=O ZINC000091644364 279359007 /nfs/dbraw/zinc/35/90/07/279359007.db2.gz HJBAAFWVLGWMPB-MRXNPFEDSA-N 1 0 317.433 1.866 50 0 DDAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccn1 ZINC000096436177 279902885 /nfs/dbraw/zinc/90/28/85/279902885.db2.gz ASWVQUGSFIZZRK-MRXNPFEDSA-N 1 0 305.422 1.833 50 0 DDAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 ZINC000097164740 290128038 /nfs/dbraw/zinc/12/80/38/290128038.db2.gz CBDNRYQIAJAAHD-UONOGXRCSA-N 1 0 319.405 1.928 50 0 DDAARO NC(=O)c1ccc(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 ZINC000106180110 295179821 /nfs/dbraw/zinc/17/98/21/295179821.db2.gz PSELJUXINLIIPE-ILXRZTDVSA-N 1 0 301.390 1.404 50 0 DDAARO C[C@@H](CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2)[NH+](C)C ZINC000534634263 334308647 /nfs/dbraw/zinc/30/86/47/334308647.db2.gz DJBYUJPWYNPHOH-LBPRGKRZSA-N 1 0 307.442 1.770 50 0 DDAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ncccc2C)C2CC2)CC1 ZINC000534636316 334309306 /nfs/dbraw/zinc/30/93/06/334309306.db2.gz RCZRSGODWCYOJZ-GOSISDBHSA-N 1 0 316.449 1.595 50 0 DDAARO CC[N@H+](C)C1(CNC(=O)c2cn(C)c(C)cc2=O)CCCC1 ZINC000534636941 334309543 /nfs/dbraw/zinc/30/95/43/334309543.db2.gz ONMJPORFAPUZSD-UHFFFAOYSA-N 1 0 305.422 1.688 50 0 DDAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000534648669 334316745 /nfs/dbraw/zinc/31/67/45/334316745.db2.gz RXZMWWVEEQPTIV-ZDUSSCGKSA-N 1 0 316.365 1.187 50 0 DDAARO COc1ccc(CCNC(=O)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000534670049 334320021 /nfs/dbraw/zinc/32/00/21/334320021.db2.gz HUUSZJONIUPYLM-AWEZNQCLSA-N 1 0 306.406 1.752 50 0 DDAARO Cc1cc(C)n(-c2ccc(N3CCC[N@@H+]4CCC[C@@H]4C3)nn2)n1 ZINC000077939347 483965867 /nfs/dbraw/zinc/96/58/67/483965867.db2.gz QWUYDJFHSUOZJH-OAHLLOKOSA-N 1 0 312.421 1.954 50 0 DDAARO Cc1cnc(CN(Cc2cnc(C)cn2)[C@H]2CC[N@@H+](C)C2)o1 ZINC000084258412 483993918 /nfs/dbraw/zinc/99/39/18/483993918.db2.gz CLPRXECNZYDGCQ-HNNXBMFYSA-N 1 0 301.394 1.788 50 0 DDAARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000670441171 484831967 /nfs/dbraw/zinc/83/19/67/484831967.db2.gz MBUFJXRSCUKBQZ-OAHLLOKOSA-N 1 0 307.825 1.802 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc2[nH]ccc2c1 ZINC000670467833 484846812 /nfs/dbraw/zinc/84/68/12/484846812.db2.gz HFAWQGNUSKBOQD-OAHLLOKOSA-N 1 0 301.390 1.745 50 0 DDAARO CC[NH+](CC)CCNC(=O)N(C)Cc1ccc2nonc2c1 ZINC000426728325 528129126 /nfs/dbraw/zinc/12/91/26/528129126.db2.gz UDJPELSSAJHVOT-UHFFFAOYSA-N 1 0 305.382 1.706 50 0 DDAARO C[C@H](NC(=O)CN(C)C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000215722184 545650667 /nfs/dbraw/zinc/65/06/67/545650667.db2.gz YUIBSPAXAZIAIC-NSHDSACASA-N 1 0 311.376 1.826 50 0 DDAARO Cc1nccn1[C@@H](C)C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000020858681 696071436 /nfs/dbraw/zinc/07/14/36/696071436.db2.gz QNXAZNPJLXCCRU-AWEZNQCLSA-N 1 0 314.437 1.982 50 0 DDAARO COc1ccc2c(C)nc(N3C[C@H](O)[C@@H]([NH+](C)C)C3)nc2c1 ZINC000067771038 696364181 /nfs/dbraw/zinc/36/41/81/696364181.db2.gz FZQMDMVGVPMLMZ-GJZGRUSLSA-N 1 0 302.378 1.058 50 0 DDAARO CC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071404069 696392316 /nfs/dbraw/zinc/39/23/16/696392316.db2.gz XCDBKPMHVYBZCU-HNNXBMFYSA-N 1 0 318.421 1.765 50 0 DDAARO Cc1cnn([C@H](C)C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)c1 ZINC000072168148 696393514 /nfs/dbraw/zinc/39/35/14/696393514.db2.gz CHBGYXBJVVOEEI-CQSZACIVSA-N 1 0 320.437 1.200 50 0 DDAARO C[NH+](C)CC(C)(C)CNC=C1c2ccccc2C(=O)NC1=O ZINC000104934135 696621508 /nfs/dbraw/zinc/62/15/08/696621508.db2.gz VMHNPMPEHZPBEP-ZROIWOOFSA-N 1 0 301.390 1.475 50 0 DDAARO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1ccncc1)CC2 ZINC000169782503 697345426 /nfs/dbraw/zinc/34/54/26/697345426.db2.gz TZPYTZLNGLUJRQ-HNNXBMFYSA-N 1 0 303.406 1.512 50 0 DDAARO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(S(C)(=O)=O)CC2 ZINC000169789897 697346464 /nfs/dbraw/zinc/34/64/64/697346464.db2.gz HJJXTWRKARTJDV-CYBMUJFWSA-N 1 0 316.467 1.159 50 0 DDAARO CNC(=O)CN1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885920957 708662924 /nfs/dbraw/zinc/66/29/24/708662924.db2.gz NBSFXLFXUPGDCM-INIZCTEOSA-N 1 0 323.481 1.668 50 0 DDAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1CN(C)CCN1C ZINC000888102161 709214094 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304241293 /nfs/dbraw/zinc/24/12/93/304241293.db2.gz HQKFWISPOCHXGO-INIZCTEOSA-N 1 0 318.417 1.569 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000158056091 197239829 /nfs/dbraw/zinc/23/98/29/197239829.db2.gz MQJFSZRFVOKBHF-JOYOIKCWSA-N 1 0 300.305 1.535 50 0 DDAARO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)n1-c1nccs1 ZINC000155168333 197029151 /nfs/dbraw/zinc/02/91/51/197029151.db2.gz HNBKHMDAKXUBAH-SNVBAGLBSA-N 1 0 304.419 1.985 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262778795 257238116 /nfs/dbraw/zinc/23/81/16/257238116.db2.gz XDLXVNCQWAKWKA-DCAQKATOSA-N 1 0 321.343 1.126 50 0 DDAARO COc1cc(CCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000237316268 257239410 /nfs/dbraw/zinc/23/94/10/257239410.db2.gz RLYWTOVECKCZRT-GXTWGEPZSA-N 1 0 306.406 1.975 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000237174463 257239564 /nfs/dbraw/zinc/23/95/64/257239564.db2.gz OIHLAOQJOBLWNP-ITPJJHHZSA-N 1 0 301.390 1.398 50 0 DDAARO CCOC(=O)C1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000073880629 257270955 /nfs/dbraw/zinc/27/09/55/257270955.db2.gz GSWJYCYTRNIAPN-UHFFFAOYSA-N 1 0 308.422 1.807 50 0 DDAARO CCc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)n2ncnc2n1 ZINC000071811127 184849050 /nfs/dbraw/zinc/84/90/50/184849050.db2.gz UJXSZPFYXXRBFE-AWEZNQCLSA-N 1 0 300.410 1.751 50 0 DDAARO CCN(C(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1)C1CCCCC1 ZINC000069652676 184831667 /nfs/dbraw/zinc/83/16/67/184831667.db2.gz QIPQFBBPQLGEON-ZBFHGGJFSA-N 1 0 311.470 1.476 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 ZINC000299740385 134741742 /nfs/dbraw/zinc/74/17/42/134741742.db2.gz ZEEJSJXCBUHPNN-ZDUSSCGKSA-N 1 0 301.390 1.624 50 0 DDAARO Cc1noc(C)c1CCCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223722654 407571242 /nfs/dbraw/zinc/57/12/42/407571242.db2.gz KPRMPWHKXVUUMG-UHFFFAOYSA-N 1 0 316.409 1.913 50 0 DDAARO CN([C@@H]1CC(=O)N(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000000077141 406618548 /nfs/dbraw/zinc/61/85/48/406618548.db2.gz IDGIUMMSDWTVDX-OAHLLOKOSA-N 1 0 301.390 1.345 50 0 DDAARO CC[NH+](CC)CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000190864 406630012 /nfs/dbraw/zinc/63/00/12/406630012.db2.gz DMVTXWXNKZYLHD-UHFFFAOYSA-N 1 0 316.405 1.765 50 0 DDAARO COc1cc2[nH]c3c(ncn(CC[NH+](C)C)c3=O)c2cc1OC ZINC000000487672 406651695 /nfs/dbraw/zinc/65/16/95/406651695.db2.gz RSSIOHXLVHCLQX-UHFFFAOYSA-N 1 0 316.361 1.457 50 0 biogenic DDAARO C[NH+](C)CCNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000828931 406658859 /nfs/dbraw/zinc/65/88/59/406658859.db2.gz JOVLCNGBCDYTQP-UHFFFAOYSA-N 1 0 319.386 1.245 50 0 DDAARO CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000069241997 406692774 /nfs/dbraw/zinc/69/27/74/406692774.db2.gz RHTKXKDSXFFGPE-OAHLLOKOSA-N 1 0 324.469 1.415 50 0 DDAARO CC[C@@H]([NH2+][C@@H](C)Cn1cc(C)cn1)C(=O)Nc1cc(C)on1 ZINC000069561426 406734541 /nfs/dbraw/zinc/73/45/41/406734541.db2.gz MWXOCLJFCGKARU-WCQYABFASA-N 1 0 305.382 1.883 50 0 DDAARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069619257 406745360 /nfs/dbraw/zinc/74/53/60/406745360.db2.gz ZGRMAIAVINNYCY-CYBMUJFWSA-N 1 0 324.812 1.222 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000069455728 406715578 /nfs/dbraw/zinc/71/55/78/406715578.db2.gz LYTNCMCAMBFLGG-KEYYUXOJSA-N 1 0 316.401 1.912 50 0 DDAARO Cc1nc(CN2CCC[C@H]([NH2+]Cc3nc(C)ccc3O)C2)no1 ZINC000069463021 406717720 /nfs/dbraw/zinc/71/77/20/406717720.db2.gz LYTZYTTUOJELLG-ZDUSSCGKSA-N 1 0 317.393 1.541 50 0 DDAARO Fc1cc(C[NH2+][C@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000069490855 406722064 /nfs/dbraw/zinc/72/20/64/406722064.db2.gz GBSWUCDZNUBUFP-LBPRGKRZSA-N 1 0 313.340 1.103 50 0 DDAARO COCC[N@@H+]1CCN(CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000070008328 406801775 /nfs/dbraw/zinc/80/17/75/406801775.db2.gz XROXKFAEOUOLIE-HNNXBMFYSA-N 1 0 308.422 1.727 50 0 DDAARO CN(CC1CC[NH+](CCO)CC1)c1ncnc2ccsc21 ZINC000069952043 406796295 /nfs/dbraw/zinc/79/62/95/406796295.db2.gz BMJPIVGGGCIMCK-UHFFFAOYSA-N 1 0 306.435 1.832 50 0 DDAARO CC(C)OC[C@H](O)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000071279197 406836305 /nfs/dbraw/zinc/83/63/05/406836305.db2.gz WOSHATPSRLJFHQ-QGZVFWFLSA-N 1 0 307.438 1.028 50 0 DDAARO O=C1CCCN1C[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000071841232 406851499 /nfs/dbraw/zinc/85/14/99/406851499.db2.gz XCEKOUXOICIETC-OAHLLOKOSA-N 1 0 314.389 1.150 50 0 DDAARO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccc(O)c1 ZINC000071850027 406853015 /nfs/dbraw/zinc/85/30/15/406853015.db2.gz YDEOWMPGIDHHGH-UHFFFAOYSA-N 1 0 320.414 1.601 50 0 DDAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000071878658 406859387 /nfs/dbraw/zinc/85/93/87/406859387.db2.gz XKVRYLUWNIPRKB-CVEARBPZSA-N 1 0 303.410 1.222 50 0 DDAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234947 406874339 /nfs/dbraw/zinc/87/43/39/406874339.db2.gz CIIWGBCSNFYUPW-LSDHHAIUSA-N 1 0 305.426 1.706 50 0 DDAARO CCCc1nc2c(cnn2C)c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000072167430 406874861 /nfs/dbraw/zinc/87/48/61/406874861.db2.gz 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310.397 1.697 50 0 DDAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)CC1 ZINC000040541117 407004051 /nfs/dbraw/zinc/00/40/51/407004051.db2.gz ILCNOPGGUCNYTD-HNNXBMFYSA-N 1 0 318.421 1.019 50 0 DDAARO Nc1nc(Cl)cc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000040555535 407004282 /nfs/dbraw/zinc/00/42/82/407004282.db2.gz XKBWNKYXTBTOBQ-UHFFFAOYSA-N 1 0 311.817 1.261 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC000084714574 407093546 /nfs/dbraw/zinc/09/35/46/407093546.db2.gz AHKBBOFJBDCWKX-MFKMUULPSA-N 1 0 301.387 1.228 50 0 DDAARO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccncc2F)C[C@H](C)O1 ZINC000085456459 407101734 /nfs/dbraw/zinc/10/17/34/407101734.db2.gz FNVFNMSQNQVNDJ-BETUJISGSA-N 1 0 309.385 1.840 50 0 DDAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000047253430 407071828 /nfs/dbraw/zinc/07/18/28/407071828.db2.gz WJYRWUFJXQGEEP-JHJVBQTASA-N 1 0 301.398 1.361 50 0 DDAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CCCc3cnn(C)c3)C2)o1 ZINC000084258863 407086150 /nfs/dbraw/zinc/08/61/50/407086150.db2.gz RDRDNUXNFDPUAQ-MRXNPFEDSA-N 1 0 317.437 1.855 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[NH+](CCC(C)(C)C)CC1 ZINC000054838779 407190257 /nfs/dbraw/zinc/19/02/57/407190257.db2.gz CJKCEKNPQWUXGJ-UHFFFAOYSA-N 1 0 302.426 1.922 50 0 DDAARO CN1CCO[C@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000089385666 407132729 /nfs/dbraw/zinc/13/27/29/407132729.db2.gz LKIUWXFHIVIGMC-GJZGRUSLSA-N 1 0 307.369 1.169 50 0 DDAARO Cc1ccc(C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C2CC2)o1 ZINC000051967643 407146289 /nfs/dbraw/zinc/14/62/89/407146289.db2.gz MFSJTTSBHVAVBE-UHFFFAOYSA-N 1 0 305.378 1.883 50 0 DDAARO C[NH+](C)C(C)(C)CNC(=O)c1cccc(N2CCOC2=O)c1 ZINC000089761791 407147033 /nfs/dbraw/zinc/14/70/33/407147033.db2.gz PYIFGPDEJZZSCE-UHFFFAOYSA-N 1 0 305.378 1.713 50 0 DDAARO O=C(c1cccc2[nH]ncc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000089774382 407148428 /nfs/dbraw/zinc/14/84/28/407148428.db2.gz BHYAZPHUFOWNIK-HZPDHXFCSA-N 1 0 314.389 1.234 50 0 DDAARO Cc1cc([C@H]2CCC[N@@H+]2CCCN2C(=O)NC(C)(C)C2=O)on1 ZINC000052822065 407157913 /nfs/dbraw/zinc/15/79/13/407157913.db2.gz LAWMYXVENWNYSW-GFCCVEGCSA-N 1 0 320.393 1.840 50 0 DDAARO COCc1ccc(CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089939064 407160861 /nfs/dbraw/zinc/16/08/61/407160861.db2.gz WSEJFKFOUJNEHO-AWEZNQCLSA-N 1 0 305.422 1.085 50 0 DDAARO CC[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000054534475 407186232 /nfs/dbraw/zinc/18/62/32/407186232.db2.gz FWHJJPGYIZQQJI-KRWDZBQOSA-N 1 0 303.450 1.934 50 0 DDAARO C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N1CC[NH+](C)CC1 ZINC000096403437 407259890 /nfs/dbraw/zinc/25/98/90/407259890.db2.gz JNBXILVBKVEPAS-NSHDSACASA-N 1 0 313.804 1.845 50 0 DDAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000055274991 407198969 /nfs/dbraw/zinc/19/89/69/407198969.db2.gz RNCHITHCJVOQGL-HNNXBMFYSA-N 1 0 315.417 1.913 50 0 DDAARO CCC(=O)c1ccc(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000055370846 407201636 /nfs/dbraw/zinc/20/16/36/407201636.db2.gz 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/nfs/dbraw/zinc/22/03/31/407220331.db2.gz SUKKOCZIDZNJMO-UHFFFAOYSA-N 1 0 301.390 1.849 50 0 DDAARO NS(=O)(=O)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)s1 ZINC000096140296 407240491 /nfs/dbraw/zinc/24/04/91/407240491.db2.gz FVBKFQVUSIHHPY-UHFFFAOYSA-N 1 0 323.443 1.472 50 0 DDAARO Cc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+](C)C)CC(=O)N2C)cc1 ZINC000096181328 407243183 /nfs/dbraw/zinc/24/31/83/407243183.db2.gz JVFSNQRSHCKSIF-RDJZCZTQSA-N 1 0 317.433 1.582 50 0 DDAARO C[NH+]1CCC(n2nc(CC3CC3)nc2CN2CCCC2=O)CC1 ZINC000096179534 407243780 /nfs/dbraw/zinc/24/37/80/407243780.db2.gz LFEHLXJKDXIPLY-UHFFFAOYSA-N 1 0 317.437 1.620 50 0 DDAARO O=C1C[C@@H]([NH2+]Cc2cccc3c[nH]nc32)CN1CC(F)(F)F ZINC000096494364 407272253 /nfs/dbraw/zinc/27/22/53/407272253.db2.gz QTIHHQXBLPVWNO-LLVKDONJSA-N 1 0 312.295 1.816 50 0 DDAARO Cc1cc(C(=O)CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)[nH]1 ZINC000067400161 407272955 /nfs/dbraw/zinc/27/29/55/407272955.db2.gz LCTSBWLZMRHORD-AWEZNQCLSA-N 1 0 319.449 1.999 50 0 DDAARO C[NH2+]CCN(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1 ZINC000067472714 407274674 /nfs/dbraw/zinc/27/46/74/407274674.db2.gz RSCWPMYDYJZWSH-UHFFFAOYSA-N 1 0 316.405 1.598 50 0 DDAARO C[C@H](CCc1cccc(F)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000097084247 407278731 /nfs/dbraw/zinc/27/87/31/407278731.db2.gz CGYAMSWXELSSML-CQSZACIVSA-N 1 0 308.397 1.937 50 0 DDAARO CNC(=O)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000097123820 407282494 /nfs/dbraw/zinc/28/24/94/407282494.db2.gz VNMMDSUTQBPBHV-UHFFFAOYSA-N 1 0 300.406 1.692 50 0 DDAARO O=S(=O)(NCC[C@@H]1CCC[N@H+](Cc2ccccn2)C1)C1CC1 ZINC000067755135 407283547 /nfs/dbraw/zinc/28/35/47/407283547.db2.gz SCYGKKYPDCRGKR-AWEZNQCLSA-N 1 0 323.462 1.766 50 0 DDAARO CC(=O)c1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(=O)[nH]c1C ZINC000067894318 407288813 /nfs/dbraw/zinc/28/88/13/407288813.db2.gz PNOYYQKBPDYVCF-ZDUSSCGKSA-N 1 0 319.405 1.348 50 0 DDAARO C[N@@H+]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@@H](O)C1 ZINC000097360090 407292039 /nfs/dbraw/zinc/29/20/39/407292039.db2.gz 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CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000298727422 410369875 /nfs/dbraw/zinc/36/98/75/410369875.db2.gz MCCMCIUUYIVQAN-CYBMUJFWSA-N 1 0 304.394 1.043 50 0 DDAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1cn[nH]n1 ZINC000299755217 410607886 /nfs/dbraw/zinc/60/78/86/410607886.db2.gz BMBIMZZXAZZPPL-UHFFFAOYSA-N 1 0 313.405 1.489 50 0 DDAARO COc1ccc(OCCC[NH3+])c(C(=O)NC[C@@H]2CCCOC2)c1 ZINC000299764985 410611196 /nfs/dbraw/zinc/61/11/96/410611196.db2.gz XEIRIWLTZXWROF-ZDUSSCGKSA-N 1 0 322.405 1.579 50 0 DDAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cn(CCO)nc3C)[C@H]2C1 ZINC000299796763 410635065 /nfs/dbraw/zinc/63/50/65/410635065.db2.gz NTRWOMWJMWOSAR-YESZJQIVSA-N 1 0 323.437 1.342 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000132766295 196281894 /nfs/dbraw/zinc/28/18/94/196281894.db2.gz NMIUVCGGCOWXDW-AWEZNQCLSA-N 1 0 324.446 1.369 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1 ZINC000133752960 196334116 /nfs/dbraw/zinc/33/41/16/196334116.db2.gz 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301.390 1.250 50 0 DDAARO COc1cc(C(=O)NCC[C@H]2CCOC2)ccc1OCC[NH3+] ZINC000426488030 419487888 /nfs/dbraw/zinc/48/78/88/419487888.db2.gz OKBVFNXMSXBVFS-LBPRGKRZSA-N 1 0 308.378 1.189 50 0 DDAARO CC[C@@H](O)CSc1nnc(CC[NH3+])n1-c1ccc(OC)cc1 ZINC000426395179 419457890 /nfs/dbraw/zinc/45/78/90/419457890.db2.gz NHGVRLQZRGBPKY-GFCCVEGCSA-N 1 0 322.434 1.640 50 0 DDAARO COCC1(N(C)C(=O)c2ccc(OC)cc2OCC[NH3+])CC1 ZINC000426427875 419467380 /nfs/dbraw/zinc/46/73/80/419467380.db2.gz BXKVBWVYMINJNA-UHFFFAOYSA-N 1 0 308.378 1.284 50 0 DDAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2cnc3cnccn23)C1 ZINC000426423441 419469102 /nfs/dbraw/zinc/46/91/02/419469102.db2.gz ODBNFEZDZUHFHE-ZDUSSCGKSA-N 1 0 301.394 1.466 50 0 DDAARO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426668436 228592926 /nfs/dbraw/zinc/59/29/26/228592926.db2.gz RWOIAKWNLBVBBG-QLPKVWCKSA-N 1 0 318.417 1.735 50 0 DDAARO CC(C)C(=O)N1CCn2nc(C[NH2+][C@H]3CCSC3)cc2C1 ZINC000426534465 419502873 /nfs/dbraw/zinc/50/28/73/419502873.db2.gz 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276388894 /nfs/dbraw/zinc/38/88/94/276388894.db2.gz KUKGTSIKRAKKLD-RAFNIBEQSA-N 1 0 319.467 1.721 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000069811717 276760510 /nfs/dbraw/zinc/76/05/10/276760510.db2.gz YHWNQEJBDGVCDY-GVDBMIGSSA-N 1 0 317.433 1.754 50 0 DDAARO COCCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000237140814 277234108 /nfs/dbraw/zinc/23/41/08/277234108.db2.gz UMZNLLRJGHIACI-XJKSGUPXSA-N 1 0 306.406 1.911 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000178964322 277286236 /nfs/dbraw/zinc/28/62/36/277286236.db2.gz JKYWESTZESRRPO-DGCLKSJQSA-N 1 0 308.809 1.959 50 0 DDAARO C[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+](C)C ZINC000091444960 278136714 /nfs/dbraw/zinc/13/67/14/278136714.db2.gz QXVLMXOTIUBKSC-GFCCVEGCSA-N 1 0 316.405 1.362 50 0 DDAARO CC(C)[C@H](CNC(=O)c1cccc[n+]1[O-])[NH+]1CCC(C)CC1 ZINC000052822800 280252787 /nfs/dbraw/zinc/25/27/87/280252787.db2.gz AASRNSLISGNDFW-INIZCTEOSA-N 1 0 305.422 1.806 50 0 DDAARO CC[C@@H]1CN(C(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)CCO1 ZINC000106772111 280349614 /nfs/dbraw/zinc/34/96/14/280349614.db2.gz SVCBGDOANGHEDW-GOEBONIOSA-N 1 0 312.454 1.639 50 0 DDAARO Cn1c(SCC(=O)N2CCCCC2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426618129 294170714 /nfs/dbraw/zinc/17/07/14/294170714.db2.gz MCDCELBZFHPJMD-GFCCVEGCSA-N 1 0 323.466 1.387 50 0 DDAARO Cc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(C)n1 ZINC000065469289 302689560 /nfs/dbraw/zinc/68/95/60/302689560.db2.gz VDXMJVMJANKHLP-CQSZACIVSA-N 1 0 306.410 1.276 50 0 DDAARO CO[C@H]1CCN(C(=O)c2coc(Br)c2)[C@@H](C[NH3+])C1 ZINC000195557533 325714541 /nfs/dbraw/zinc/71/45/41/325714541.db2.gz FRNDECJAVCENBQ-ZJUUUORDSA-N 1 0 317.183 1.620 50 0 DDAARO O=S(=O)(CCOc1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000534592079 334294586 /nfs/dbraw/zinc/29/45/86/334294586.db2.gz NWHKJNISZXNJLR-INIZCTEOSA-N 1 0 324.446 1.471 50 0 DDAARO OCC1CCN(CC[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000534653049 334312934 /nfs/dbraw/zinc/31/29/34/334312934.db2.gz 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CC(=O)c1ccc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000299776669 527303740 /nfs/dbraw/zinc/30/37/40/527303740.db2.gz CGRFUJUTBQDYNF-MRXNPFEDSA-N 1 0 316.405 1.401 50 0 DDAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000170051430 545647714 /nfs/dbraw/zinc/64/77/14/545647714.db2.gz QBYDWUJJEQGRNB-KGLIPLIRSA-N 1 0 305.765 1.605 50 0 DDAARO CC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012708811 696051522 /nfs/dbraw/zinc/05/15/22/696051522.db2.gz WRJZMNHCKLHOKI-HNNXBMFYSA-N 1 0 309.454 1.816 50 0 DDAARO Cc1ccc2c(c1)ncn(CCC[N@@H+]1CCC[C@@H](CO)C1)c2=O ZINC000032592850 696125107 /nfs/dbraw/zinc/12/51/07/696125107.db2.gz LPXGFRRKLFOLDF-OAHLLOKOSA-N 1 0 315.417 1.799 50 0 DDAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3nccs3)CC2)C1 ZINC000108590705 696634237 /nfs/dbraw/zinc/63/42/37/696634237.db2.gz OSZSQBVHUNRTBG-ZDUSSCGKSA-N 1 0 323.466 1.317 50 0 DDAARO C[N@H+](C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000169752269 697344172 /nfs/dbraw/zinc/34/41/72/697344172.db2.gz UFTFOAFZVUCREV-UHFFFAOYSA-N 1 0 303.406 1.797 50 0 DDAARO CSCCC[N@@H+]1CC[C@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169782018 697345334 /nfs/dbraw/zinc/34/53/34/697345334.db2.gz ZMFZUNSPQZJXHR-AWEZNQCLSA-N 1 0 320.524 1.733 50 0 DDAARO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cncnc1N ZINC000185457382 697518502 /nfs/dbraw/zinc/51/85/02/697518502.db2.gz RJFSJGDDTJBNEH-UHFFFAOYSA-N 1 0 305.407 1.324 50 0 DDAARO C[N@@H+]1CCC[C@H](CN2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000299775648 698599161 /nfs/dbraw/zinc/59/91/61/698599161.db2.gz GHUIIQZLUDWUCC-HNNXBMFYSA-N 1 0 314.437 1.193 50 0 DDAARO CN(CC[N@H+](C)CCO)C(=O)c1cc(F)c(F)c(F)c1F ZINC000863947669 706043468 /nfs/dbraw/zinc/04/34/68/706043468.db2.gz RVSGQOWGELXGEI-UHFFFAOYSA-N 1 0 308.275 1.239 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](C)C[N@@H+]1C ZINC000864056864 706053688 /nfs/dbraw/zinc/05/36/88/706053688.db2.gz ILIQKDUSQVHVBV-FRRDWIJNSA-N 1 0 303.397 1.515 50 0 DDAARO CCCN1C[C@H]([NH2+]Cc2cnc(N3CCCC3)s2)CC1=O ZINC000952972863 721530246 /nfs/dbraw/zinc/53/02/46/721530246.db2.gz UYPHVRDAOAOFPF-GFCCVEGCSA-N 1 0 308.451 1.844 50 0 DDAARO COc1cccc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000952989932 721533202 /nfs/dbraw/zinc/53/32/02/721533202.db2.gz ZCYIJTJIIHGZIH-OAHLLOKOSA-N 1 0 320.433 1.970 50 0 DDAARO COc1cccc(C)c1C(=O)NC[C@H](O)C[NH+]1CCCCCC1 ZINC000952989928 721533205 /nfs/dbraw/zinc/53/32/05/721533205.db2.gz ZCYIJTJIIHGZIH-HNNXBMFYSA-N 1 0 320.433 1.970 50 0 DDAARO COc1ncc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)cn1 ZINC000952991273 721533662 /nfs/dbraw/zinc/53/36/62/721533662.db2.gz MSWQPWTXFSUIQJ-OAHLLOKOSA-N 1 0 318.421 1.852 50 0 DDAARO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cc1 ZINC000169749067 744187503 /nfs/dbraw/zinc/18/75/03/744187503.db2.gz JULXDRYKWOAOMV-NVXWUHKLSA-N 1 0 318.417 1.404 50 0 DDAARO COc1ccc(C(=O)N2CC[C@H](CO)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000581798198 761706343 /nfs/dbraw/zinc/70/63/43/761706343.db2.gz HPTQVKFLMSAJKU-IUODEOHRSA-N 1 0 322.405 1.088 50 0 DDAARO CC(C)N1C(=O)C(CC(=O)NCC[NH+](C)C)=C2CCCC[C@@H]21 ZINC000581792700 761710429 /nfs/dbraw/zinc/71/04/29/761710429.db2.gz KOEKVXNOCYBPSO-HNNXBMFYSA-N 1 0 307.438 1.544 50 0 DDAARO Cn1cc(C(=O)N2CC([N@H+](CC3CC3)C3CCOCC3)C2)cn1 ZINC000581794675 761712971 /nfs/dbraw/zinc/71/29/71/761712971.db2.gz MYXGSKARWVUXAP-UHFFFAOYSA-N 1 0 318.421 1.136 50 0 DDAARO COC[C@@H]1[C@H](C(=O)NCc2cc(F)cc(F)c2)CCC[N@@H+]1C ZINC000581813279 761714848 /nfs/dbraw/zinc/71/48/48/761714848.db2.gz RFISVJYVGRFXNK-HUUCEWRRSA-N 1 0 312.360 1.938 50 0 DDAARO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1COCCO1 ZINC000585128083 771960377 /nfs/dbraw/zinc/96/03/77/771960377.db2.gz RJYXSTFEBXINKC-MRXNPFEDSA-N 1 0 313.357 1.279 50 0 DDAARO Cc1csc2nc(CN3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc(=O)n12 ZINC000585133215 771965345 /nfs/dbraw/zinc/96/53/45/771965345.db2.gz AXGRDPXSZRDWMQ-IMRBUKKESA-N 1 0 304.419 1.056 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000585137911 771966668 /nfs/dbraw/zinc/96/66/68/771966668.db2.gz ABIPCAXZCAOHEN-HNNXBMFYSA-N 1 0 312.435 1.072 50 0 DDAARO Cc1csc([C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952861454 775589374 /nfs/dbraw/zinc/58/93/74/775589374.db2.gz GJVYKWBLIOQPLP-VXGBXAGGSA-N 1 0 324.450 1.168 50 0 DDAARO CN(CCOc1cccc(Cl)c1)C(=O)c1conc1C[NH3+] ZINC000407253041 877501705 /nfs/dbraw/zinc/50/17/05/877501705.db2.gz GMDZYKDDWHCODG-UHFFFAOYSA-N 1 0 309.753 1.938 50 0 DDAARO CN(CC[NH+](C)C)C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000055153843 282089443 /nfs/dbraw/zinc/08/94/43/282089443.db2.gz CRQHSDXQUBNOIM-UHFFFAOYSA-N 1 0 321.465 1.482 50 0 DDAARO CC1CC[NH+](CC(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000096954603 185393650 /nfs/dbraw/zinc/39/36/50/185393650.db2.gz VWLYONWUIFDBAO-UHFFFAOYSA-N 1 0 317.433 1.773 50 0 DDAARO COCCn1ccnc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000216060049 539264462 /nfs/dbraw/zinc/26/44/62/539264462.db2.gz PGDBHTDJAYACJB-UHFFFAOYSA-N 1 0 306.454 1.837 50 0 DDAARO CSc1ncc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)n1C ZINC000082109317 192357764 /nfs/dbraw/zinc/35/77/64/192357764.db2.gz SJCAYZIOVPDEPW-LBPRGKRZSA-N 1 0 311.451 1.960 50 0 DDAARO O=C1N(CC[C@H]2CCOC2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082146249 192361881 /nfs/dbraw/zinc/36/18/81/192361881.db2.gz XJJLIIVESIEUFZ-AWEZNQCLSA-N 1 0 315.417 1.994 50 0 DDAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000095419167 185359813 /nfs/dbraw/zinc/35/98/13/185359813.db2.gz IADQBFBMKBWNAB-CYBMUJFWSA-N 1 0 319.430 1.883 50 0 DDAARO CC(C)c1cc(C(=O)NCC2([NH+](C)C)CCOCC2)n(C)n1 ZINC000082146227 192362272 /nfs/dbraw/zinc/36/22/72/192362272.db2.gz PODJHKHRTMUJOB-UHFFFAOYSA-N 1 0 308.426 1.384 50 0 DDAARO [NH3+]CC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 ZINC000095432064 185363470 /nfs/dbraw/zinc/36/34/70/185363470.db2.gz SYUCAMUBERFOPH-UHFFFAOYSA-N 1 0 324.233 1.938 50 0 DDAARO C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)(C)C[NH+](C)C ZINC000095437012 185365140 /nfs/dbraw/zinc/36/51/40/185365140.db2.gz DWTSFPYWVSQULI-TZMCWYRMSA-N 1 0 324.469 1.415 50 0 DDAARO O=C(OCCN1CCCCCC1=O)c1ccn2c[nH+]cc2c1 ZINC000095463420 185371313 /nfs/dbraw/zinc/37/13/13/185371313.db2.gz TXLLKCIQMTZFBG-UHFFFAOYSA-N 1 0 301.346 1.894 50 0 DDAARO COC(=O)CN1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000097162188 185417759 /nfs/dbraw/zinc/41/77/59/185417759.db2.gz RDGNSARUJFVBJD-MRXNPFEDSA-N 1 0 317.433 1.492 50 0 DDAARO COCCn1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000042908688 190672837 /nfs/dbraw/zinc/67/28/37/190672837.db2.gz PVBIKBVUZRFJPL-UHFFFAOYSA-N 1 0 323.441 1.960 50 0 DDAARO CCN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000067803675 190723358 /nfs/dbraw/zinc/72/33/58/190723358.db2.gz KMTOVLBNGACARY-AWEZNQCLSA-N 1 0 317.499 1.817 50 0 DDAARO CCn1cnnc1CCNc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067784024 190720991 /nfs/dbraw/zinc/72/09/91/190720991.db2.gz RMINHJILTRDNMK-CYBMUJFWSA-N 1 0 315.425 1.518 50 0 DDAARO Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685941145 539565707 /nfs/dbraw/zinc/56/57/07/539565707.db2.gz 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/nfs/dbraw/zinc/18/92/44/182189244.db2.gz IGHRTVKTTHAEOL-UHFFFAOYSA-N 1 0 303.200 1.393 50 0 DDAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1OC ZINC000020118454 182189405 /nfs/dbraw/zinc/18/94/05/182189405.db2.gz BYXWPIZLZNUQSA-CQSZACIVSA-N 1 0 306.406 1.992 50 0 DDAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000021045250 182263520 /nfs/dbraw/zinc/26/35/20/182263520.db2.gz ISJZPFDELDMSIX-HNNXBMFYSA-N 1 0 301.390 1.252 50 0 DDAARO COC(=O)[C@@H](C)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022039403 182305909 /nfs/dbraw/zinc/30/59/09/182305909.db2.gz DEMFGFNRDFUPMB-ZDUSSCGKSA-N 1 0 320.389 1.342 50 0 DDAARO CN(Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCCO1 ZINC000023619871 182364370 /nfs/dbraw/zinc/36/43/70/182364370.db2.gz SEPFONMXFSJHDL-MRXNPFEDSA-N 1 0 307.442 1.279 50 0 DDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@@H]12 ZINC000333522583 249010389 /nfs/dbraw/zinc/01/03/89/249010389.db2.gz GUXVBRNNKXQZTJ-SJXGUFTOSA-N 1 0 315.417 1.931 50 0 DDAARO CCCn1nc(C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1=O ZINC000040522803 183091745 /nfs/dbraw/zinc/09/17/45/183091745.db2.gz WZVVYNFQFBDIGW-HNNXBMFYSA-N 1 0 320.437 1.504 50 0 DDAARO Cc1cc(C)n(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000041953423 183226852 /nfs/dbraw/zinc/22/68/52/183226852.db2.gz CTBSADPTQKWSCQ-CYBMUJFWSA-N 1 0 306.435 1.981 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)c1cnc(-c2ccncc2)nc1 ZINC000102536353 193895557 /nfs/dbraw/zinc/89/55/57/193895557.db2.gz OJFGFURHRVPINF-UHFFFAOYSA-N 1 0 311.389 1.754 50 0 DDAARO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000106168480 194188737 /nfs/dbraw/zinc/18/87/37/194188737.db2.gz BRZDWLCZYIKYKI-GJZGRUSLSA-N 1 0 318.417 1.845 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000106575861 194231890 /nfs/dbraw/zinc/23/18/90/194231890.db2.gz IENOZARTUUIRJG-GDBMZVCRSA-N 1 0 317.433 1.664 50 0 DDAARO CC[NH+]1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000058055644 184072157 /nfs/dbraw/zinc/07/21/57/184072157.db2.gz 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Cc1ccc([C@H](C)[NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)o1 ZINC000095420027 407213597 /nfs/dbraw/zinc/21/35/97/407213597.db2.gz DJVPENFYRUMLHS-XHSDSOJGSA-N 1 0 308.422 1.976 50 0 DDAARO CCc1nc(CN(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)no1 ZINC000095961633 407218145 /nfs/dbraw/zinc/21/81/45/407218145.db2.gz SBMWQDJOFQENKM-CYBMUJFWSA-N 1 0 304.398 1.035 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)CC2 ZINC000095973574 407219334 /nfs/dbraw/zinc/21/93/34/407219334.db2.gz PMMIUKMYYXHEJH-HNNXBMFYSA-N 1 0 303.406 1.685 50 0 DDAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O ZINC000095985345 407220867 /nfs/dbraw/zinc/22/08/67/407220867.db2.gz AEEMHPMZOPPQAZ-GZMMTYOYSA-N 1 0 302.371 1.144 50 0 DDAARO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096415504 407262103 /nfs/dbraw/zinc/26/21/03/407262103.db2.gz ZUVXXMMRGKMCNZ-CVEARBPZSA-N 1 0 319.453 1.420 50 0 DDAARO C[C@@H](C1CCN(c2nc(CO)cs2)CC1)[NH+]1CCN(C)CC1 ZINC000096130431 407239203 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O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CC1CC1 ZINC000067431774 407273742 /nfs/dbraw/zinc/27/37/42/407273742.db2.gz WKVNLGNEOIJRNA-KRWDZBQOSA-N 1 0 314.389 1.238 50 0 DDAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000067473330 407274608 /nfs/dbraw/zinc/27/46/08/407274608.db2.gz FAVYNVKITFEXLH-HVJNQHDOSA-N 1 0 317.433 1.793 50 0 DDAARO O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067542822 407275684 /nfs/dbraw/zinc/27/56/84/407275684.db2.gz NYHLWRSVZROPGJ-LBPRGKRZSA-N 1 0 303.362 1.451 50 0 DDAARO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](O)C1 ZINC000097085911 407279924 /nfs/dbraw/zinc/27/99/24/407279924.db2.gz VSNUBGKFSSXGDB-QWRGUYRKSA-N 1 0 305.296 1.512 50 0 DDAARO C[C@@H](C[NH3+])C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067713657 407281130 /nfs/dbraw/zinc/28/11/30/407281130.db2.gz IMXFOFLLEBDBNN-AWEZNQCLSA-N 1 0 312.417 1.929 50 0 DDAARO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000097159045 407282883 /nfs/dbraw/zinc/28/28/83/407282883.db2.gz ULOGRIWIJAAGRE-QGZVFWFLSA-N 1 0 311.385 1.741 50 0 DDAARO COc1ccc([C@H](O)C[NH2+]Cc2c(C)nn(CCO)c2C)cc1 ZINC000097159989 407284194 /nfs/dbraw/zinc/28/41/94/407284194.db2.gz PTKVBFLYFKKPDX-QGZVFWFLSA-N 1 0 319.405 1.324 50 0 DDAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000097159305 407284310 /nfs/dbraw/zinc/28/43/10/407284310.db2.gz LDTDRCHRPRDAMY-UHFFFAOYSA-N 1 0 300.406 1.840 50 0 DDAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000097199368 407286815 /nfs/dbraw/zinc/28/68/15/407286815.db2.gz RJCYOGKTIICZHL-OAHLLOKOSA-N 1 0 323.404 1.487 50 0 DDAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3c(CO)cnc(C)c3O)C2)n1 ZINC000067868831 407287917 /nfs/dbraw/zinc/28/79/17/407287917.db2.gz LDFPMJDWCQHZPD-OAHLLOKOSA-N 1 0 316.405 1.848 50 0 DDAARO COc1cc2c(cc1C[NH+]1CCC3(C[C@@H](O)CO3)CC1)OCO2 ZINC000097681972 407301825 /nfs/dbraw/zinc/30/18/25/407301825.db2.gz IQNHSPRLPFLSDN-CYBMUJFWSA-N 1 0 321.373 1.540 50 0 DDAARO Cc1cc(C)n(Cc2cccc(C(=O)N3CC[NH2+]C[C@@H]3C)c2)n1 ZINC000126166149 407406917 /nfs/dbraw/zinc/40/69/17/407406917.db2.gz DSDCGAMGORQWPQ-HNNXBMFYSA-N 1 0 312.417 1.982 50 0 DDAARO Cn1cncc1C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111388796 407409780 /nfs/dbraw/zinc/40/97/80/407409780.db2.gz CGWSFJCJJQWQQH-ZDUSSCGKSA-N 1 0 304.781 1.969 50 0 DDAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccon1 ZINC000195539369 407463475 /nfs/dbraw/zinc/46/34/75/407463475.db2.gz IIVVAOITMXXZAP-UPJWGTAASA-N 1 0 315.439 1.460 50 0 DDAARO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000195554745 407468011 /nfs/dbraw/zinc/46/80/11/407468011.db2.gz QCRSDGPOJVHOPT-OCCSQVGLSA-N 1 0 310.419 1.107 50 0 DDAARO O=C(C[NH+]1CCCC1)NCCc1noc(-c2ccccc2)n1 ZINC000214961056 407479433 /nfs/dbraw/zinc/47/94/33/407479433.db2.gz DKOQRNXBTJJICU-UHFFFAOYSA-N 1 0 300.362 1.491 50 0 DDAARO CO[C@H]1C[N@H+](C2CCN(C(=O)C(C)C)CC2)C12CCOCC2 ZINC000257183096 407485256 /nfs/dbraw/zinc/48/52/56/407485256.db2.gz QVAHMHZGIGOXAH-HNNXBMFYSA-N 1 0 310.438 1.513 50 0 DDAARO Cc1nnc(CNC(=O)C2([NH+]3CCCCC3)CCCCC2)[nH]1 ZINC000215660254 407488056 /nfs/dbraw/zinc/48/80/56/407488056.db2.gz ZZBXTNQZYBDZQS-UHFFFAOYSA-N 1 0 305.426 1.918 50 0 DDAARO CC[C@]1(CO)CCC[N@@H+]1CC(=O)NCCc1ccccc1OC ZINC000170603283 407449829 /nfs/dbraw/zinc/44/98/29/407449829.db2.gz AHOSYUGSSBKAOH-GOSISDBHSA-N 1 0 320.433 1.591 50 0 DDAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ncncc2Br)C1 ZINC000170618635 407458071 /nfs/dbraw/zinc/45/80/71/407458071.db2.gz UYDYDWZEGHZCAE-VIFPVBQESA-N 1 0 313.199 1.405 50 0 DDAARO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCc3ccccc3NC2=O)C1 ZINC000225399688 407581434 /nfs/dbraw/zinc/58/14/34/407581434.db2.gz OZINYQWLLXMOHR-YOEHRIQHSA-N 1 0 315.417 1.740 50 0 DDAARO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2 ZINC000220008132 407537277 /nfs/dbraw/zinc/53/72/77/407537277.db2.gz PIPQBQXGZWFUOO-SBLNNXNXSA-N 1 0 313.401 1.828 50 0 DDAARO Cc1nc(CN(C)c2cc(C3CC(O)C3)[nH+]c(N)n2)cs1 ZINC000220088865 407538054 /nfs/dbraw/zinc/53/80/54/407538054.db2.gz RMMOKQWLODSTGB-UHFFFAOYSA-N 1 0 305.407 1.698 50 0 DDAARO CN(Cc1cnccn1)c1cc(C2CC([NH3+])C2)nc(C2CC2)n1 ZINC000220564777 407542107 /nfs/dbraw/zinc/54/21/07/407542107.db2.gz PXMVWPWLXXNDMK-UHFFFAOYSA-N 1 0 310.405 1.985 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC000229918334 407675018 /nfs/dbraw/zinc/67/50/18/407675018.db2.gz PMGDTHOVIVCJIH-DOTOQJQBSA-N 1 0 323.481 1.166 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000178983366 407682295 /nfs/dbraw/zinc/68/22/95/407682295.db2.gz OGFACGGVGKTIHD-LLVKDONJSA-N 1 0 303.341 1.088 50 0 DDAARO Cc1cccc(-n2cc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])nn2)c1 ZINC000237659268 407836634 /nfs/dbraw/zinc/83/66/34/407836634.db2.gz PBRRWPPCNOKQAT-BBRMVZONSA-N 1 0 313.405 1.775 50 0 DDAARO CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1([NH3+])CCCCC1)CC2 ZINC000262462275 407839146 /nfs/dbraw/zinc/83/91/46/407839146.db2.gz KTPLWGBNQABWNN-KBPBESRZSA-N 1 0 310.438 1.427 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000133579575 407859445 /nfs/dbraw/zinc/85/94/45/407859445.db2.gz VFIKKLRBLUAVAX-KRWDZBQOSA-N 1 0 317.433 1.343 50 0 DDAARO C[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H](C)[NH2+]1 ZINC000153601436 407861429 /nfs/dbraw/zinc/86/14/29/407861429.db2.gz OYOMEYSMBAUKKG-GHMZBOCLSA-N 1 0 324.808 1.863 50 0 DDAARO CCn1c(CN(C)CC2(CO)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244678678 407930460 /nfs/dbraw/zinc/93/04/60/407930460.db2.gz IIDUMHMCFRGGER-HDJSIYSDSA-N 1 0 321.469 1.487 50 0 DDAARO CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000244701181 407931834 /nfs/dbraw/zinc/93/18/34/407931834.db2.gz KBPLPSFVAVMEAF-MRXNPFEDSA-N 1 0 319.405 1.820 50 0 DDAARO Cc1c(NC(=O)CN(C)C[C@H]2Cc3ccccc3O2)cnn1C ZINC000244742242 407934749 /nfs/dbraw/zinc/93/47/49/407934749.db2.gz OEHYZTPDDKCRBY-CQSZACIVSA-N 1 0 314.389 1.603 50 0 DDAARO O=c1[nH]ccn1CC[NH+]1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000244787734 407937637 /nfs/dbraw/zinc/93/76/37/407937637.db2.gz QCRHMEOHHMZAGQ-INIZCTEOSA-N 1 0 313.401 1.127 50 0 DDAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000244795684 407938661 /nfs/dbraw/zinc/93/86/61/407938661.db2.gz RLUCWPBNPMMDPN-XEZPLFJOSA-N 1 0 324.371 1.834 50 0 DDAARO COc1ccc(CNC(=O)CC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000244795707 407939383 /nfs/dbraw/zinc/93/93/83/407939383.db2.gz RMCSHXNGCPBGTH-CQSZACIVSA-N 1 0 306.406 1.812 50 0 DDAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c1 ZINC000262812771 407940849 /nfs/dbraw/zinc/94/08/49/407940849.db2.gz YMOOPDBEQHUVFJ-QWHCGFSZSA-N 1 0 319.430 1.914 50 0 DDAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH]n1 ZINC000154225091 408000345 /nfs/dbraw/zinc/00/03/45/408000345.db2.gz FKUUBCHOHOWVDG-UWVGGRQHSA-N 1 0 316.409 1.249 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000246668470 408313425 /nfs/dbraw/zinc/31/34/25/408313425.db2.gz FEYNBMSCNWKAQA-MYZSUADSSA-N 1 0 316.401 1.770 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000269184397 286923155 /nfs/dbraw/zinc/92/31/55/286923155.db2.gz JWDXOSUECCUNJF-ZWNOBZJWSA-N 1 0 303.362 1.359 50 0 DDAARO C[C@H](C(=O)N[C@H](CO)Cc1ccc(O)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249099797 408691863 /nfs/dbraw/zinc/69/18/63/408691863.db2.gz ZPJVDEPDERDOLN-KQTLUZQSSA-N 1 0 320.433 1.673 50 0 DDAARO Cc1ccccc1[C@H](CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)NC(N)=O ZINC000252656804 408806167 /nfs/dbraw/zinc/80/61/67/408806167.db2.gz WAEXHUXEDANGSD-YDHLFZDLSA-N 1 0 318.421 1.303 50 0 DDAARO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000277814162 409016616 /nfs/dbraw/zinc/01/66/16/409016616.db2.gz PVCVOKVEKKSTMX-UHFFFAOYSA-N 1 0 315.377 1.756 50 0 DDAARO Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)n2)cc1 ZINC000278051919 409057316 /nfs/dbraw/zinc/05/73/16/409057316.db2.gz YDHLHHSOFFDCJQ-NWDGAFQWSA-N 1 0 303.387 1.780 50 0 DDAARO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000283293687 409130108 /nfs/dbraw/zinc/13/01/08/409130108.db2.gz YBRBCPVWOWDHRN-KRWDZBQOSA-N 1 0 318.465 1.716 50 0 DDAARO [NH3+]C1(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CCC1 ZINC000342578142 409736972 /nfs/dbraw/zinc/73/69/72/409736972.db2.gz CDLUSQCMFABOQK-INIZCTEOSA-N 1 0 315.417 1.738 50 0 DDAARO Cn1cc(N2CCN(C[C@H]3CCCC(F)(F)C3)CC2=O)cn1 ZINC000338319648 409905130 /nfs/dbraw/zinc/90/51/30/409905130.db2.gz RDKXUVQQMMBAAO-LBPRGKRZSA-N 1 0 312.364 1.894 50 0 DDAARO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000333244815 410440056 /nfs/dbraw/zinc/44/00/56/410440056.db2.gz FMIZRMPATLBRAE-KBXIAJHMSA-N 1 0 320.437 1.627 50 0 DDAARO Cc1ccccc1-n1cc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2[NH3+])cn1 ZINC000299763834 410611080 /nfs/dbraw/zinc/61/10/80/410611080.db2.gz FFJPFTWUUGHMND-ATLSCFEFSA-N 1 0 322.412 1.946 50 0 DDAARO Cc1[nH]nc(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c1Cl ZINC000299767356 410614865 /nfs/dbraw/zinc/61/48/65/410614865.db2.gz KFMCLFUDSYDPJX-JTQLQIEISA-N 1 0 300.790 1.022 50 0 DDAARO CCc1nc(C)c(CNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)s1 ZINC000299785097 410626935 /nfs/dbraw/zinc/62/69/35/410626935.db2.gz IWAGQKVRFMKHER-ZDUSSCGKSA-N 1 0 319.430 1.906 50 0 DDAARO CCc1csc(CCNC(=O)CN2CC[NH+](CC)CC2)n1 ZINC000299793110 410632052 /nfs/dbraw/zinc/63/20/52/410632052.db2.gz JYMWQCVRNNDPMC-UHFFFAOYSA-N 1 0 310.467 1.002 50 0 DDAARO Cc1nnnn1CCC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000299800624 410638946 /nfs/dbraw/zinc/63/89/46/410638946.db2.gz XBTBAAFFVNGMON-OAHLLOKOSA-N 1 0 316.409 1.099 50 0 DDAARO C[C@@H]1CCN(c2nc(C(F)(F)F)nc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000643052372 423032917 /nfs/dbraw/zinc/03/29/17/423032917.db2.gz YODMAASPTMHEKK-HTQZYQBOSA-N 1 0 314.315 1.793 50 0 DDAARO Cn1cc(C[N@H+](C)C[C@H](O)c2ccc3c(c2)OCCCO3)cn1 ZINC000044974461 418434202 /nfs/dbraw/zinc/43/42/02/418434202.db2.gz CMNGBYHQCJIZBE-HNNXBMFYSA-N 1 0 317.389 1.747 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(CC(N)=O)CC1 ZINC000046372457 418447673 /nfs/dbraw/zinc/44/76/73/418447673.db2.gz WIIJFCVLCSXVNC-ZDUSSCGKSA-N 1 0 310.442 1.158 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC000107504677 418498810 /nfs/dbraw/zinc/49/88/10/418498810.db2.gz HNZNHRZINPGVEG-BNOWGMLFSA-N 1 0 322.409 1.547 50 0 DDAARO C[C@@H]1CN(C(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCO1 ZINC000170076974 418517815 /nfs/dbraw/zinc/51/78/15/418517815.db2.gz GNIGZYJBKDBIBO-PBHICJAKSA-N 1 0 302.418 1.845 50 0 DDAARO O=C(c1ccc(=O)[nH]c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048262521 418468471 /nfs/dbraw/zinc/46/84/71/418468471.db2.gz FHVHXYASJOJHQK-UHFFFAOYSA-N 1 0 317.414 1.785 50 0 DDAARO O[C@@H](C[NH2+]CCc1nnc2ccccn21)c1ccc(F)c(F)c1 ZINC000048346000 418470644 /nfs/dbraw/zinc/47/06/44/418470644.db2.gz LKYWBEDYXYBIIJ-AWEZNQCLSA-N 1 0 318.327 1.873 50 0 DDAARO Cc1ccc(N2CCC(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1 ZINC000195217402 418554191 /nfs/dbraw/zinc/55/41/91/418554191.db2.gz PYQFUTSRVVMMTJ-IYBDPMFKSA-N 1 0 314.433 1.284 50 0 DDAARO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000408524913 418808916 /nfs/dbraw/zinc/80/89/16/418808916.db2.gz YMKKLHSAWZBCMT-VXGBXAGGSA-N 1 0 319.434 1.403 50 0 DDAARO CCN(C(=O)c1ccc(OC)cc1OCC[NH3+])C1CCOCC1 ZINC000426471299 419476569 /nfs/dbraw/zinc/47/65/69/419476569.db2.gz DJUWIBBTAOUEIR-UHFFFAOYSA-N 1 0 322.405 1.674 50 0 DDAARO Cc1cc(=O)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000426518450 419494174 /nfs/dbraw/zinc/49/41/74/419494174.db2.gz YPDLKLCYGODAFB-UHFFFAOYSA-N 1 0 303.406 1.774 50 0 DDAARO C[C@@H]1Cc2cc(C(=O)N3CCOC4(CC[NH2+]CC4)C3)ccc2O1 ZINC000426613641 419517630 /nfs/dbraw/zinc/51/76/30/419517630.db2.gz PEKGGDWXFYJCAP-CYBMUJFWSA-N 1 0 316.401 1.605 50 0 DDAARO Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)O)C2)cc1OCC[NH3+] ZINC000426613644 419517717 /nfs/dbraw/zinc/51/77/17/419517717.db2.gz PMNMKUBSEUTCLK-CQSZACIVSA-N 1 0 306.406 1.566 50 0 DDAARO Nc1cnc(-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)cn1 ZINC000426622943 419518908 /nfs/dbraw/zinc/51/89/08/419518908.db2.gz MMTFLHAKJXPZFB-UHFFFAOYSA-N 1 0 311.389 1.551 50 0 DDAARO Cn1nccc1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000426530393 419500210 /nfs/dbraw/zinc/50/02/10/419500210.db2.gz JCVUBIKXKLWLNR-NVXWUHKLSA-N 1 0 316.449 1.686 50 0 DDAARO Cc1nc(CNC(=O)c2ccc(C)c(OCC[NH3+])c2)n(C)c1C ZINC000426533935 419502223 /nfs/dbraw/zinc/50/22/23/419502223.db2.gz DVJIHVOKGXFVPB-UHFFFAOYSA-N 1 0 316.405 1.613 50 0 DDAARO Cc1cccc(N2CCC([NH2+]C[C@H]3CNCCO3)CC2)c1C ZINC000426544684 419503105 /nfs/dbraw/zinc/50/31/05/419503105.db2.gz IOYIGDKXIKRFDA-QGZVFWFLSA-N 1 0 303.450 1.850 50 0 DDAARO Cc1ccc(CS(=O)(=O)NC2(C[NH3+])CCOCC2)cc1C ZINC000528055883 421469357 /nfs/dbraw/zinc/46/93/57/421469357.db2.gz HVOFWDYSQIUBAE-UHFFFAOYSA-N 1 0 312.435 1.231 50 0 DDAARO Nc1nnc(CNC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000534672369 421694421 /nfs/dbraw/zinc/69/44/21/421694421.db2.gz ZDESZBVVSUPIME-UHFFFAOYSA-N 1 0 317.462 1.917 50 0 DDAARO CC[C@](C)(CO)[NH2+]CCS(=O)(=O)c1cccc(OC)c1 ZINC000069968369 276648163 /nfs/dbraw/zinc/64/81/63/276648163.db2.gz ANIWSETXKUMGPE-CQSZACIVSA-N 1 0 301.408 1.220 50 0 DDAARO COc1cc2c(cc1OC)CCN(c1cc(C)[nH+]c(N)n1)CC2 ZINC000057150208 277853923 /nfs/dbraw/zinc/85/39/23/277853923.db2.gz ZBTKVOAPSQIJKB-UHFFFAOYSA-N 1 0 314.389 1.990 50 0 DDAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCC(N)=O ZINC000019872415 278012471 /nfs/dbraw/zinc/01/24/71/278012471.db2.gz AVYDXJRFBHSAAN-UHFFFAOYSA-N 1 0 314.385 1.892 50 0 DDAARO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000299805200 278381998 /nfs/dbraw/zinc/38/19/98/278381998.db2.gz CLSSHGGBDWCHLA-STQMWFEESA-N 1 0 324.425 1.142 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000008342467 289277276 /nfs/dbraw/zinc/27/72/76/289277276.db2.gz GDCUBEDQOWSOFJ-INIZCTEOSA-N 1 0 317.433 1.808 50 0 DDAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000190024805 290042718 /nfs/dbraw/zinc/04/27/18/290042718.db2.gz NLKMFQOSLMISCQ-CQDKDKBSSA-N 1 0 324.446 1.785 50 0 DDAARO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000367069637 307084541 /nfs/dbraw/zinc/08/45/41/307084541.db2.gz XNTQURXGIMAODM-INIZCTEOSA-N 1 0 323.481 1.432 50 0 DDAARO COc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(F)c1 ZINC000534577374 334288071 /nfs/dbraw/zinc/28/80/71/334288071.db2.gz ISYPNTFEOGZUGE-GJZGRUSLSA-N 1 0 308.353 1.427 50 0 DDAARO C[C@@H](C(=O)NCC1(CN2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000534582491 334289843 /nfs/dbraw/zinc/28/98/43/334289843.db2.gz OXTQOCACJLSEPU-INIZCTEOSA-N 1 0 323.481 1.480 50 0 DDAARO CNc1nc(NCCc2nc3c(s2)CCCC3)cc(C)[nH+]1 ZINC000534651182 334311948 /nfs/dbraw/zinc/31/19/48/334311948.db2.gz SQPJASWBDLQQKF-UHFFFAOYSA-N 1 0 303.435 1.660 50 0 DDAARO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCO1 ZINC000534657569 334314545 /nfs/dbraw/zinc/31/45/45/334314545.db2.gz LGYJMVAAIFCPDV-NSHDSACASA-N 1 0 312.416 1.250 50 0 DDAARO CC[C@H](C[NH+](C)C)NC(=O)N1CCOc2ccc(CO)cc2C1 ZINC000534649813 334316951 /nfs/dbraw/zinc/31/69/51/334316951.db2.gz DXZVZBMSWFVPGV-OAHLLOKOSA-N 1 0 321.421 1.423 50 0 DDAARO CCn1nc(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1C ZINC000097229356 337382256 /nfs/dbraw/zinc/38/22/56/337382256.db2.gz QSKBNAIVXNKIBR-CQSZACIVSA-N 1 0 316.471 1.562 50 0 DDAARO CC(C)(O)CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000121005263 337383048 /nfs/dbraw/zinc/38/30/48/337383048.db2.gz MSIJMBQSRGMZSX-AWEZNQCLSA-N 1 0 318.483 1.474 50 0 DDAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000585094200 483921875 /nfs/dbraw/zinc/92/18/75/483921875.db2.gz OKEQJOIYHSNZEX-ZOBUZTSGSA-N 1 0 312.454 1.545 50 0 DDAARO Cc1cccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000084210702 483991859 /nfs/dbraw/zinc/99/18/59/483991859.db2.gz SYZXJUYGRIEEPH-SJORKVTESA-N 1 0 302.418 1.595 50 0 DDAARO NC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263623300 484276953 /nfs/dbraw/zinc/27/69/53/484276953.db2.gz GIFBEMDWHSJTKZ-UHFFFAOYSA-N 1 0 307.707 1.769 50 0 DDAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1nnc(N)s1 ZINC000670448925 484835668 /nfs/dbraw/zinc/83/56/68/484835668.db2.gz PZRIOTOBZSPZPA-SNVBAGLBSA-N 1 0 309.439 1.706 50 0 DDAARO O=C(NC1CC[NH+](CCO)CC1)c1cccc2c1CCC2=O ZINC000670451329 484839152 /nfs/dbraw/zinc/83/91/52/484839152.db2.gz FGAMJTREZCMKKM-UHFFFAOYSA-N 1 0 302.374 1.002 50 0 DDAARO O=S(=O)(N1CCCC1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000670459820 484843790 /nfs/dbraw/zinc/84/37/90/484843790.db2.gz QLNFUDBNNTTZHA-OAHLLOKOSA-N 1 0 313.467 1.301 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1 ZINC000159026254 522082485 /nfs/dbraw/zinc/08/24/85/522082485.db2.gz JCHSRNKRVKOTLY-CQSZACIVSA-N 1 0 306.406 1.840 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)Cc2csc(-c3cnccn3)n2)C1 ZINC000158138912 527398811 /nfs/dbraw/zinc/39/88/11/527398811.db2.gz SBIFBLXOGCNTOW-JTQLQIEISA-N 1 0 303.391 1.092 50 0 DDAARO O=C(CCCn1cncn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000054055707 696272455 /nfs/dbraw/zinc/27/24/55/696272455.db2.gz JAFQHEPUOYCVGA-CQSZACIVSA-N 1 0 317.393 1.605 50 0 DDAARO CCOc1ccc(OCc2nc3c(c(=O)[nH]2)CC[NH2+]C3)cc1 ZINC000077287689 696438203 /nfs/dbraw/zinc/43/82/03/696438203.db2.gz REDLDWPZGJCXIM-UHFFFAOYSA-N 1 0 301.346 1.393 50 0 DDAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CO)c(OC)c1 ZINC000097994586 696605923 /nfs/dbraw/zinc/60/59/23/696605923.db2.gz NJHMHZOAKJEEST-GEXIGZQTSA-N 1 0 309.406 1.829 50 0 DDAARO NC(=O)c1cccnc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000169759346 697344643 /nfs/dbraw/zinc/34/46/43/697344643.db2.gz LBWNTVOLGRPHNK-UHFFFAOYSA-N 1 0 312.373 1.619 50 0 DDAARO C[N@@H+]1C[C@H](C(=O)NCCc2ccncc2)C2(C1)CCOCC2 ZINC000169792434 697346590 /nfs/dbraw/zinc/34/65/90/697346590.db2.gz PWTJPRVWIVLXIV-OAHLLOKOSA-N 1 0 303.406 1.099 50 0 DDAARO Cc1cc(C)cc(C[C@@H](C)NC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000863948206 706043987 /nfs/dbraw/zinc/04/39/87/706043987.db2.gz WFQODNJQEVCIDL-MRXNPFEDSA-N 1 0 317.477 1.844 50 0 DDAARO CC[C@H](C)[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000888099853 709213624 /nfs/dbraw/zinc/21/36/24/709213624.db2.gz VMIQFXLWLIIBDR-SWLSCSKDSA-N 1 0 323.412 1.648 50 0 DDAARO Cc1nnnn1-c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000952967108 721529066 /nfs/dbraw/zinc/52/90/66/721529066.db2.gz IQGAQTBVBUZVJU-GFCCVEGCSA-N 1 0 314.393 1.641 50 0 DDAARO Nc1ncccc1C[NH2+][C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000952990325 721533136 /nfs/dbraw/zinc/53/31/36/721533136.db2.gz XGRNASJFJLNBKP-ZDUSSCGKSA-N 1 0 300.362 1.651 50 0 DDAARO C[C@H](Cn1cncn1)C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000823692179 758343508 /nfs/dbraw/zinc/34/35/08/758343508.db2.gz OYLBBUSPRXQHTC-CQSZACIVSA-N 1 0 307.442 1.637 50 0 DDAARO C[NH+]1CCC(OCCCNS(=O)(=O)CC2CCCC2)CC1 ZINC000823765076 758352093 /nfs/dbraw/zinc/35/20/93/758352093.db2.gz STFQHGDGIKZUGC-UHFFFAOYSA-N 1 0 318.483 1.597 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000824413168 759178663 /nfs/dbraw/zinc/17/86/63/759178663.db2.gz PUZNIGIPOHBOBG-AWEZNQCLSA-N 1 0 321.421 1.492 50 0 DDAARO C[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1CCO ZINC000828747285 759762980 /nfs/dbraw/zinc/76/29/80/759762980.db2.gz TZVHSENWWQRYRR-MRXNPFEDSA-N 1 0 300.406 1.575 50 0 DDAARO O=C([C@H]1CCOC1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581775939 761698220 /nfs/dbraw/zinc/69/82/20/761698220.db2.gz CNEINIJQEFGBLX-INIZCTEOSA-N 1 0 315.417 1.541 50 0 DDAARO COCCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000581783922 761702426 /nfs/dbraw/zinc/70/24/26/761702426.db2.gz OBKVQJQJZOEGRM-OAHLLOKOSA-N 1 0 310.438 1.659 50 0 DDAARO CCCS(=O)(=O)N1CCC[N@H+](CC)C2(CCOCC2)C1 ZINC000581801655 761707414 /nfs/dbraw/zinc/70/74/14/761707414.db2.gz AFDBTIPOHZVPMQ-UHFFFAOYSA-N 1 0 304.456 1.303 50 0 DDAARO CCC[NH+](CCC)Cc1cc(C(=O)NC(C)(C)CC(N)=O)no1 ZINC000584908562 771885172 /nfs/dbraw/zinc/88/51/72/771885172.db2.gz ZDGUNJKREQJWJJ-UHFFFAOYSA-N 1 0 324.425 1.680 50 0 DDAARO Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc3c[nH+]c(C)n3c1)C2 ZINC000585080868 771928351 /nfs/dbraw/zinc/92/83/51/771928351.db2.gz CMWUNWMIVBPPOA-CQSZACIVSA-N 1 0 309.373 1.892 50 0 DDAARO O=C(NC[C@@H]1CCC[N@H+](CCn2cnnc2)C1)c1ccco1 ZINC000952868632 775598848 /nfs/dbraw/zinc/59/88/48/775598848.db2.gz FJBINKRTNHAIFW-ZDUSSCGKSA-N 1 0 303.366 1.013 50 0 DDAARO CCC[NH+]1CCC(CC(=O)N[C@H](C)c2nnc(N)s2)CC1 ZINC000095502144 185375002 /nfs/dbraw/zinc/37/50/02/185375002.db2.gz UUDKZNBRVNRMMC-SNVBAGLBSA-N 1 0 311.455 1.810 50 0 DDAARO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000077011717 185067794 /nfs/dbraw/zinc/06/77/94/185067794.db2.gz ZRHMJNUBQJZECJ-OAHLLOKOSA-N 1 0 315.414 1.849 50 0 DDAARO CC(C)C[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)Nc1nccs1 ZINC000091842705 539174852 /nfs/dbraw/zinc/17/48/52/539174852.db2.gz ZBSGOHBNTCVNIH-QWRGUYRKSA-N 1 0 312.439 1.563 50 0 DDAARO O=S(=O)(NCC[NH2+][C@H]1CCc2ccccc21)c1cccnc1 ZINC000090583114 185305322 /nfs/dbraw/zinc/30/53/22/185305322.db2.gz HHKOMVHXIGFTCL-INIZCTEOSA-N 1 0 317.414 1.637 50 0 DDAARO CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000082108540 192356995 /nfs/dbraw/zinc/35/69/95/192356995.db2.gz IXSSKWIKKWFQRQ-LLVKDONJSA-N 1 0 323.443 1.818 50 0 DDAARO 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COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](CC(C)C)CC2)c1C ZINC000040481448 183076660 /nfs/dbraw/zinc/07/66/60/183076660.db2.gz SHOXMEPCHCVVSZ-UHFFFAOYSA-N 1 0 321.421 1.832 50 0 DDAARO O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040534780 183094669 /nfs/dbraw/zinc/09/46/69/183094669.db2.gz IGNTZYXKZCLCPU-WDEREUQCSA-N 1 0 316.327 1.645 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 ZINC000040597568 183107278 /nfs/dbraw/zinc/10/72/78/183107278.db2.gz OFDPXVZUBAGYKW-GFCCVEGCSA-N 1 0 302.465 1.985 50 0 DDAARO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000042229470 183245086 /nfs/dbraw/zinc/24/50/86/183245086.db2.gz SQMHWLORVYHWHH-GFCCVEGCSA-N 1 0 300.341 1.781 50 0 DDAARO CN(C)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000044951581 183465966 /nfs/dbraw/zinc/46/59/66/183465966.db2.gz CAYXAZXXFRIWHQ-CQSZACIVSA-N 1 0 321.425 1.116 50 0 DDAARO CCN(CC(=O)NC(N)=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106160296 194188713 /nfs/dbraw/zinc/18/87/13/194188713.db2.gz GVLLYUCTJXZRLB-UKRRQHHQSA-N 1 0 318.421 1.339 50 0 DDAARO Cc1cc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)on1 ZINC000056494717 184013919 /nfs/dbraw/zinc/01/39/19/184013919.db2.gz HHZDEBBJBIYFDF-UHFFFAOYSA-N 1 0 306.410 1.872 50 0 DDAARO NC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057136901 184027967 /nfs/dbraw/zinc/02/79/67/184027967.db2.gz MCJGLAKBYQBTTL-INIZCTEOSA-N 1 0 315.417 1.375 50 0 DDAARO Cc1cccc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000058291089 184100752 /nfs/dbraw/zinc/10/07/52/184100752.db2.gz VJLCHCZCKIZNRQ-UHFFFAOYSA-N 1 0 318.465 1.822 50 0 DDAARO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccc(F)cc1 ZINC000058299041 184102495 /nfs/dbraw/zinc/10/24/95/184102495.db2.gz XYALLSVIVFXJGG-CABCVRRESA-N 1 0 318.396 1.505 50 0 DDAARO CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058394261 184112792 /nfs/dbraw/zinc/11/27/92/184112792.db2.gz QBCJFUXOENESQA-KGLIPLIRSA-N 1 0 304.390 1.678 50 0 DDAARO OCC[NH+]1CCN(CCOc2cccc3ccccc32)CC1 ZINC000064949662 184306950 /nfs/dbraw/zinc/30/69/50/184306950.db2.gz MQCMNIPFLGHWRF-UHFFFAOYSA-N 1 0 300.402 1.829 50 0 DDAARO COc1ncccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065414311 184340454 /nfs/dbraw/zinc/34/04/54/184340454.db2.gz GSWLEMOWGIRZPT-OAHLLOKOSA-N 1 0 318.421 1.860 50 0 DDAARO C[C@H](Cn1cncn1)[NH2+]CC1(N2CCOCC2)CCCCCC1 ZINC000065460058 184348567 /nfs/dbraw/zinc/34/85/67/184348567.db2.gz JOUDLXFFYBPQQW-MRXNPFEDSA-N 1 0 321.469 1.681 50 0 DDAARO COc1cc(Cl)cc(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)c1 ZINC000065491161 184353490 /nfs/dbraw/zinc/35/34/90/184353490.db2.gz CYYAVCOZNHFWJD-OLZOCXBDSA-N 1 0 312.797 1.486 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000065404048 184337412 /nfs/dbraw/zinc/33/74/12/184337412.db2.gz XHODOFXVAGZJSS-CYBMUJFWSA-N 1 0 319.405 1.116 50 0 DDAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000065611164 184373385 /nfs/dbraw/zinc/37/33/85/184373385.db2.gz PDVJBYFBSLJMSL-IRXDYDNUSA-N 1 0 301.434 1.462 50 0 DDAARO CS[C@H](C)CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000119989748 195076801 /nfs/dbraw/zinc/07/68/01/195076801.db2.gz RWEOQSGNIFFYBM-CQSZACIVSA-N 1 0 313.511 1.614 50 0 DDAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000156101201 197087269 /nfs/dbraw/zinc/08/72/69/197087269.db2.gz OPUMSCQCLXSRRJ-VIFPVBQESA-N 1 0 324.324 1.697 50 0 DDAARO COc1ncc(C(=O)N(C)CCC[NH+]2CCCCCC2)cn1 ZINC000426730378 533197254 /nfs/dbraw/zinc/19/72/54/533197254.db2.gz HUZVHPHCGNELGP-UHFFFAOYSA-N 1 0 306.410 1.823 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000058997282 285287589 /nfs/dbraw/zinc/28/75/89/285287589.db2.gz WPXFCXMOYKZDTN-ZFWWWQNUSA-N 1 0 307.438 1.378 50 0 DDAARO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](C2CCCCC2)C1 ZINC000349858885 257236427 /nfs/dbraw/zinc/23/64/27/257236427.db2.gz SHXLQFXJDSITTB-IRXDYDNUSA-N 1 0 321.465 1.184 50 0 DDAARO O=C(NCc1cccc(Cl)c1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000568287513 304284326 /nfs/dbraw/zinc/28/43/26/304284326.db2.gz BKCWIIKFAUBZLA-JTQLQIEISA-N 1 0 318.204 1.781 50 0 DDAARO CS(=O)(=O)NCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129214626 286614078 /nfs/dbraw/zinc/61/40/78/286614078.db2.gz CUEJPTNVWQEOHS-UWVGGRQHSA-N 1 0 302.362 1.636 50 0 DDAARO CC1(C)CN(C(=O)c2ccccc2S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261668665 407571207 /nfs/dbraw/zinc/57/12/07/407571207.db2.gz ACJXVKZLMQBELA-CYBMUJFWSA-N 1 0 310.419 1.290 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000000211524 406630763 /nfs/dbraw/zinc/63/07/63/406630763.db2.gz RUPZNUPURJUXKG-NSHDSACASA-N 1 0 300.362 1.137 50 0 DDAARO CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=[NH+]CCN1 ZINC000002581459 406689414 /nfs/dbraw/zinc/68/94/14/406689414.db2.gz OQFCXJDXHCDLHX-LLVKDONJSA-N 1 0 309.391 1.185 50 0 in-vitro DDAARO COc1ccc(C[NH2+]CCc2ccccc2)cc1OCC(N)=O ZINC000002863732 406705504 /nfs/dbraw/zinc/70/55/04/406705504.db2.gz OUZGIOCIMGNKLC-UHFFFAOYSA-N 1 0 314.385 1.892 50 0 DDAARO CC[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 ZINC000068427516 406639748 /nfs/dbraw/zinc/63/97/48/406639748.db2.gz ICJJGNLDZGNZSD-UHFFFAOYSA-N 1 0 317.393 1.371 50 0 DDAARO [NH3+]C1CCC(OC(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000000332312 406640077 /nfs/dbraw/zinc/64/00/77/406640077.db2.gz SAFZOYARXQQZAW-UHFFFAOYSA-N 1 0 306.362 1.726 50 0 DDAARO COCCNC(=O)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000002828203 406702649 /nfs/dbraw/zinc/70/26/49/406702649.db2.gz CIFREJVZCRVVER-UHFFFAOYSA-N 1 0 306.406 1.670 50 0 DDAARO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000069588566 406739389 /nfs/dbraw/zinc/73/93/89/406739389.db2.gz NVWSIQQROLTVHR-MRXNPFEDSA-N 1 0 317.433 1.668 50 0 DDAARO C[NH+]1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1 ZINC000006752065 406739757 /nfs/dbraw/zinc/73/97/57/406739757.db2.gz OSPJDJMBSYTAAA-UHFFFAOYSA-N 1 0 302.769 1.683 50 0 DDAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccco1 ZINC000069628292 406746294 /nfs/dbraw/zinc/74/62/94/406746294.db2.gz ZJXGZKOLSAESPG-KBPBESRZSA-N 1 0 317.393 1.461 50 0 DDAARO Cn1c(CN2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)nnc1C1CC1 ZINC000069624375 406746771 /nfs/dbraw/zinc/74/67/71/406746771.db2.gz KLHVHEKSOGBWRO-CQSZACIVSA-N 1 0 321.469 1.217 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000069652367 406749270 /nfs/dbraw/zinc/74/92/70/406749270.db2.gz BLTODHFLNNVYSP-OAHLLOKOSA-N 1 0 320.437 1.045 50 0 DDAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCN3CCCC3=O)C2)n1 ZINC000069699313 406757438 /nfs/dbraw/zinc/75/74/38/406757438.db2.gz ZPPZWPLYOHTLIQ-INIZCTEOSA-N 1 0 319.453 1.619 50 0 DDAARO c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)nc1)CN2 ZINC000069443022 406710779 /nfs/dbraw/zinc/71/07/79/406710779.db2.gz WLPNADRYLHMIFW-AWEZNQCLSA-N 1 0 309.377 1.295 50 0 DDAARO C[C@H](c1nc(C2CC2)no1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069949020 406794567 /nfs/dbraw/zinc/79/45/67/406794567.db2.gz LWUBVCNHRDXEFD-GFCCVEGCSA-N 1 0 308.426 1.644 50 0 DDAARO C[C@H]1NC(=S)N(c2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000008709630 406792039 /nfs/dbraw/zinc/79/20/39/406792039.db2.gz QMNHVMMLLXHMRE-LLVKDONJSA-N 1 0 304.419 1.048 50 0 DDAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069949923 406793675 /nfs/dbraw/zinc/79/36/75/406793675.db2.gz YKAGEHJEECGGRX-HUUCEWRRSA-N 1 0 321.446 1.987 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000069967271 406796020 /nfs/dbraw/zinc/79/60/20/406796020.db2.gz FHHLZSMITZBVAP-OAHLLOKOSA-N 1 0 306.406 1.658 50 0 DDAARO CC[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011816702 406830560 /nfs/dbraw/zinc/83/05/60/406830560.db2.gz JDUPHHOTUSGKMA-INIZCTEOSA-N 1 0 312.360 1.770 50 0 DDAARO OC1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@H]2O)CC1 ZINC000011841011 406831942 /nfs/dbraw/zinc/83/19/42/406831942.db2.gz CHOHBMIYAIQCEZ-IAGOWNOFSA-N 1 0 324.852 1.732 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(c3ncnc4c3cnn4C)CC2)CCO1 ZINC000071821712 406846143 /nfs/dbraw/zinc/84/61/43/406846143.db2.gz SLDIQQLOKDWIRN-LBPRGKRZSA-N 1 0 316.409 1.053 50 0 DDAARO Cc1ccsc1C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C(C)C ZINC000071824965 406847049 /nfs/dbraw/zinc/84/70/49/406847049.db2.gz SSYKPGDZYWLMBD-UHFFFAOYSA-N 1 0 321.446 1.865 50 0 DDAARO Cc1ccc2ncn(C[C@H](O)C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000071825111 406847688 /nfs/dbraw/zinc/84/76/88/406847688.db2.gz TWJOOBZJPHKOLS-OAHLLOKOSA-N 1 0 315.417 1.798 50 0 DDAARO Cn1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1=O ZINC000071830492 406848459 /nfs/dbraw/zinc/84/84/59/406848459.db2.gz GHEGUCGAVNJHPQ-UHFFFAOYSA-N 1 0 304.419 1.554 50 0 DDAARO Cc1nn(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)c1Cl ZINC000071839728 406851745 /nfs/dbraw/zinc/85/17/45/406851745.db2.gz FPTXTAQERPEVKU-ZDUSSCGKSA-N 1 0 310.829 1.850 50 0 DDAARO CCOc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000071867467 406856966 /nfs/dbraw/zinc/85/69/66/406856966.db2.gz XCCTWTZSNYWJPO-CQSZACIVSA-N 1 0 305.422 1.451 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccnc3)no2)C[C@@H]1C ZINC000071877526 406859248 /nfs/dbraw/zinc/85/92/48/406859248.db2.gz FHRSGEPCHWFKKZ-QWHCGFSZSA-N 1 0 317.393 1.019 50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000071880814 406861445 /nfs/dbraw/zinc/86/14/45/406861445.db2.gz YGNHOHQTKMRCHP-ZDUSSCGKSA-N 1 0 308.378 1.234 50 0 DDAARO CCn1c(C)ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1=O ZINC000072169189 406874630 /nfs/dbraw/zinc/87/46/30/406874630.db2.gz YFSHJFYQNCNUQB-CQSZACIVSA-N 1 0 305.422 1.733 50 0 DDAARO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3cnc(C)cn3)C2)no1 ZINC000072234584 406874845 /nfs/dbraw/zinc/87/48/45/406874845.db2.gz QPLSHEPQGAJCOG-HNNXBMFYSA-N 1 0 316.409 1.573 50 0 DDAARO Cc1nn(C)c2nc(C)nc(NC[C@H]3CCC[N@H+](CCO)C3)c12 ZINC000072435221 406882797 /nfs/dbraw/zinc/88/27/97/406882797.db2.gz QQNZLWVWIBYSDM-CYBMUJFWSA-N 1 0 318.425 1.096 50 0 DDAARO Cn1cc(CC[N@@H+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)cn1 ZINC000072795616 406885310 /nfs/dbraw/zinc/88/53/10/406885310.db2.gz LDRQXIYHBLWBEQ-LBPRGKRZSA-N 1 0 318.343 1.353 50 0 DDAARO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1nncs1 ZINC000072716352 406885925 /nfs/dbraw/zinc/88/59/25/406885925.db2.gz GDELNUVZHYTUEI-GFCCVEGCSA-N 1 0 310.423 1.900 50 0 DDAARO O[C@@H](COCc1ccco1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000025514127 406898189 /nfs/dbraw/zinc/89/81/89/406898189.db2.gz QEKKCGAUPPNWGZ-QGZVFWFLSA-N 1 0 316.401 1.979 50 0 DDAARO CC(C)[C@H](CNC(=O)NCc1cccnc1)[NH+]1CCN(C)CC1 ZINC000071798622 406843465 /nfs/dbraw/zinc/84/34/65/406843465.db2.gz FWLVZKDFTLIWLL-INIZCTEOSA-N 1 0 319.453 1.153 50 0 DDAARO COCCOCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000075105954 406921449 /nfs/dbraw/zinc/92/14/49/406921449.db2.gz PHHPLRFKSMFEAF-UHFFFAOYSA-N 1 0 319.405 1.630 50 0 DDAARO CC[C@H]([NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1)C(N)=O ZINC000075603915 406937481 /nfs/dbraw/zinc/93/74/81/406937481.db2.gz CYVDDQMRHOZYMB-STQMWFEESA-N 1 0 311.451 1.283 50 0 DDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000032066007 406945114 /nfs/dbraw/zinc/94/51/14/406945114.db2.gz CVUVGRNGRRHUTH-KRWDZBQOSA-N 1 0 317.433 1.099 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000032267749 406946721 /nfs/dbraw/zinc/94/67/21/406946721.db2.gz KCGVSDOJJZSJRK-AWEZNQCLSA-N 1 0 320.389 1.502 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COCc1cccc(OC)c1 ZINC000036397724 406980283 /nfs/dbraw/zinc/98/02/83/406980283.db2.gz YMACHGYQEOYGSU-OAHLLOKOSA-N 1 0 306.406 1.812 50 0 DDAARO O=C(CN1CCSC1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044869655 407031240 /nfs/dbraw/zinc/03/12/40/407031240.db2.gz NYDZSSZHFFXROW-AWEZNQCLSA-N 1 0 319.430 1.546 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCC(=O)N2 ZINC000044941785 407035074 /nfs/dbraw/zinc/03/50/74/407035074.db2.gz ABTZASFDIPRJQY-GXTWGEPZSA-N 1 0 315.373 1.374 50 0 DDAARO COC(=O)CCCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000077420488 406989946 /nfs/dbraw/zinc/98/99/46/406989946.db2.gz XVDZNDIDAXQXKV-INIZCTEOSA-N 1 0 318.417 1.845 50 0 DDAARO CO[C@@H](C)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000077441800 406991069 /nfs/dbraw/zinc/99/10/69/406991069.db2.gz GIJWEXYUNJAFKF-BBRMVZONSA-N 1 0 320.437 1.761 50 0 DDAARO C[C@H](C1CCN(Cc2nccn2C)CC1)[NH+]1CCN(C)CC1 ZINC000077537420 406995171 /nfs/dbraw/zinc/99/51/71/406995171.db2.gz BWJAQLHPLSRKAI-OAHLLOKOSA-N 1 0 305.470 1.268 50 0 DDAARO CCc1nc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cs1 ZINC000049021216 407112529 /nfs/dbraw/zinc/11/25/29/407112529.db2.gz RSHLEVSGWCKIBN-UHFFFAOYSA-N 1 0 303.453 1.219 50 0 DDAARO Cc1csc(=O)n1CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000046860320 407065479 /nfs/dbraw/zinc/06/54/79/407065479.db2.gz WULRHZLYLLUMBZ-GFCCVEGCSA-N 1 0 311.451 1.599 50 0 DDAARO CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000047980326 407085325 /nfs/dbraw/zinc/08/53/25/407085325.db2.gz BVYGJNUZEYRDLJ-UHFFFAOYSA-N 1 0 324.469 1.417 50 0 DDAARO CCOc1ccc(C(=O)NCC2CC[NH+](CCOC)CC2)cn1 ZINC000089269760 407128500 /nfs/dbraw/zinc/12/85/00/407128500.db2.gz AZEQIBNEPBBNJD-UHFFFAOYSA-N 1 0 321.421 1.569 50 0 DDAARO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccccn2)n1 ZINC000089319386 407130412 /nfs/dbraw/zinc/13/04/12/407130412.db2.gz PCYRHNILNBICTL-UHFFFAOYSA-N 1 0 302.382 1.204 50 0 DDAARO Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000089651161 407143584 /nfs/dbraw/zinc/14/35/84/407143584.db2.gz LWPDGAGGOKFPQE-GXTWGEPZSA-N 1 0 312.410 1.991 50 0 DDAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000089718304 407145565 /nfs/dbraw/zinc/14/55/65/407145565.db2.gz YUUAYZISOHOXFS-OAHLLOKOSA-N 1 0 306.410 1.991 50 0 DDAARO OCCC1([NH2+]Cc2cnn(Cc3ccccc3)c2)CCOCC1 ZINC000089841033 407153585 /nfs/dbraw/zinc/15/35/85/407153585.db2.gz VNLUKAMXPGYEID-UHFFFAOYSA-N 1 0 315.417 1.953 50 0 DDAARO CC(C)C[NH+]1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000053756605 407173958 /nfs/dbraw/zinc/17/39/58/407173958.db2.gz NEZFYGUOMSVZKY-UHFFFAOYSA-N 1 0 314.393 1.076 50 0 DDAARO CC(=O)Nc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1F ZINC000054098596 407177695 /nfs/dbraw/zinc/17/76/95/407177695.db2.gz JOHFEJKCVSYUDG-UHFFFAOYSA-N 1 0 319.380 1.952 50 0 DDAARO CC(=O)NCCNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000055568715 407205521 /nfs/dbraw/zinc/20/55/21/407205521.db2.gz ZUWVSJKBFDZVSN-LBPRGKRZSA-N 1 0 307.394 1.692 50 0 DDAARO Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)cc(=O)[nH]1 ZINC000095361911 407209384 /nfs/dbraw/zinc/20/93/84/407209384.db2.gz MKIINQZOQBAGCV-ZDUSSCGKSA-N 1 0 318.421 1.349 50 0 DDAARO O=C(NCc1cc(=O)[nH]cn1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095378947 407210565 /nfs/dbraw/zinc/21/05/65/407210565.db2.gz GBTBEILFSLYAQH-CQSZACIVSA-N 1 0 312.373 1.167 50 0 DDAARO CC(C)c1cc(N2CCC[C@H](CS(C)(=O)=O)C2)nc(N)[nH+]1 ZINC000095376120 407210865 /nfs/dbraw/zinc/21/08/65/407210865.db2.gz AJXNNMIFZQUMPT-NSHDSACASA-N 1 0 312.439 1.443 50 0 DDAARO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000095940841 407215251 /nfs/dbraw/zinc/21/52/51/407215251.db2.gz VYFHIJYXFKCSGJ-BPLDGKMQSA-N 1 0 306.454 1.869 50 0 DDAARO Cc1cc(O)ccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095976477 407219171 /nfs/dbraw/zinc/21/91/71/407219171.db2.gz PQYJNPPLJZMQQC-CQSZACIVSA-N 1 0 304.390 1.495 50 0 DDAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000095984214 407221137 /nfs/dbraw/zinc/22/11/37/407221137.db2.gz OIDGVZZYOHGFIF-KGLIPLIRSA-N 1 0 324.446 1.197 50 0 DDAARO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)N1CCNC1=O ZINC000058343560 407221360 /nfs/dbraw/zinc/22/13/60/407221360.db2.gz ZKIUZAMJNOYYBY-OAHLLOKOSA-N 1 0 301.390 1.635 50 0 DDAARO COc1cn(CC(=O)NC2CC2)c(C[NH+]2CCCCC2)cc1=O ZINC000096117904 407238873 /nfs/dbraw/zinc/23/88/73/407238873.db2.gz LXYYZAWPNZHBOP-UHFFFAOYSA-N 1 0 319.405 1.121 50 0 DDAARO C[C@]1(O)CC[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@@H]1O ZINC000096161864 407242806 /nfs/dbraw/zinc/24/28/06/407242806.db2.gz RTKGPKHZWRVVFO-IRXDYDNUSA-N 1 0 301.390 1.249 50 0 DDAARO Cc1cc(N2CCC[C@@H](Cn3ccnc3)C2)nc(N(C)C)[nH+]1 ZINC000065374325 407243574 /nfs/dbraw/zinc/24/35/74/407243574.db2.gz DEFHNUSQYDLWHA-AWEZNQCLSA-N 1 0 300.410 1.964 50 0 DDAARO COc1c(C[NH2+][C@@H]2CCc3nccn3C2)c(C(C)C)nn1C ZINC000065523291 407244465 /nfs/dbraw/zinc/24/44/65/407244465.db2.gz ANILOMQDWLJQGP-GFCCVEGCSA-N 1 0 303.410 1.853 50 0 DDAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccn1 ZINC000123348353 407326011 /nfs/dbraw/zinc/32/60/11/407326011.db2.gz UTFMIKQIBPFWOG-QWHCGFSZSA-N 1 0 316.357 1.901 50 0 DDAARO O=S(=O)(C1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096428574 407265010 /nfs/dbraw/zinc/26/50/10/407265010.db2.gz PMRFKBDAXNLJIG-AWEZNQCLSA-N 1 0 316.467 1.303 50 0 DDAARO C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096473719 407270620 /nfs/dbraw/zinc/27/06/20/407270620.db2.gz JQAYECQSDBPQJC-ZDUSSCGKSA-N 1 0 312.377 1.021 50 0 DDAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000096477990 407270792 /nfs/dbraw/zinc/27/07/92/407270792.db2.gz FPXUFLAXFUUXAZ-QWRGUYRKSA-N 1 0 302.465 1.997 50 0 DDAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)c1 ZINC000067458197 407273808 /nfs/dbraw/zinc/27/38/08/407273808.db2.gz DRZDQROLRIDBGK-AWEZNQCLSA-N 1 0 303.406 1.117 50 0 DDAARO Cc1cc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)nc(C)n1 ZINC000097034107 407276064 /nfs/dbraw/zinc/27/60/64/407276064.db2.gz LCNKWSNNNBUYSI-IEBWSBKVSA-N 1 0 324.428 1.874 50 0 DDAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)CC(C)C)[nH+]1 ZINC000067603648 407277612 /nfs/dbraw/zinc/27/76/12/407277612.db2.gz PPLJIDGMGLUUML-UHFFFAOYSA-N 1 0 305.426 1.959 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)nn(CC)c1C ZINC000067690648 407280840 /nfs/dbraw/zinc/28/08/40/407280840.db2.gz KFWKZEUPIUBOAK-HOCLYGCPSA-N 1 0 321.469 1.290 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000067718543 407281814 /nfs/dbraw/zinc/28/18/14/407281814.db2.gz RTPMJNDONMULSA-DLBZAZTESA-N 1 0 301.390 1.240 50 0 DDAARO COC(=O)C1(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000097146456 407283467 /nfs/dbraw/zinc/28/34/67/407283467.db2.gz ANTXUCAXIMRBGB-ZDUSSCGKSA-N 1 0 308.422 1.853 50 0 DDAARO Cc1nc(CC[NH3+])cc(N(C)Cc2noc(C3CCC3)n2)n1 ZINC000067872017 407288056 /nfs/dbraw/zinc/28/80/56/407288056.db2.gz VIHZTKHJSKJQLS-UHFFFAOYSA-N 1 0 302.382 1.573 50 0 DDAARO C[NH+]1CCC(n2nc([C@@H]3CCOC3)nc2CNC2CC2)CC1 ZINC000097244176 407289505 /nfs/dbraw/zinc/28/95/05/407289505.db2.gz UYLRMXWCZXADQS-GFCCVEGCSA-N 1 0 305.426 1.301 50 0 DDAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(N)cc2)C1 ZINC000097375544 407292432 /nfs/dbraw/zinc/29/24/32/407292432.db2.gz DQGIGTBBGOSZKP-CYBMUJFWSA-N 1 0 311.451 1.669 50 0 DDAARO CN1N=C(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC1=O ZINC000097527650 407298977 /nfs/dbraw/zinc/29/89/77/407298977.db2.gz HEZKQBASMUVRPU-CQSZACIVSA-N 1 0 320.368 1.153 50 0 DDAARO CCc1c2ccccc2[nH]c1C(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000097696254 407301759 /nfs/dbraw/zinc/30/17/59/407301759.db2.gz ULPBASVFOJHALG-UHFFFAOYSA-N 1 0 323.400 1.960 50 0 DDAARO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000107075176 407369815 /nfs/dbraw/zinc/36/98/15/407369815.db2.gz LRIXQSYFHHEDHC-UMVBOHGHSA-N 1 0 307.438 1.375 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000125402013 407387132 /nfs/dbraw/zinc/38/71/32/407387132.db2.gz UWOWIKKNRZRMHP-RDJZCZTQSA-N 1 0 317.433 1.098 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000125771215 407397173 /nfs/dbraw/zinc/39/71/73/407397173.db2.gz YDKJCQVEBPLYBG-NSHDSACASA-N 1 0 304.781 1.960 50 0 DDAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000195577397 407468060 /nfs/dbraw/zinc/46/80/60/407468060.db2.gz QMTZQQPSNVDVJM-CHWSQXEVSA-N 1 0 311.451 1.238 50 0 DDAARO CC[N@H+]1CCc2nnc([C@@H]3CCN(C(=O)C(C)C)C3)n2CC1 ZINC000257187495 407482654 /nfs/dbraw/zinc/48/26/54/407482654.db2.gz BKTMHMHYCUCPPT-CYBMUJFWSA-N 1 0 305.426 1.128 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000215656846 407487559 /nfs/dbraw/zinc/48/75/59/407487559.db2.gz OUGHFPASNGGYDO-GFCCVEGCSA-N 1 0 320.286 1.839 50 0 DDAARO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](C(=O)N(C)C)C1 ZINC000257195869 407491753 /nfs/dbraw/zinc/49/17/53/407491753.db2.gz XAEROBQVPHHJJA-JKSUJKDBSA-N 1 0 320.433 1.602 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000178594814 407504059 /nfs/dbraw/zinc/50/40/59/407504059.db2.gz YSWLSWAFYROLIR-LBPRGKRZSA-N 1 0 303.366 1.208 50 0 DDAARO c1nc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)sc1C1OCCO1 ZINC000253428084 407448585 /nfs/dbraw/zinc/44/85/85/407448585.db2.gz IDCXUFHAPMQDNG-NSHDSACASA-N 1 0 309.435 1.762 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2CCC[C@H]2Cn2cccn2)CC1 ZINC000253478290 407450399 /nfs/dbraw/zinc/45/03/99/407450399.db2.gz KFHDYWIXQGXDGE-IRXDYDNUSA-N 1 0 306.454 1.440 50 0 DDAARO C[C@@H]1CCO[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000253433363 407451138 /nfs/dbraw/zinc/45/11/38/407451138.db2.gz VZQBHIISKMMOQZ-CVEARBPZSA-N 1 0 323.481 1.478 50 0 DDAARO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(n2cncn2)CC1 ZINC000170611923 407454945 /nfs/dbraw/zinc/45/49/45/407454945.db2.gz MKNAJJPGZTZEOB-INIZCTEOSA-N 1 0 311.389 1.869 50 0 DDAARO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)C3CC3)cc2)CC1 ZINC000225453956 407585967 /nfs/dbraw/zinc/58/59/67/407585967.db2.gz DLSWBXCCFBYGCC-UHFFFAOYSA-N 1 0 324.446 1.741 50 0 DDAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)CC[NH+]2CCN(C)CC2)c1 ZINC000219267814 407527298 /nfs/dbraw/zinc/52/72/98/407527298.db2.gz ZKDSUZWOIYIZJT-MRXNPFEDSA-N 1 0 318.465 1.417 50 0 DDAARO C[C@H](CCC(=O)NCCc1cccnc1)[NH+]1CCN(C)CC1 ZINC000220098489 407538758 /nfs/dbraw/zinc/53/87/58/407538758.db2.gz XZFGHAXVCHQVHQ-OAHLLOKOSA-N 1 0 304.438 1.156 50 0 DDAARO CC(C)COCC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000225720371 407599250 /nfs/dbraw/zinc/59/92/50/407599250.db2.gz KFKXPNBKYVRINM-AWEZNQCLSA-N 1 0 300.468 1.699 50 0 DDAARO CCOc1ncccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229173615 407656720 /nfs/dbraw/zinc/65/67/20/407656720.db2.gz PWSUSBJBSHJKAR-CABCVRRESA-N 1 0 318.421 1.906 50 0 DDAARO O=C1c2ccccc2C(=O)N1CCN1CCO[C@H]2CCCC[C@H]21 ZINC000230117051 407680833 /nfs/dbraw/zinc/68/08/33/407680833.db2.gz UAIFKPMDJQDARL-CVEARBPZSA-N 1 0 314.385 1.926 50 0 DDAARO C[C@H](C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)CS(C)(=O)=O ZINC000230190004 407681577 /nfs/dbraw/zinc/68/15/77/407681577.db2.gz PZXHLCQQIUCWRW-KGLIPLIRSA-N 1 0 313.467 1.355 50 0 DDAARO C[C@@H]1CN(C(=O)c2ncccc2OCc2ccncc2)CC[NH2+]1 ZINC000179181736 407746741 /nfs/dbraw/zinc/74/67/41/407746741.db2.gz BOZJGPNOPHEAAH-CYBMUJFWSA-N 1 0 312.373 1.490 50 0 DDAARO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)C[NH3+])C2)n1 ZINC000262375996 407816726 /nfs/dbraw/zinc/81/67/26/407816726.db2.gz MIQKWJJFIHAMLF-YPMHNXCESA-N 1 0 304.394 1.162 50 0 DDAARO O=C(CC[N@H+]1CCC[C@H](CO)C1)Nc1nnc(C2CC2)s1 ZINC000243902035 407921722 /nfs/dbraw/zinc/92/17/22/407921722.db2.gz BFHGSFSWBIDMIF-JTQLQIEISA-N 1 0 310.423 1.448 50 0 DDAARO CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(C)COC1 ZINC000244601990 407928456 /nfs/dbraw/zinc/92/84/56/407928456.db2.gz DVTPGRFZASUEOK-TXEJJXNPSA-N 1 0 305.426 1.286 50 0 DDAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000244734429 407935275 /nfs/dbraw/zinc/93/52/75/407935275.db2.gz NFGALHWKAAHCPG-AWEZNQCLSA-N 1 0 300.406 1.888 50 0 DDAARO Cc1ncn(CC(=O)N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000244734670 407936128 /nfs/dbraw/zinc/93/61/28/407936128.db2.gz 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ULMPFAQSMYEJQT-YVECIDJPSA-N 1 0 307.419 1.433 50 0 DDAARO COc1cc(SC)c(OC)cc1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC000082120753 192359527 /nfs/dbraw/zinc/35/95/27/192359527.db2.gz ZNJKDHIMNRQWCF-VXGBXAGGSA-N 1 0 312.435 1.320 50 0 DDAARO CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1OC ZINC000095405140 185355636 /nfs/dbraw/zinc/35/56/36/185355636.db2.gz ZQNYEKBJFRCSJE-HOCLYGCPSA-N 1 0 320.437 1.271 50 0 DDAARO C[N@H+](CCNC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1 ZINC000095444958 185367262 /nfs/dbraw/zinc/36/72/62/185367262.db2.gz RKJQLFGGDMVEKU-KRWDZBQOSA-N 1 0 317.433 1.939 50 0 DDAARO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1=CCCC1 ZINC000095446274 185367530 /nfs/dbraw/zinc/36/75/30/185367530.db2.gz PPKLDEKUNASVJZ-SJORKVTESA-N 1 0 300.402 1.848 50 0 DDAARO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000097162189 185417803 /nfs/dbraw/zinc/41/78/03/185417803.db2.gz RDGNSARUJFVBJD-INIZCTEOSA-N 1 0 317.433 1.492 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](O)c1cccc(F)c1)CN2 ZINC000058342003 190691503 /nfs/dbraw/zinc/69/15/03/190691503.db2.gz PESZGRSWFBUAAL-WFASDCNBSA-N 1 0 304.369 1.696 50 0 DDAARO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000069811220 190822092 /nfs/dbraw/zinc/82/20/92/190822092.db2.gz VGWZOBKAONDZRL-ZDUSSCGKSA-N 1 0 312.435 1.800 50 0 DDAARO COc1ccccc1CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000083847926 192386336 /nfs/dbraw/zinc/38/63/36/192386336.db2.gz UIFGJGPLXICUHZ-OAHLLOKOSA-N 1 0 305.422 1.973 50 0 DDAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC000071759602 191026307 /nfs/dbraw/zinc/02/63/07/191026307.db2.gz QOEUOAGLVOQKME-LLVKDONJSA-N 1 0 303.366 1.463 50 0 DDAARO O=C(NC1CC1)[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCN1 ZINC000071753285 191023487 /nfs/dbraw/zinc/02/34/87/191023487.db2.gz QQYPEEJEMLYHOS-QGZVFWFLSA-N 1 0 310.401 1.287 50 0 DDAARO CCNC(=O)[C@@H](C)[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000138730444 186018107 /nfs/dbraw/zinc/01/81/07/186018107.db2.gz FKOWMOHLMJVWNZ-GFCCVEGCSA-N 1 0 306.406 1.629 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc(F)cc2c1NC(=O)CC2 ZINC000072166616 191066046 /nfs/dbraw/zinc/06/60/46/191066046.db2.gz PZAFTIFMCXWYSG-LLVKDONJSA-N 1 0 307.325 1.027 50 0 DDAARO c1cc2cc(CN3CCO[C@@]4(C3)C[NH2+]CCOC4)ccc2o1 ZINC000072167816 191066161 /nfs/dbraw/zinc/06/61/61/191066161.db2.gz WOKIRYSIWWESQX-QGZVFWFLSA-N 1 0 302.374 1.624 50 0 DDAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)NCc1ccccc1Cl ZINC000072267808 191091419 /nfs/dbraw/zinc/09/14/19/191091419.db2.gz JIHSQFLZULIKNG-GFCCVEGCSA-N 1 0 306.797 1.831 50 0 DDAARO CC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000072276021 191096622 /nfs/dbraw/zinc/09/66/22/191096622.db2.gz JETRRIUEGCGDLG-AWEZNQCLSA-N 1 0 305.426 1.334 50 0 DDAARO O=S(=O)(c1ccc(F)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277716 191099224 /nfs/dbraw/zinc/09/92/24/191099224.db2.gz NKQJTFSPNGWJPL-LLVKDONJSA-N 1 0 318.801 1.948 50 0 DDAARO Cc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C2=O)N2CCOCC2)s1 ZINC000072286545 191105967 /nfs/dbraw/zinc/10/59/67/191105967.db2.gz TWXQPJNJNBANHX-ZIAGYGMSSA-N 1 0 323.462 1.250 50 0 DDAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC(=O)N2)cc1 ZINC000225662529 186287614 /nfs/dbraw/zinc/28/76/14/186287614.db2.gz UNVJDHFPVFNALS-MRXNPFEDSA-N 1 0 317.433 1.813 50 0 DDAARO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000237455875 186292358 /nfs/dbraw/zinc/29/23/58/186292358.db2.gz XZBJRSXNWHVSHV-SECBINFHSA-N 1 0 318.343 1.598 50 0 DDAARO O=C(NCc1ccnc(-n2ccnc2)c1)C12CCC[NH+]1CCC2 ZINC000253403973 186307366 /nfs/dbraw/zinc/30/73/66/186307366.db2.gz AKQYMMXEEDIVFE-UHFFFAOYSA-N 1 0 311.389 1.512 50 0 DDAARO c1ccc(-c2nnc(CNc3ncnc4c3CC[NH2+]CC4)[nH]2)cc1 ZINC000072428327 191161717 /nfs/dbraw/zinc/16/17/17/191161717.db2.gz SHBVSYWCZNASHW-UHFFFAOYSA-N 1 0 321.388 1.562 50 0 DDAARO Cc1nnsc1Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072476506 191178451 /nfs/dbraw/zinc/17/84/51/191178451.db2.gz CHCCJSJPVSGYDN-UHFFFAOYSA-N 1 0 301.379 1.058 50 0 DDAARO c1ccc(-c2nc3c(c(N4CC=CCC4)n2)CC[NH2+]CC3)nc1 ZINC000072481628 191180628 /nfs/dbraw/zinc/18/06/28/191180628.db2.gz CGBFZTPNVDMGHL-UHFFFAOYSA-N 1 0 307.401 1.993 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1nccn1C ZINC000076042805 353391971 /nfs/dbraw/zinc/39/19/71/353391971.db2.gz UGOIEJYFHYKSQB-BBRMVZONSA-N 1 0 303.410 1.638 50 0 DDAARO C[C@H](C1CC1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000076553141 353425886 /nfs/dbraw/zinc/42/58/86/353425886.db2.gz JTFOQRKBZCAHBR-CQSZACIVSA-N 1 0 309.454 1.626 50 0 DDAARO CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000078788722 353532250 /nfs/dbraw/zinc/53/22/50/353532250.db2.gz NNERSDHJCBFFGV-IRXDYDNUSA-N 1 0 302.418 1.920 50 0 DDAARO Cc1ccc(C)c(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000078788507 353532564 /nfs/dbraw/zinc/53/25/64/353532564.db2.gz VFOFBFKZHSSJHG-ZWKOTPCHSA-N 1 0 316.445 1.904 50 0 DDAARO O=C(NC1CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000078954176 353543168 /nfs/dbraw/zinc/54/31/68/353543168.db2.gz NTIDTMHPTVNLMQ-GDBMZVCRSA-N 1 0 303.406 1.331 50 0 DDAARO COc1ccccc1NC(=O)CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000080746516 353625985 /nfs/dbraw/zinc/62/59/85/353625985.db2.gz CQZDEVKKBROKAO-UONOGXRCSA-N 1 0 303.406 1.802 50 0 DDAARO CC(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000084714972 353726515 /nfs/dbraw/zinc/72/65/15/353726515.db2.gz QCFJMSHAUBIYRE-JSGCOSHPSA-N 1 0 300.406 1.920 50 0 DDAARO C[NH+](C)C[C@H]1CN(C(=O)c2ccncc2)CC12CCOCC2 ZINC000097942753 353921075 /nfs/dbraw/zinc/92/10/75/353921075.db2.gz PGPRZNHCDOOVSF-HNNXBMFYSA-N 1 0 303.406 1.512 50 0 DDAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000106844198 353942705 /nfs/dbraw/zinc/94/27/05/353942705.db2.gz GUCABMACNPQNMG-ZIAGYGMSSA-N 1 0 318.339 1.659 50 0 DDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000195554629 354296996 /nfs/dbraw/zinc/29/69/96/354296996.db2.gz IPDIYZKVICRARH-STQMWFEESA-N 1 0 309.797 1.857 50 0 DDAARO CC(=O)N(CC[NH+](C)C)c1nc2cc3c(cc2s1)OCO3 ZINC000004359332 181101836 /nfs/dbraw/zinc/10/18/36/181101836.db2.gz CHRAEYBZXMCHLQ-UHFFFAOYSA-N 1 0 307.375 1.940 50 0 DDAARO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)[nH]n1 ZINC000299754161 354456938 /nfs/dbraw/zinc/45/69/38/354456938.db2.gz ISLMSSGJAJEFAJ-OWCLPIDISA-N 1 0 323.437 1.454 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C)cc1 ZINC000004700132 181138926 /nfs/dbraw/zinc/13/89/26/181138926.db2.gz HSFQXMDCEHXFNL-HNNXBMFYSA-N 1 0 303.406 1.212 50 0 DDAARO Cc1cc(C(=O)N(C)CC2CC[NH+](CCO)CC2)cc(C)n1 ZINC000584888965 354791399 /nfs/dbraw/zinc/79/13/99/354791399.db2.gz ILJWEHMPWLUAGS-UHFFFAOYSA-N 1 0 305.422 1.475 50 0 DDAARO COc1ccc2[nH]c(CC[NH2+][C@H](C)CN3CCOCC3)nc2c1 ZINC000584893501 354795092 /nfs/dbraw/zinc/79/50/92/354795092.db2.gz AJGRLNYKWFFFPY-CYBMUJFWSA-N 1 0 318.421 1.424 50 0 DDAARO CN1CCN(C(=O)CCC[NH+]2CCCCCC2)C[C@@H]1CCO ZINC000584897361 354797603 /nfs/dbraw/zinc/79/76/03/354797603.db2.gz ICIZLPCWPUDLCU-INIZCTEOSA-N 1 0 311.470 1.168 50 0 DDAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCOC[C@H](O)C1 ZINC000077299001 191688046 /nfs/dbraw/zinc/68/80/46/191688046.db2.gz XEHMFSROZDUEFK-QGZVFWFLSA-N 1 0 318.417 1.062 50 0 DDAARO Cn1ccnc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081522253 192280647 /nfs/dbraw/zinc/28/06/47/192280647.db2.gz KQFHVCGRLVXFQK-UHFFFAOYSA-N 1 0 320.437 1.433 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000237207956 202188655 /nfs/dbraw/zinc/18/86/55/202188655.db2.gz QTHXAYAXWDSBRN-NSHDSACASA-N 1 0 318.389 1.893 50 0 DDAARO CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237251685 202205574 /nfs/dbraw/zinc/20/55/74/202205574.db2.gz OUHYVLFFYVDBJL-ZDUSSCGKSA-N 1 0 312.417 1.921 50 0 DDAARO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[NH2+]1 ZINC000188399192 200240154 /nfs/dbraw/zinc/24/01/54/200240154.db2.gz PUAZMAOFQBQDTF-BXUZGUMPSA-N 1 0 321.808 1.513 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000237708683 202335600 /nfs/dbraw/zinc/33/56/00/202335600.db2.gz GWAALQLWGZMNJT-QMMMGPOBSA-N 1 0 308.325 1.382 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000237907494 202388303 /nfs/dbraw/zinc/38/83/03/202388303.db2.gz XATGJDRIAORTHI-HRCADAONSA-N 1 0 310.438 1.691 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000237916713 202390500 /nfs/dbraw/zinc/39/05/00/202390500.db2.gz SJVLUZNRWOXYIM-NSHDSACASA-N 1 0 315.329 1.286 50 0 DDAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000089937647 192910660 /nfs/dbraw/zinc/91/06/60/192910660.db2.gz MCPYEIVLWDKMEW-BXUZGUMPSA-N 1 0 322.478 1.946 50 0 DDAARO CC(C)N(CC1CCC1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000193628846 201090515 /nfs/dbraw/zinc/09/05/15/201090515.db2.gz GMPPCBXCLBIZGD-OAHLLOKOSA-N 1 0 310.486 1.842 50 0 DDAARO O=C1CCC(=O)N1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000194083054 201175535 /nfs/dbraw/zinc/17/55/35/201175535.db2.gz PEKRSWZTAILADI-UHFFFAOYSA-N 1 0 301.390 1.348 50 0 DDAARO CCCc1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]n1 ZINC000091657100 193085953 /nfs/dbraw/zinc/08/59/53/193085953.db2.gz XYFOJFQWRVBLNE-UHFFFAOYSA-N 1 0 313.405 1.641 50 0 DDAARO O=C(C[NH+]1CCCC1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091665755 193088468 /nfs/dbraw/zinc/08/84/68/193088468.db2.gz KWRJJCQLUSLQPY-SFHVURJKSA-N 1 0 319.449 1.476 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@@H]3C[C@@H](CO)N(C)C3)[nH]c12 ZINC000091747124 193101327 /nfs/dbraw/zinc/10/13/27/193101327.db2.gz NISUGPVORPYSBR-CABCVRRESA-N 1 0 315.417 1.300 50 0 DDAARO Cc1n[nH]c(C)c1CCN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000091754827 193102485 /nfs/dbraw/zinc/10/24/85/193102485.db2.gz JUGMQQSGLFGZCV-UHFFFAOYSA-N 1 0 300.410 1.956 50 0 DDAARO CSCCC[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@@H](C2CC2)C1 ZINC000091781785 193106678 /nfs/dbraw/zinc/10/66/78/193106678.db2.gz ZSQAPTWJKWKUSD-CABCVRRESA-N 1 0 322.478 1.613 50 0 DDAARO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)[C@H](C)CO2)c1 ZINC000262603732 203347606 /nfs/dbraw/zinc/34/76/06/203347606.db2.gz AVOXINFMIPQAPY-PVAVHDDUSA-N 1 0 318.417 1.580 50 0 DDAARO CC[C@H](CO)[NH+]1CCN(Cc2sc(N(C)C)nc2C)CC1 ZINC000093740330 193298541 /nfs/dbraw/zinc/29/85/41/193298541.db2.gz WLDSDZSHMIIVBX-CYBMUJFWSA-N 1 0 312.483 1.406 50 0 DDAARO CC(=O)N1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000095350250 193426600 /nfs/dbraw/zinc/42/66/00/193426600.db2.gz YEVWCIZHPWESRT-INIZCTEOSA-N 1 0 303.406 1.547 50 0 DDAARO CC(=O)Nc1cccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c1 ZINC000282898431 217309682 /nfs/dbraw/zinc/30/96/82/217309682.db2.gz WSDPFWOLELSDBO-HNNXBMFYSA-N 1 0 301.390 1.936 50 0 DDAARO COc1ccccc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000019732708 182139024 /nfs/dbraw/zinc/13/90/24/182139024.db2.gz QNMOQEVKHJGXEC-UHFFFAOYSA-N 1 0 303.450 1.907 50 0 DDAARO C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO ZINC000020208892 182197358 /nfs/dbraw/zinc/19/73/58/182197358.db2.gz ITOBCSMIRNAWMP-INIZCTEOSA-N 1 0 306.454 1.956 50 0 DDAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1F ZINC000020461941 182220784 /nfs/dbraw/zinc/22/07/84/182220784.db2.gz VSUYLPJGGBDMJH-UHFFFAOYSA-N 1 0 316.398 1.599 50 0 DDAARO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000022999041 182344331 /nfs/dbraw/zinc/34/43/31/182344331.db2.gz HXIFFQRVWANEHQ-UHFFFAOYSA-N 1 0 311.332 1.361 50 0 DDAARO CC[NH+]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000022790022 182335216 /nfs/dbraw/zinc/33/52/16/182335216.db2.gz MEHOICLEXNZQFQ-UHFFFAOYSA-N 1 0 311.451 1.074 50 0 DDAARO C/C=C/c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000022851680 182338098 /nfs/dbraw/zinc/33/80/98/182338098.db2.gz NQIPUHHDQRNNNE-APHBUQMISA-N 1 0 320.433 1.715 50 0 DDAARO CC(C)N1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000040506264 183085433 /nfs/dbraw/zinc/08/54/33/183085433.db2.gz GNEONKARACHCFF-CHWSQXEVSA-N 1 0 323.462 1.724 50 0 DDAARO NC(=O)c1ccsc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000040539374 183096310 /nfs/dbraw/zinc/09/63/10/183096310.db2.gz IMVRUBDKJGLCJD-SNVBAGLBSA-N 1 0 323.418 1.286 50 0 DDAARO O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042841645 183313119 /nfs/dbraw/zinc/31/31/19/183313119.db2.gz 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/nfs/dbraw/zinc/10/59/01/184105901.db2.gz LAULRKNCCXMTPL-AWEZNQCLSA-N 1 0 313.405 1.335 50 0 DDAARO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604114 184177095 /nfs/dbraw/zinc/17/70/95/184177095.db2.gz GTXKTHPHWVHCEJ-CQSZACIVSA-N 1 0 321.465 1.768 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)NCc2ccc(C)n2C)CC1 ZINC000065427596 184343356 /nfs/dbraw/zinc/34/33/56/184343356.db2.gz ITCPUYOGRCZHSG-UHFFFAOYSA-N 1 0 308.426 1.197 50 0 DDAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000065590726 184369800 /nfs/dbraw/zinc/36/98/00/184369800.db2.gz JFRJFAAEIJJQKZ-UHFFFAOYSA-N 1 0 301.394 1.548 50 0 DDAARO COc1ccnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000302045739 533062021 /nfs/dbraw/zinc/06/20/21/533062021.db2.gz UNPLVNMJDZPZLT-UHFFFAOYSA-N 1 0 320.437 1.814 50 0 DDAARO C[C@@H]1CCCN(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000241926499 296390790 /nfs/dbraw/zinc/39/07/90/296390790.db2.gz UGPUUGDXDUADPW-QLFBSQMISA-N 1 0 302.484 1.664 50 0 DDAARO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000029165797 257269507 /nfs/dbraw/zinc/26/95/07/257269507.db2.gz VLDNTIRKUCBXFJ-AWEZNQCLSA-N 1 0 317.433 1.458 50 0 DDAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N[C@@H]1COC2(CCCC2)C1 ZINC000072408237 257270876 /nfs/dbraw/zinc/27/08/76/257270876.db2.gz AWGYUQBOASLDHS-AWEZNQCLSA-N 1 0 318.421 1.137 50 0 DDAARO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(C)C)on3)C2)CC1 ZINC000121650917 195324595 /nfs/dbraw/zinc/32/45/95/195324595.db2.gz ZZIGCEGXAQODBG-AWEZNQCLSA-N 1 0 320.437 1.650 50 0 DDAARO O=C(NCc1cccc(Cl)c1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000568287514 304284282 /nfs/dbraw/zinc/28/42/82/304284282.db2.gz BKCWIIKFAUBZLA-SNVBAGLBSA-N 1 0 318.204 1.781 50 0 DDAARO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262809173 285997390 /nfs/dbraw/zinc/99/73/90/285997390.db2.gz FUNLDHPXJNUWDB-YQQAZPJKSA-N 1 0 306.406 1.695 50 0 DDAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCCC3)ccc12 ZINC000001522265 406672867 /nfs/dbraw/zinc/67/28/67/406672867.db2.gz PRTVREQEMSZQKI-ZDUSSCGKSA-N 1 0 303.358 1.937 50 0 DDAARO C/C(=C/C(=O)NCCN1CC[NH+](C)CC1)CCc1ccccc1 ZINC000069546052 406733853 /nfs/dbraw/zinc/73/38/53/406733853.db2.gz IBFULNIWLKDXCX-MSUUIHNZSA-N 1 0 315.461 1.929 50 0 DDAARO CCC[NH+]1CCC(NC(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000069571347 406737181 /nfs/dbraw/zinc/73/71/81/406737181.db2.gz LOAUGPPRAJRQQR-UHFFFAOYSA-N 1 0 315.421 1.815 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc2c1OCO2 ZINC000069663397 406753448 /nfs/dbraw/zinc/75/34/48/406753448.db2.gz YHZSREGRTIYNOF-ZDUSSCGKSA-N 1 0 320.389 1.598 50 0 DDAARO Cc1cc(NCCCC[N@@H+]2CCC[C@@H]2CO)n2ncnc2n1 ZINC000069707368 406759494 /nfs/dbraw/zinc/75/94/94/406759494.db2.gz BXDVOCJKWVOAOR-CYBMUJFWSA-N 1 0 304.398 1.082 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)NCc1ccccc1 ZINC000069742660 406765547 /nfs/dbraw/zinc/76/55/47/406765547.db2.gz RADNCRMHJUWMLS-INIZCTEOSA-N 1 0 313.405 1.307 50 0 DDAARO COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000004215736 406724172 /nfs/dbraw/zinc/72/41/72/406724172.db2.gz RBOXVHNMENFORY-DNJOTXNNSA-N 1 0 301.386 1.725 50 0 fda DDAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C[C@H]2CN(C)CCO2)cc1C ZINC000069870105 406783250 /nfs/dbraw/zinc/78/32/50/406783250.db2.gz WPFIJCXGBFZPHF-WBVHZDCISA-N 1 0 319.449 1.401 50 0 DDAARO C[NH+](C)C[C@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000069814878 406775779 /nfs/dbraw/zinc/77/57/79/406775779.db2.gz ZZTGTGYEHMKHBK-WFASDCNBSA-N 1 0 300.349 1.261 50 0 DDAARO Cc1ccc(NC(=O)Nc2cnn(C[C@@H](O)C[NH+](C)C)c2)cc1 ZINC000069812094 406776521 /nfs/dbraw/zinc/77/65/21/406776521.db2.gz VYJUOYUHYBXWBN-HNNXBMFYSA-N 1 0 317.393 1.758 50 0 DDAARO C[C@H](O)C[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000069899248 406788928 /nfs/dbraw/zinc/78/89/28/406788928.db2.gz NDCFXXIUOROBLL-HOTGVXAUSA-N 1 0 319.449 1.252 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000070173651 406809947 /nfs/dbraw/zinc/80/99/47/406809947.db2.gz JVWIRUPHBUEESQ-IUCAKERBSA-N 1 0 322.352 1.852 50 0 DDAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000071524315 406840349 /nfs/dbraw/zinc/84/03/49/406840349.db2.gz VGTDEQPDQYAFGN-UHFFFAOYSA-N 1 0 316.405 1.752 50 0 DDAARO C[NH+](C)CCNc1nc2nonc2nc1NCc1ccccc1 ZINC000012298345 406840511 /nfs/dbraw/zinc/84/05/11/406840511.db2.gz WYDGLXVOWGPFHZ-UHFFFAOYSA-N 1 0 313.365 1.598 50 0 DDAARO O=S1(=O)CC[C@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000071825189 406847731 /nfs/dbraw/zinc/84/77/31/406847731.db2.gz QDKKBLZWHPSNBI-SNVBAGLBSA-N 1 0 313.810 1.512 50 0 DDAARO CCc1nc2n(n1)C[C@H](Nc1nc(N(C)C)cc(C)[nH+]1)CC2 ZINC000071859558 406853576 /nfs/dbraw/zinc/85/35/76/406853576.db2.gz YOQZHYWPAZUDKC-LLVKDONJSA-N 1 0 301.398 1.432 50 0 DDAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000013148896 406859782 /nfs/dbraw/zinc/85/97/82/406859782.db2.gz ASODUIFYPFQKBL-HUUCEWRRSA-N 1 0 323.389 1.094 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2)CC1 ZINC000071885849 406860770 /nfs/dbraw/zinc/86/07/70/406860770.db2.gz UXXVYUKFWMGQMM-KRWDZBQOSA-N 1 0 301.434 1.929 50 0 DDAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000071883594 406861807 /nfs/dbraw/zinc/86/18/07/406861807.db2.gz ZFROWBOILLCPGY-WFASDCNBSA-N 1 0 302.374 1.518 50 0 DDAARO O=C(COc1cccc(F)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269375 406875686 /nfs/dbraw/zinc/87/56/86/406875686.db2.gz FMAJKOKMIKIIHV-HOTGVXAUSA-N 1 0 322.380 1.262 50 0 DDAARO CCN(C(=O)C[NH2+][C@H]1CCc2nc(C)nn2C1)C1=CCCCC1 ZINC000072268025 406876288 /nfs/dbraw/zinc/87/62/88/406876288.db2.gz FPJSBHKZLUAOBC-AWEZNQCLSA-N 1 0 317.437 1.797 50 0 DDAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCC3)C2=O)c1 ZINC000014977039 406877521 /nfs/dbraw/zinc/87/75/21/406877521.db2.gz SHZKUQORMYNNPB-SFHVURJKSA-N 1 0 302.418 1.991 50 0 DDAARO COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000019795979 406886536 /nfs/dbraw/zinc/88/65/36/406886536.db2.gz YMNCVRSYJBNGLD-KURKYZTESA-N 1 0 315.369 1.794 50 0 biogenic,in-vitro DDAARO CCc1cc(N2CCN(c3ccccn3)CC2)n2ncnc2n1 ZINC000022636145 406890992 /nfs/dbraw/zinc/89/09/92/406890992.db2.gz GQMQOYRQFOUQNU-UHFFFAOYSA-N 1 0 309.377 1.408 50 0 DDAARO CSc1ncc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cn1 ZINC000036385732 406978813 /nfs/dbraw/zinc/97/88/13/406978813.db2.gz NDKXDDXJUGBJOD-CQSZACIVSA-N 1 0 310.467 1.476 50 0 DDAARO COC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000036390444 406979181 /nfs/dbraw/zinc/97/91/81/406979181.db2.gz NDUTVOKVANJISY-GHMZBOCLSA-N 1 0 308.403 1.891 50 0 DDAARO C[N@H+](CCn1cncn1)C[C@H](c1cccs1)N1CCOCC1 ZINC000075603895 406937189 /nfs/dbraw/zinc/93/71/89/406937189.db2.gz YHSNQSZCPUJESB-CQSZACIVSA-N 1 0 321.450 1.345 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COCc1cccc(OC)c1 ZINC000036397725 406980499 /nfs/dbraw/zinc/98/04/99/406980499.db2.gz YMACHGYQEOYGSU-HNNXBMFYSA-N 1 0 306.406 1.812 50 0 DDAARO CC[NH+](CC)[C@H](C)CNC(=O)c1cccnc1N1CCOCC1 ZINC000041915170 407010904 /nfs/dbraw/zinc/01/09/04/407010904.db2.gz GDJATMGADSCXES-CQSZACIVSA-N 1 0 320.437 1.378 50 0 DDAARO CC[NH+]1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000044866787 407029617 /nfs/dbraw/zinc/02/96/17/407029617.db2.gz OUXLSGPNPCRXAH-QGZVFWFLSA-N 1 0 306.450 1.989 50 0 DDAARO CCOc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000044937599 407033891 /nfs/dbraw/zinc/03/38/91/407033891.db2.gz NBMMLFKQUHCZPM-JKSUJKDBSA-N 1 0 324.446 1.990 50 0 DDAARO CCc1oc(C(=O)N2CCOC[C@@H](O)C2)cc1C[NH+](CC)CC ZINC000077323724 406984928 /nfs/dbraw/zinc/98/49/28/406984928.db2.gz JSZSIECDLLJNFJ-AWEZNQCLSA-N 1 0 324.421 1.517 50 0 DDAARO C=C1C(N2CCC([NH3+])CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000045796216 407049621 /nfs/dbraw/zinc/04/96/21/407049621.db2.gz YUIODYBCBWNTSW-UHFFFAOYSA-N 1 0 323.393 1.722 50 0 DDAARO CCCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1Cl ZINC000077437340 406991495 /nfs/dbraw/zinc/99/14/95/406991495.db2.gz OVYHRSGECVCNMS-CHWSQXEVSA-N 1 0 312.797 1.581 50 0 DDAARO O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000038478373 407000704 /nfs/dbraw/zinc/00/07/04/407000704.db2.gz UGAYGSJRKGXOEM-STQMWFEESA-N 1 0 309.207 1.984 50 0 DDAARO Cc1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(F)cc1F ZINC000084674365 407091169 /nfs/dbraw/zinc/09/11/69/407091169.db2.gz GLCLCENXNQPYGF-NSHDSACASA-N 1 0 318.389 1.845 50 0 DDAARO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)CN3CCOCC3)cc12 ZINC000048353491 407095948 /nfs/dbraw/zinc/09/59/48/407095948.db2.gz UJGIBLXEHZKGPL-LBPRGKRZSA-N 1 0 303.410 1.087 50 0 DDAARO CCN1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1=O ZINC000046144124 407055360 /nfs/dbraw/zinc/05/53/60/407055360.db2.gz PHWICLMMRSPOLR-RYUDHWBXSA-N 1 0 309.435 1.335 50 0 DDAARO COc1ccc(S(=O)(=O)NCC[NH+](C)C)c2ccccc12 ZINC000089314351 407130441 /nfs/dbraw/zinc/13/04/41/407130441.db2.gz CTNPZYAEJDRVPW-UHFFFAOYSA-N 1 0 308.403 1.688 50 0 DDAARO Cc1cn2nc(N3CCC(C[NH+]4CCOCC4)CC3)sc2n1 ZINC000052326029 407150491 /nfs/dbraw/zinc/15/04/91/407150491.db2.gz DAHVTLFOYXJFBV-UHFFFAOYSA-N 1 0 321.450 1.648 50 0 DDAARO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000089847957 407152916 /nfs/dbraw/zinc/15/29/16/407152916.db2.gz OEUFSUXWVJISDV-CQSZACIVSA-N 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Cn1cc2ncn(CCCC[NH+]3CCCCCC3)c(=O)c2n1 ZINC000072157742 191060515 /nfs/dbraw/zinc/06/05/15/191060515.db2.gz JSUPQLHWEXYSHT-UHFFFAOYSA-N 1 0 303.410 1.786 50 0 DDAARO COC(=O)c1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072161797 191062690 /nfs/dbraw/zinc/06/26/90/191062690.db2.gz WBAXPAYWDROYJD-AWEZNQCLSA-N 1 0 303.406 1.205 50 0 DDAARO COc1ccccc1N1CCC([N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000072170128 191068121 /nfs/dbraw/zinc/06/81/21/191068121.db2.gz VSQJMRQNBDVLOU-RHSMWYFYSA-N 1 0 320.433 1.339 50 0 DDAARO C[NH+](C)C[C@H]1CN(Cc2ccn(-c3ccccc3)n2)CCO1 ZINC000072267626 191090425 /nfs/dbraw/zinc/09/04/25/191090425.db2.gz SHQMPGMOONLSSM-KRWDZBQOSA-N 1 0 300.406 1.635 50 0 DDAARO Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cn1 ZINC000072276794 191098549 /nfs/dbraw/zinc/09/85/49/191098549.db2.gz SVQVOVGWCFIRRG-AWEZNQCLSA-N 1 0 306.435 1.645 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000072282375 191102460 /nfs/dbraw/zinc/10/24/60/191102460.db2.gz QMVDGLWMJYFMAC-MCIONIFRSA-N 1 0 302.440 1.054 50 0 DDAARO Cc1ncsc1CCCNc1ncnc2c1CC[NH2+]CC2 ZINC000072423742 191157868 /nfs/dbraw/zinc/15/78/68/191157868.db2.gz ISAVVIRAYYQQRY-UHFFFAOYSA-N 1 0 303.435 1.974 50 0 DDAARO Cc1c(O)cccc1C(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000072463883 191174736 /nfs/dbraw/zinc/17/47/36/191174736.db2.gz NOXVHBOQVRLETG-OAHLLOKOSA-N 1 0 320.433 1.865 50 0 DDAARO c1cn(C[C@@H]2CCCCO2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072476624 191178208 /nfs/dbraw/zinc/17/82/08/191178208.db2.gz PNJHRCGXUKODOU-AWEZNQCLSA-N 1 0 301.394 1.809 50 0 DDAARO Cc1nnnn1CCC(=O)N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072479238 191178872 /nfs/dbraw/zinc/17/88/72/191178872.db2.gz FHVBKNOBDKRQJC-ZDUSSCGKSA-N 1 0 320.441 1.095 50 0 DDAARO OCCc1ccccc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072479516 191179483 /nfs/dbraw/zinc/17/94/83/191179483.db2.gz NOHFXBGIFPRLLN-UHFFFAOYSA-N 1 0 323.400 1.764 50 0 DDAARO Cc1ncc2c(c1CNC(=O)c1ncc(F)cc1F)CC[NH2+]C2 ZINC000072477959 191179797 /nfs/dbraw/zinc/17/97/97/191179797.db2.gz INPNIKKIUFZSIV-UHFFFAOYSA-N 1 0 318.327 1.639 50 0 DDAARO c1cc(C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)ccn1 ZINC000072478240 191180165 /nfs/dbraw/zinc/18/01/65/191180165.db2.gz RTTUWKFUFKCSMA-UHFFFAOYSA-N 1 0 309.417 1.944 50 0 DDAARO Cc1cccc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000072269503 353195725 /nfs/dbraw/zinc/19/57/25/353195725.db2.gz QHRQJLNSZGMUGU-ZWKOTPCHSA-N 1 0 316.445 1.985 50 0 DDAARO CC(C)n1nccc1NC(=O)C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000075133911 353350081 /nfs/dbraw/zinc/35/00/81/353350081.db2.gz KXRZDTMIAXEUHU-CHWSQXEVSA-N 1 0 304.398 1.838 50 0 DDAARO O=C(Cc1cccc(F)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000075606118 353370873 /nfs/dbraw/zinc/37/08/73/353370873.db2.gz QTMVHWMNNYTQPI-JKSUJKDBSA-N 1 0 306.381 1.426 50 0 DDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCCC1=CCCCC1 ZINC000075603352 353370938 /nfs/dbraw/zinc/37/09/38/353370938.db2.gz FZJDCCBKAXLDMA-CQSZACIVSA-N 1 0 303.410 1.189 50 0 DDAARO O=C(NCCc1ccco1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083154719 353706115 /nfs/dbraw/zinc/70/61/15/353706115.db2.gz PZQPWCOWNSAGFA-UHFFFAOYSA-N 1 0 307.394 1.328 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCn1cccc1 ZINC000084458247 353722895 /nfs/dbraw/zinc/72/28/95/353722895.db2.gz VZNZYQOGXZGFHC-HNNXBMFYSA-N 1 0 308.426 1.240 50 0 DDAARO COc1cc(OC)c(C(=O)N2CCC[N@H+](C)CC2)cc1OC ZINC000003310185 181002581 /nfs/dbraw/zinc/00/25/81/181002581.db2.gz USUBPTHBCCTISE-UHFFFAOYSA-N 1 0 308.378 1.490 50 0 DDAARO COCCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cn1 ZINC000089937202 353784617 /nfs/dbraw/zinc/78/46/17/353784617.db2.gz XJUPBFGBDKRIQO-TZMCWYRMSA-N 1 0 307.394 1.129 50 0 DDAARO CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000095725645 353913054 /nfs/dbraw/zinc/91/30/54/353913054.db2.gz QMIVLNMFESBERW-CYBMUJFWSA-N 1 0 314.426 1.517 50 0 DDAARO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000097104752 353918192 /nfs/dbraw/zinc/91/81/92/353918192.db2.gz SPIBITSAKXLKTG-UHFFFAOYSA-N 1 0 303.406 1.132 50 0 DDAARO C[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccncc1 ZINC000097370633 353918793 /nfs/dbraw/zinc/91/87/93/353918793.db2.gz ZGCVOHJAHDTFJI-CZUORRHYSA-N 1 0 311.385 1.852 50 0 DDAARO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC000106787091 353941867 /nfs/dbraw/zinc/94/18/67/353941867.db2.gz YIEJEAZGYRONSG-HZPDHXFCSA-N 1 0 318.425 1.007 50 0 DDAARO O[C@@H]1CCCC[C@H]1[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000004299461 181094677 /nfs/dbraw/zinc/09/46/77/181094677.db2.gz VNNCPRMYHRGUQU-NXEZZACHSA-N 1 0 304.316 1.800 50 0 DDAARO CCC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252477033 354383132 /nfs/dbraw/zinc/38/31/32/354383132.db2.gz HBUVVKZDTONMAD-OWCLPIDISA-N 1 0 310.486 1.890 50 0 DDAARO COCCN1[C@H](C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000252585775 354383844 /nfs/dbraw/zinc/38/38/44/354383844.db2.gz KZOQRNIXCGSPLK-FMKPAKJESA-N 1 0 305.422 1.254 50 0 DDAARO COc1ccc(C[NH2+]CCNC(=O)c2ccncc2)cc1OC ZINC000004498108 181115737 /nfs/dbraw/zinc/11/57/37/181115737.db2.gz DRKINBDFRKEWSM-UHFFFAOYSA-N 1 0 315.373 1.618 50 0 DDAARO O[C@H]1CN(Cc2cccc3nonc32)C[C@@H]1[NH+]1CCCCC1 ZINC000584890527 354792539 /nfs/dbraw/zinc/79/25/39/354792539.db2.gz ZSPKSXPPTXVODG-GJZGRUSLSA-N 1 0 302.378 1.254 50 0 DDAARO C[NH+]1CCC(OCCCn2cnc3ncccc3c2=O)CC1 ZINC000584901830 354800976 /nfs/dbraw/zinc/80/09/76/354800976.db2.gz FUMAGUNJDSASLR-UHFFFAOYSA-N 1 0 302.378 1.292 50 0 DDAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]CC1(CO)CCC1 ZINC000584890995 354793640 /nfs/dbraw/zinc/79/36/40/354793640.db2.gz ZIALKDVOJCXKBJ-ZDUSSCGKSA-N 1 0 301.390 1.537 50 0 DDAARO CC[C@H](C)Oc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000077380061 191704584 /nfs/dbraw/zinc/70/45/84/191704584.db2.gz WEUMKPAIRPDEKB-LBPRGKRZSA-N 1 0 317.393 1.344 50 0 DDAARO CCc1c(C(=O)N2CCC([NH2+]C)CC2)cnn1-c1ccccn1 ZINC000237092060 202149892 /nfs/dbraw/zinc/14/98/92/202149892.db2.gz RJUDJYQMQSYHBL-UHFFFAOYSA-N 1 0 313.405 1.654 50 0 DDAARO COc1ccsc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237119156 202158763 /nfs/dbraw/zinc/15/87/63/202158763.db2.gz BEIDHUPDGXDZEP-ZJUUUORDSA-N 1 0 304.437 1.505 50 0 DDAARO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1Br ZINC000237721659 202338071 /nfs/dbraw/zinc/33/80/71/202338071.db2.gz IKXDXVPCPHEFCL-SECBINFHSA-N 1 0 319.224 1.479 50 0 DDAARO Cc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1Br ZINC000237721744 202338594 /nfs/dbraw/zinc/33/85/94/202338594.db2.gz IKXDXVPCPHEFCL-VIFPVBQESA-N 1 0 319.224 1.479 50 0 DDAARO Cn1nccc1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237678743 202326399 /nfs/dbraw/zinc/32/63/99/202326399.db2.gz KIDGBHISYRRGHA-QGZVFWFLSA-N 1 0 324.428 1.841 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC[NH2+]1 ZINC000188431534 200245637 /nfs/dbraw/zinc/24/56/37/200245637.db2.gz JLRZSEPQXVZTHF-LLVKDONJSA-N 1 0 304.781 1.960 50 0 DDAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC[NH3+] ZINC000237839662 202367716 /nfs/dbraw/zinc/36/77/16/202367716.db2.gz RIDNCFRYDMRAQG-UHFFFAOYSA-N 1 0 311.389 1.507 50 0 DDAARO Cc1nc([C@H](NC(=O)C2CC[NH2+]CC2)c2ccccc2F)no1 ZINC000237781659 202354643 /nfs/dbraw/zinc/35/46/43/202354643.db2.gz DHHDKXQOBQSHMU-CQSZACIVSA-N 1 0 318.352 1.722 50 0 DDAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(CO)C2)CC1 ZINC000189026757 200337195 /nfs/dbraw/zinc/33/71/95/200337195.db2.gz DRBHRBCUDDQABF-AWEZNQCLSA-N 1 0 317.433 1.846 50 0 DDAARO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nn1 ZINC000195531929 201399812 /nfs/dbraw/zinc/39/98/12/201399812.db2.gz ITGYFDKEYCHGFF-OLZOCXBDSA-N 1 0 304.394 1.573 50 0 DDAARO Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)nc(N)[nH+]1 ZINC000091325472 193040274 /nfs/dbraw/zinc/04/02/74/193040274.db2.gz AMQDZGGJGLQEMI-UONOGXRCSA-N 1 0 315.421 1.595 50 0 DDAARO C[NH+](C)[C@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1C1CC1 ZINC000091440987 193056160 /nfs/dbraw/zinc/05/61/60/193056160.db2.gz VKRDZLBJJVXLGW-KGLIPLIRSA-N 1 0 310.829 1.725 50 0 DDAARO CCC[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CN3)C[C@@H]1[NH3+] ZINC000091551269 193072815 /nfs/dbraw/zinc/07/28/15/193072815.db2.gz USFAGLCPURODCY-RYUDHWBXSA-N 1 0 302.378 1.250 50 0 DDAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1C[C@H]([NH3+])[C@@H](CCO)C1 ZINC000091562970 193073865 /nfs/dbraw/zinc/07/38/65/193073865.db2.gz OYNBLBOUGJBTPO-ZFWWWQNUSA-N 1 0 315.417 1.875 50 0 DDAARO CCc1c(C)nn(CC(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)c1C ZINC000091460501 193059616 /nfs/dbraw/zinc/05/96/16/193059616.db2.gz WEESINHMHABPHH-SJORKVTESA-N 1 0 318.465 1.861 50 0 DDAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC000091755937 193103313 /nfs/dbraw/zinc/10/33/13/193103313.db2.gz GDLXZLPDEUQBCR-RHSMWYFYSA-N 1 0 307.438 1.757 50 0 DDAARO CCn1nc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091807479 193111463 /nfs/dbraw/zinc/11/14/63/193111463.db2.gz LCAGKCRGSFIZBJ-ZIAGYGMSSA-N 1 0 322.453 1.269 50 0 DDAARO CCCn1cc(-c2cn([C@H]3C[N@@H+](C(C)C)C[C@@H]3O)nn2)c(C)n1 ZINC000091892736 193122804 /nfs/dbraw/zinc/12/28/04/193122804.db2.gz YNVJJQFRDPGJFR-HOTGVXAUSA-N 1 0 318.425 1.486 50 0 DDAARO C[C@@H](C1CCN(C(=O)c2cc(CO)ccn2)CC1)[NH+]1CCCC1 ZINC000217069985 201510266 /nfs/dbraw/zinc/51/02/66/201510266.db2.gz WRXQYBUFPHDISE-AWEZNQCLSA-N 1 0 317.433 1.910 50 0 DDAARO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000096486800 193667250 /nfs/dbraw/zinc/66/72/50/193667250.db2.gz PZRSCOLEMVLVFQ-WFASDCNBSA-N 1 0 308.426 1.391 50 0 DDAARO Cc1cc(C)n2ncc(C(=O)NCC[NH+]3CCCCCC3)c2n1 ZINC000015770890 182015361 /nfs/dbraw/zinc/01/53/61/182015361.db2.gz HPRMYYXTJAFNOM-UHFFFAOYSA-N 1 0 315.421 1.952 50 0 DDAARO Cn1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000020535629 182227931 /nfs/dbraw/zinc/22/79/31/182227931.db2.gz FYVPKMBBUNHBPP-SFHVURJKSA-N 1 0 314.433 1.489 50 0 DDAARO OCCOCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022033013 182305728 /nfs/dbraw/zinc/30/57/28/182305728.db2.gz WLIFUECHCBIXLE-UHFFFAOYSA-N 1 0 314.429 1.966 50 0 DDAARO CCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127420 182349353 /nfs/dbraw/zinc/34/93/53/182349353.db2.gz MCEMLXLNLHNLHC-UHFFFAOYSA-N 1 0 317.433 1.541 50 0 DDAARO C[N@@H+]1CCC[C@@H]1C(=O)NCc1nccn1CCc1ccccc1 ZINC000267546864 206136649 /nfs/dbraw/zinc/13/66/49/206136649.db2.gz BUPIJXRTSPLBMU-MRXNPFEDSA-N 1 0 312.417 1.836 50 0 DDAARO C[N@@H+]1CCC[C@H]1C(=O)NCc1nccn1CCc1ccccc1 ZINC000267546862 206136888 /nfs/dbraw/zinc/13/68/88/206136888.db2.gz BUPIJXRTSPLBMU-INIZCTEOSA-N 1 0 312.417 1.836 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)Nc1ccc(-n2cnnn2)cc1 ZINC000040526622 183092603 /nfs/dbraw/zinc/09/26/03/183092603.db2.gz IBRWEJFMPAUNDP-UHFFFAOYSA-N 1 0 315.381 1.270 50 0 DDAARO C[NH+]1CCC(CNC(=O)NCc2cccc3c2OCO3)CC1 ZINC000105173220 194082316 /nfs/dbraw/zinc/08/23/16/194082316.db2.gz MFNOQUCIWRVZQE-UHFFFAOYSA-N 1 0 305.378 1.556 50 0 DDAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000110797568 194359477 /nfs/dbraw/zinc/35/94/77/194359477.db2.gz GLWYURDIVBKVLD-SNVBAGLBSA-N 1 0 322.352 1.983 50 0 DDAARO CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000057000349 184023926 /nfs/dbraw/zinc/02/39/26/184023926.db2.gz YBPJKJGDVSKPOS-OAHLLOKOSA-N 1 0 321.465 1.626 50 0 DDAARO COc1cccc([C@H]2CCC[N@@H+]2CCCNS(C)(=O)=O)c1 ZINC000058170896 184083989 /nfs/dbraw/zinc/08/39/89/184083989.db2.gz CFNKWFWPRLETFR-OAHLLOKOSA-N 1 0 312.435 1.771 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1cccc(Cn3ccnc3)c1)CN2 ZINC000058291746 184101432 /nfs/dbraw/zinc/10/14/32/184101432.db2.gz FTFUWNVMVXMTSL-QGZVFWFLSA-N 1 0 322.416 1.959 50 0 DDAARO C[C@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)[NH+](C)C ZINC000058796140 184129006 /nfs/dbraw/zinc/12/90/06/184129006.db2.gz YWXZBEKSTCWNSP-SNVBAGLBSA-N 1 0 307.785 1.601 50 0 DDAARO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000065459481 184348185 /nfs/dbraw/zinc/34/81/85/184348185.db2.gz XDWMMCMMIHCQMU-HZPDHXFCSA-N 1 0 315.417 1.246 50 0 DDAARO C[NH+]1CCC(N(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000065541743 184363958 /nfs/dbraw/zinc/36/39/58/184363958.db2.gz GLWYRSYHNWLPKX-UHFFFAOYSA-N 1 0 300.399 1.682 50 0 DDAARO Cc1ccc(NC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000065609378 184372584 /nfs/dbraw/zinc/37/25/84/184372584.db2.gz SOGREXILACZVGA-LBPRGKRZSA-N 1 0 304.394 1.455 50 0 DDAARO COC(=O)C(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065866414 184381659 /nfs/dbraw/zinc/38/16/59/184381659.db2.gz UUWGBQDAHVDCHB-UHFFFAOYSA-N 1 0 318.417 1.966 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000299749663 532997483 /nfs/dbraw/zinc/99/74/83/532997483.db2.gz LFJCFACIIQYCKA-ZYHUDNBSSA-N 1 0 317.418 1.942 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262731553 257237898 /nfs/dbraw/zinc/23/78/98/257237898.db2.gz CZVDENKNVFMOGX-IUODEOHRSA-N 1 0 324.446 1.740 50 0 DDAARO OC1CC(c2cc(N3CCN(c4cc[nH+]cc4)CC3)ncn2)C1 ZINC000223114446 407566240 /nfs/dbraw/zinc/56/62/40/407566240.db2.gz XCSHPEDPEHPTLP-UHFFFAOYSA-N 1 0 311.389 1.437 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000069374021 406703373 /nfs/dbraw/zinc/70/33/73/406703373.db2.gz WJNJMKHGVXHHMC-NSHDSACASA-N 1 0 302.407 1.918 50 0 DDAARO C[NH+]1CCN(C[C@H](NC(=O)NC2CC2)c2ccccc2)CC1 ZINC000069222780 406692216 /nfs/dbraw/zinc/69/22/16/406692216.db2.gz QYCYVIYFZQQXPA-INIZCTEOSA-N 1 0 302.422 1.437 50 0 DDAARO CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COCc1ccco1 ZINC000002624916 406692484 /nfs/dbraw/zinc/69/24/84/406692484.db2.gz FLPFLGOYWKDQIH-CYBMUJFWSA-N 1 0 312.410 1.394 50 0 DDAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000002665012 406695739 /nfs/dbraw/zinc/69/57/39/406695739.db2.gz YJURVWNSSZEBTD-FRRDWIJNSA-N 1 0 311.344 1.817 50 0 DDAARO CC(C)[N@H+](C)CCNC(=O)CCn1c2ccccc2oc1=O ZINC000069568765 406737116 /nfs/dbraw/zinc/73/71/16/406737116.db2.gz ZFHLQORSZTZWIH-UHFFFAOYSA-N 1 0 305.378 1.441 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069773898 406771533 /nfs/dbraw/zinc/77/15/33/406771533.db2.gz LLAWFSJHUONGMC-BYNSBNAKSA-N 1 0 308.426 1.194 50 0 DDAARO O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069630602 406747824 /nfs/dbraw/zinc/74/78/24/406747824.db2.gz OFYJVMIFBXILGE-CABCVRRESA-N 1 0 302.378 1.182 50 0 DDAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCCOC)nc2)C1 ZINC000069665495 406753762 /nfs/dbraw/zinc/75/37/62/406753762.db2.gz VWFRPSZTFGKALZ-CQSZACIVSA-N 1 0 322.409 1.665 50 0 DDAARO Cc1ccccc1C(=O)OC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069698458 406756690 /nfs/dbraw/zinc/75/66/90/406756690.db2.gz MTPZKAKOMKWFTC-UHFFFAOYSA-N 1 0 304.390 1.704 50 0 DDAARO C[NH+](C)C1(CNC(=O)c2cccc3c2OCCO3)CCOCC1 ZINC000069743159 406766120 /nfs/dbraw/zinc/76/61/20/406766120.db2.gz OMHBVYNYAAFABQ-UHFFFAOYSA-N 1 0 320.389 1.298 50 0 DDAARO CNC(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cn1 ZINC000069510168 406726492 /nfs/dbraw/zinc/72/64/92/406726492.db2.gz RTVONSVNIAMAAX-CABCVRRESA-N 1 0 316.405 1.140 50 0 DDAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCC3)C2)n1 ZINC000069846360 406782565 /nfs/dbraw/zinc/78/25/65/406782565.db2.gz ROLAKNWQMQDNRT-BBRMVZONSA-N 1 0 319.453 1.618 50 0 DDAARO CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069926415 406794261 /nfs/dbraw/zinc/79/42/61/406794261.db2.gz BOXDQTSOOKCOCB-INIZCTEOSA-N 1 0 323.412 1.094 50 0 DDAARO C[NH+](C)CCCNC(=O)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012321669 406840149 /nfs/dbraw/zinc/84/01/49/406840149.db2.gz SPONCHLEDQZGJT-UHFFFAOYSA-N 1 0 313.361 1.899 50 0 DDAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1=O ZINC000011817488 406830042 /nfs/dbraw/zinc/83/00/42/406830042.db2.gz YUSQFULOKNRNQO-QGZVFWFLSA-N 1 0 303.406 1.543 50 0 DDAARO CCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011878514 406832750 /nfs/dbraw/zinc/83/27/50/406832750.db2.gz URWZBRMTRRRNSS-CYBMUJFWSA-N 1 0 322.453 1.171 50 0 DDAARO Cc1nn(C[C@@H](O)C[NH+]2CCC(C)CC2)c(=O)c2ccccc12 ZINC000071825069 406847633 /nfs/dbraw/zinc/84/76/33/406847633.db2.gz DABSJOLPCLJHNB-HNNXBMFYSA-N 1 0 315.417 1.798 50 0 DDAARO COc1c(C)cc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1C ZINC000071837116 406850552 /nfs/dbraw/zinc/85/05/52/406850552.db2.gz DXBQOEVOSZCJDM-UHFFFAOYSA-N 1 0 305.422 1.176 50 0 DDAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC000071830780 406850616 /nfs/dbraw/zinc/85/06/16/406850616.db2.gz FEKFAXNWSPROAJ-IIAWOOMASA-N 1 0 317.433 1.863 50 0 DDAARO O=C(NCc1nc(C2CC2)no1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071882566 406861002 /nfs/dbraw/zinc/86/10/02/406861002.db2.gz ZLSXLKDQQDYBDQ-GFCCVEGCSA-N 1 0 319.409 1.763 50 0 DDAARO Cc1ccc(OCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000072156136 406875406 /nfs/dbraw/zinc/87/54/06/406875406.db2.gz DDPRIOOOAFTGKU-KRWDZBQOSA-N 1 0 306.406 1.289 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)nn1 ZINC000072253220 406876475 /nfs/dbraw/zinc/87/64/75/406876475.db2.gz XQQSNVQSQXGTSF-KGLIPLIRSA-N 1 0 303.410 1.241 50 0 DDAARO C[NH+](C)CCCC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000015075851 406878382 /nfs/dbraw/zinc/87/83/82/406878382.db2.gz KOTGUPSVLNPVST-HNNXBMFYSA-N 1 0 321.396 1.385 50 0 DDAARO O=C(CN1CCSc2ccccc21)NCC[NH+]1CCCC1 ZINC000015785867 406882053 /nfs/dbraw/zinc/88/20/53/406882053.db2.gz XFXFHSKNTTWFKV-UHFFFAOYSA-N 1 0 305.447 1.811 50 0 DDAARO CC[NH+]1CCN(c2nc(N3CCCC3)nc3c2cnn3C)CC1 ZINC000021930044 406889519 /nfs/dbraw/zinc/88/95/19/406889519.db2.gz UFCAJWDIORIFEA-UHFFFAOYSA-N 1 0 315.425 1.105 50 0 DDAARO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000025418012 406897861 /nfs/dbraw/zinc/89/78/61/406897861.db2.gz FEYRSJJGGWLLHG-ZDUSSCGKSA-N 1 0 303.406 1.231 50 0 DDAARO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038354 406907755 /nfs/dbraw/zinc/90/77/55/406907755.db2.gz MHEJJZMCEGBFSX-VXGBXAGGSA-N 1 0 319.405 1.925 50 0 DDAARO CCOc1ccccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000030656302 406933629 /nfs/dbraw/zinc/93/36/29/406933629.db2.gz UTAUHBYWSXPCSW-UHFFFAOYSA-N 1 0 312.435 1.599 50 0 DDAARO Nc1nc2n[nH]cc2c(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000032593104 406950336 /nfs/dbraw/zinc/95/03/36/406950336.db2.gz ZTSILNMTWAIACM-UHFFFAOYSA-N 1 0 315.406 1.319 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000044502509 407025137 /nfs/dbraw/zinc/02/51/37/407025137.db2.gz KUBPSSVMKCOYAX-SECBINFHSA-N 1 0 306.790 1.757 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1OC ZINC000044556601 407026670 /nfs/dbraw/zinc/02/66/70/407026670.db2.gz DUZXDKJVHHKVLR-LLVKDONJSA-N 1 0 314.407 1.206 50 0 DDAARO COc1ncccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044968848 407036042 /nfs/dbraw/zinc/03/60/42/407036042.db2.gz ODZLFEOZNVNVRD-UONOGXRCSA-N 1 0 304.394 1.516 50 0 DDAARO COC(=O)c1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)o1 ZINC000077337781 406985158 /nfs/dbraw/zinc/98/51/58/406985158.db2.gz UXHSXMJNXVQYKB-UHFFFAOYSA-N 1 0 306.362 1.511 50 0 DDAARO CC1CCN(Cc2nc(C(=O)NCC[NH+]3CCCC3)co2)CC1 ZINC000037547436 406990327 /nfs/dbraw/zinc/99/03/27/406990327.db2.gz JPCJXHAPDFJOKM-UHFFFAOYSA-N 1 0 320.437 1.732 50 0 DDAARO c1ccc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CC[NH2+]C3)nc1 ZINC000077565219 406996565 /nfs/dbraw/zinc/99/65/65/406996565.db2.gz NOJVYFUGIUXXPD-GFCCVEGCSA-N 1 0 311.389 1.775 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1F ZINC000048299754 407094503 /nfs/dbraw/zinc/09/45/03/407094503.db2.gz IJSWJYBJWFWTPG-NSHDSACASA-N 1 0 316.398 1.597 50 0 DDAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)COC)cc2)CC1 ZINC000048333518 407094600 /nfs/dbraw/zinc/09/46/00/407094600.db2.gz PHZVZLOLIQXLKB-UHFFFAOYSA-N 1 0 305.422 1.087 50 0 DDAARO O=C(/C=C/c1ccccc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436644 407101152 /nfs/dbraw/zinc/10/11/52/407101152.db2.gz QADCBFFDWMEPNP-RCMYXZNBSA-N 1 0 300.402 1.615 50 0 DDAARO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1nncn1C ZINC000046752114 407062844 /nfs/dbraw/zinc/06/28/44/407062844.db2.gz BARNGQYEVHVKLE-KBPBESRZSA-N 1 0 322.457 1.687 50 0 DDAARO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)ccc1Br ZINC000050242034 407129837 /nfs/dbraw/zinc/12/98/37/407129837.db2.gz RQKPLWGOEMNPMW-VIFPVBQESA-N 1 0 319.224 1.479 50 0 DDAARO O=S1(=O)CCCN1CC[NH2+][C@H]1CCCc2sccc21 ZINC000089519314 407138968 /nfs/dbraw/zinc/13/89/68/407138968.db2.gz JZEFXIWHBHXUHT-LBPRGKRZSA-N 1 0 300.449 1.751 50 0 DDAARO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089926181 407159038 /nfs/dbraw/zinc/15/90/38/407159038.db2.gz ACNVHLPIGGOHMZ-HIFRSBDPSA-N 1 0 322.453 1.422 50 0 DDAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccccc1-n1cncn1 ZINC000091270271 407181520 /nfs/dbraw/zinc/18/15/20/407181520.db2.gz IYRKBENYBADJSR-INIZCTEOSA-N 1 0 313.405 1.758 50 0 DDAARO O=C(NCc1cc(=O)[nH]cn1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095378948 407210777 /nfs/dbraw/zinc/21/07/77/407210777.db2.gz GBTBEILFSLYAQH-AWEZNQCLSA-N 1 0 312.373 1.167 50 0 DDAARO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000095372235 407211096 /nfs/dbraw/zinc/21/10/96/407211096.db2.gz QZKUNJMPLCIPAX-CYBMUJFWSA-N 1 0 318.421 1.195 50 0 DDAARO CC[C@@H](C(=O)N1CCN([C@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943419 407215864 /nfs/dbraw/zinc/21/58/64/407215864.db2.gz SDLMMNAJJPNOFN-ZBFHGGJFSA-N 1 0 304.438 1.627 50 0 DDAARO Cn1cc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000095954675 407217228 /nfs/dbraw/zinc/21/72/28/407217228.db2.gz XCPQVHYQJJTLNZ-OAHLLOKOSA-N 1 0 301.394 1.522 50 0 DDAARO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000095961899 407218073 /nfs/dbraw/zinc/21/80/73/407218073.db2.gz FFHTWVRAZBBUQP-AWEZNQCLSA-N 1 0 324.446 1.726 50 0 DDAARO CNC(=O)CN1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000095967278 407218597 /nfs/dbraw/zinc/21/85/97/407218597.db2.gz BQRVMQZAGBOOGB-GFCCVEGCSA-N 1 0 301.500 1.707 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)CN2 ZINC000058342005 407220428 /nfs/dbraw/zinc/22/04/28/407220428.db2.gz PESZGRSWFBUAAL-SWLSCSKDSA-N 1 0 304.369 1.696 50 0 DDAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000062646938 407231828 /nfs/dbraw/zinc/23/18/28/407231828.db2.gz HKSKFYVAHXNBBN-CVEARBPZSA-N 1 0 316.449 1.906 50 0 DDAARO CC[C@H](CNc1nc2c(s1)c(C)nn2C)N1CC[NH+](C)CC1 ZINC000096180542 407243830 /nfs/dbraw/zinc/24/38/30/407243830.db2.gz FDSBVKSKSNGPTN-GFCCVEGCSA-N 1 0 322.482 1.776 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1NCc1ccccn1 ZINC000101699084 407315063 /nfs/dbraw/zinc/31/50/63/407315063.db2.gz MZIAOHYDJYUIHI-ZDUSSCGKSA-N 1 0 314.389 1.186 50 0 DDAARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CCOCC2)C1 ZINC000096444929 407267423 /nfs/dbraw/zinc/26/74/23/407267423.db2.gz VAXSEYTUHIDGRD-WMLDXEAASA-N 1 0 312.454 1.402 50 0 DDAARO CC(C)[C@H](C(=O)NC[C@@](C)(O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000096450404 407267968 /nfs/dbraw/zinc/26/79/68/407267968.db2.gz TWGUULUSSRAFST-NVXWUHKLSA-N 1 0 322.453 1.254 50 0 DDAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccco2)C[C@H]1O ZINC000096568993 407275251 /nfs/dbraw/zinc/27/52/51/407275251.db2.gz GETJKERUQINXFA-QZTJIDSGSA-N 1 0 315.417 1.784 50 0 DDAARO CC(C)[N@@H+]1CCO[C@H](CCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000067587608 407276412 /nfs/dbraw/zinc/27/64/12/407276412.db2.gz FWMIYAUVWXCBSH-CYBMUJFWSA-N 1 0 316.405 1.792 50 0 DDAARO COCC(=O)N[C@H](C)C1=CCCN(CC[NH+]2CCCCCC2)C1 ZINC000067650741 407278136 /nfs/dbraw/zinc/27/81/36/407278136.db2.gz UWCXUMGYRDXWQB-MRXNPFEDSA-N 1 0 323.481 1.646 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000097159931 407284183 /nfs/dbraw/zinc/28/41/83/407284183.db2.gz AKFVJEZVTLKJGN-INIZCTEOSA-N 1 0 323.824 1.969 50 0 DDAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC3CCC3)cnn2c1 ZINC000067817979 407285282 /nfs/dbraw/zinc/28/52/82/407285282.db2.gz WGYJOSIVSDSUML-UHFFFAOYSA-N 1 0 301.394 1.853 50 0 DDAARO O=c1[nH]c2cc3c(cc2cc1C[N@H+]1CCC[C@@H]1CCO)OCO3 ZINC000067834055 407286445 /nfs/dbraw/zinc/28/64/45/407286445.db2.gz OPHWMWGFOFMFBG-CYBMUJFWSA-N 1 0 316.357 1.604 50 0 DDAARO CCc1nnc2n1C[C@H]([NH2+]Cc1cccc3c1OCO3)CC2 ZINC000097199582 407286961 /nfs/dbraw/zinc/28/69/61/407286961.db2.gz HWLSGVCKCKHVBN-GFCCVEGCSA-N 1 0 300.362 1.674 50 0 DDAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(CCCO)C1=O ZINC000067883453 407288880 /nfs/dbraw/zinc/28/88/80/407288880.db2.gz NYPMIXZFHRYFOL-MRXNPFEDSA-N 1 0 311.426 1.095 50 0 DDAARO O=C(CO)NC[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000067909338 407289867 /nfs/dbraw/zinc/28/98/67/407289867.db2.gz JCFLKBSHMPOWNU-LLVKDONJSA-N 1 0 320.418 1.069 50 0 DDAARO CC[C@H](C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C)n1cccn1 ZINC000067981681 407293162 /nfs/dbraw/zinc/29/31/62/407293162.db2.gz FJFCABZRQGCVPZ-OAHLLOKOSA-N 1 0 319.453 1.073 50 0 DDAARO Cc1cc(F)cc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097514324 407299533 /nfs/dbraw/zinc/29/95/33/407299533.db2.gz TWQWBCRQXDEBDW-OAHLLOKOSA-N 1 0 306.385 1.646 50 0 DDAARO CCSc1ncc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cn1 ZINC000097572255 407299849 /nfs/dbraw/zinc/29/98/49/407299849.db2.gz OXSRESVNJKSOPL-ZDUSSCGKSA-N 1 0 309.435 1.704 50 0 DDAARO CC(=O)N1CCC2(CC1)CC[N@H+](Cc1ccco1)C[C@H]2CO ZINC000097578777 407300092 /nfs/dbraw/zinc/30/00/92/407300092.db2.gz IRRKEMIWLDJFFH-HNNXBMFYSA-N 1 0 306.406 1.723 50 0 DDAARO C[N@@H+]1CCCNC(=O)C12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000097744763 407302229 /nfs/dbraw/zinc/30/22/29/407302229.db2.gz LTJGURABTURHNR-UHFFFAOYSA-N 1 0 323.387 1.751 50 0 DDAARO C[N@@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO ZINC000104307493 407350872 /nfs/dbraw/zinc/35/08/72/407350872.db2.gz RTMJVOLWEPTOCD-OAHLLOKOSA-N 1 0 300.406 1.371 50 0 DDAARO COCC[NH2+]CCNC(=O)c1ccc(C)c(Br)c1 ZINC000195547817 407464300 /nfs/dbraw/zinc/46/43/00/407464300.db2.gz HNGOTBSFEYFYRD-UHFFFAOYSA-N 1 0 315.211 1.723 50 0 DDAARO [NH3+]CCCOC1CCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000195537958 407465626 /nfs/dbraw/zinc/46/56/26/407465626.db2.gz SSBBUTPAAYVUIC-UHFFFAOYSA-N 1 0 312.360 1.864 50 0 DDAARO COc1nc(C)nc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c1C ZINC000195567328 407469078 /nfs/dbraw/zinc/46/90/78/407469078.db2.gz LDINCGASBCZTCF-CYBMUJFWSA-N 1 0 304.398 1.550 50 0 DDAARO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCN1CC(F)F ZINC000195554938 407469195 /nfs/dbraw/zinc/46/91/95/407469195.db2.gz MEBGBWUECPWZNR-HIFRSBDPSA-N 1 0 311.376 1.874 50 0 DDAARO CC(C)c1nnc2n1[C@H](C(=O)N(C)CC[NH+](C)C)CCCC2 ZINC000257174055 407480673 /nfs/dbraw/zinc/48/06/73/407480673.db2.gz BUDHRVBWTJZUJB-ZDUSSCGKSA-N 1 0 307.442 1.689 50 0 DDAARO COCC(=O)N1C[C@H](CF)C2(C1)CC[NH+](CC(C)C)CC2 ZINC000257176752 407481775 /nfs/dbraw/zinc/48/17/75/407481775.db2.gz UPXWMXPMXAKHHT-AWEZNQCLSA-N 1 0 300.418 1.799 50 0 DDAARO COc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)C2CCC2)C1 ZINC000257179555 407483142 /nfs/dbraw/zinc/48/31/42/407483142.db2.gz CTHLGDKPRHCKMR-JKSUJKDBSA-N 1 0 318.417 1.404 50 0 DDAARO COc1cc(CN2CC(O)C2)ccc1OCC[NH+]1CCCCC1 ZINC000215555684 407488340 /nfs/dbraw/zinc/48/83/40/407488340.db2.gz GPECLIPCVHVOBL-UHFFFAOYSA-N 1 0 320.433 1.736 50 0 DDAARO CC(C)(O)CN1CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC000170596444 407446843 /nfs/dbraw/zinc/44/68/43/407446843.db2.gz QTEXCBQXCTWSPC-UHFFFAOYSA-N 1 0 306.526 1.530 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CCn1c(=O)cc(C)[nH]c1=O ZINC000253537114 407456506 /nfs/dbraw/zinc/45/65/06/407456506.db2.gz YCAFXLWTLBBVGD-UHFFFAOYSA-N 1 0 319.409 1.162 50 0 DDAARO Cn1cccc1C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000218950193 407526249 /nfs/dbraw/zinc/52/62/49/407526249.db2.gz XFARTURKFACLEB-UHFFFAOYSA-N 1 0 309.413 1.950 50 0 DDAARO Cc1nn(C)c(C)c1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229381107 407660954 /nfs/dbraw/zinc/66/09/54/407660954.db2.gz QHFFNWNAKHZLNP-OLZOCXBDSA-N 1 0 306.454 1.816 50 0 DDAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1 ZINC000229310641 407658012 /nfs/dbraw/zinc/65/80/12/407658012.db2.gz LITUQZCQAGYHIA-YPMHNXCESA-N 1 0 300.428 1.083 50 0 DDAARO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265015 407658532 /nfs/dbraw/zinc/65/85/32/407658532.db2.gz VOHWJMNVCABTHU-VXGBXAGGSA-N 1 0 308.382 1.288 50 0 DDAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2)cn1 ZINC000229559149 407666803 /nfs/dbraw/zinc/66/68/03/407666803.db2.gz BLBGYMHPSFCDNV-WBVHZDCISA-N 1 0 301.390 1.997 50 0 DDAARO C[C@H]1CCCN(S(=O)(=O)c2cccc3cnccc32)[C@@H]1C[NH3+] ZINC000261914028 407668426 /nfs/dbraw/zinc/66/84/26/407668426.db2.gz GOXTXSVADUTWBA-SWLSCSKDSA-N 1 0 319.430 1.983 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000179029793 407696975 /nfs/dbraw/zinc/69/69/75/407696975.db2.gz CXASHKOPDYXLKR-ZDUSSCGKSA-N 1 0 311.385 1.927 50 0 DDAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000179499967 407800770 /nfs/dbraw/zinc/80/07/70/407800770.db2.gz BDMQIPSAFIUJNC-ZDUSSCGKSA-N 1 0 313.405 1.771 50 0 DDAARO CC(C)Cn1ncc2cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cnc21 ZINC000153387130 407811913 /nfs/dbraw/zinc/81/19/13/407811913.db2.gz OFSKLSWKWRODCP-BETUJISGSA-N 1 0 315.421 1.910 50 0 DDAARO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000238055229 407878487 /nfs/dbraw/zinc/87/84/87/407878487.db2.gz AZCQJJWJWMKHRF-GXFFZTMASA-N 1 0 302.827 1.887 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000154055808 407961029 /nfs/dbraw/zinc/96/10/29/407961029.db2.gz BTSPQMIKTAGVEZ-BNDLJXMOSA-N 1 0 301.390 1.268 50 0 DDAARO O=C(NCc1ccco1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244690907 407931295 /nfs/dbraw/zinc/93/12/95/407931295.db2.gz IZGKOLSBBJDUIB-UMVBOHGHSA-N 1 0 307.394 1.218 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CN(C)Cc1ccccc1F ZINC000244811795 407939005 /nfs/dbraw/zinc/93/90/05/407939005.db2.gz SLKKXMXNOXVIHX-HOTGVXAUSA-N 1 0 323.412 1.093 50 0 DDAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000244852651 407941779 /nfs/dbraw/zinc/94/17/79/407941779.db2.gz UWILVVIWOSDSAY-CQSZACIVSA-N 1 0 316.405 1.566 50 0 DDAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000262812770 407942110 /nfs/dbraw/zinc/94/21/10/407942110.db2.gz YMOOPDBEQHUVFJ-OLZOCXBDSA-N 1 0 319.430 1.914 50 0 DDAARO O=C1NCCN1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190193835 408186137 /nfs/dbraw/zinc/18/61/37/408186137.db2.gz BYIREGJBONJDSK-UHFFFAOYSA-N 1 0 323.437 1.409 50 0 DDAARO Cc1ccc(-n2cc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])nn2)cc1 ZINC000269187039 408232159 /nfs/dbraw/zinc/23/21/59/408232159.db2.gz MMVWXRQUVVOHNI-CZUORRHYSA-N 1 0 313.405 1.918 50 0 DDAARO C[C@H]1CCCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)[C@@H]1C[NH3+] ZINC000156864402 408280498 /nfs/dbraw/zinc/28/04/98/408280498.db2.gz AJQRJQDUHORGFA-GXSJLCMTSA-N 1 0 320.422 1.057 50 0 DDAARO CSC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000190713199 408308642 /nfs/dbraw/zinc/30/86/42/408308642.db2.gz PWPQPVGRZSCBJS-KGLIPLIRSA-N 1 0 312.479 1.766 50 0 DDAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000269643498 408371917 /nfs/dbraw/zinc/37/19/17/408371917.db2.gz ORNVCTJARFMKBQ-PSASIEDQSA-N 1 0 320.846 1.130 50 0 DDAARO CCc1noc(C2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)n1 ZINC000191901736 408504357 /nfs/dbraw/zinc/50/43/57/408504357.db2.gz KSRHOXMJUJSNAP-UHFFFAOYSA-N 1 0 320.397 1.897 50 0 DDAARO C[C@H](c1nnnn1C1CC1)N1CCSC2(CCOCC2)C1 ZINC000192193186 408555665 /nfs/dbraw/zinc/55/56/65/408555665.db2.gz AYLKAQXJJKFLBW-LLVKDONJSA-N 1 0 309.439 1.667 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000248106291 408534729 /nfs/dbraw/zinc/53/47/29/408534729.db2.gz 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ZINC000169676421 408820033 /nfs/dbraw/zinc/82/00/33/408820033.db2.gz LODUGDDKCOADJP-LLVKDONJSA-N 1 0 309.329 1.934 50 0 DDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3[nH]nnc3C)CC2)o1 ZINC000299757818 410608044 /nfs/dbraw/zinc/60/80/44/410608044.db2.gz CDLNPPFUPRYCGH-UHFFFAOYSA-N 1 0 317.393 1.657 50 0 DDAARO Cc1nc(CCNC(=O)c2ccc(C)c(OCCC[NH3+])c2)no1 ZINC000299770719 410613934 /nfs/dbraw/zinc/61/39/34/410613934.db2.gz QKPNSROSZCUOJW-UHFFFAOYSA-N 1 0 318.377 1.387 50 0 DDAARO COc1cccc(C(=O)N2CCSCC2)c1OCCC[NH3+] ZINC000299767619 410615497 /nfs/dbraw/zinc/61/54/97/410615497.db2.gz IKPLFRXFNVMRQJ-UHFFFAOYSA-N 1 0 310.419 1.612 50 0 DDAARO Cc1cc(OC(F)F)ccc1NC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000299770678 410615603 /nfs/dbraw/zinc/61/56/03/410615603.db2.gz UXFDMONAPHJRJP-CQSZACIVSA-N 1 0 315.320 1.442 50 0 DDAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000299775928 410621354 /nfs/dbraw/zinc/62/13/54/410621354.db2.gz MHHBIKMGMVQRIK-SFHVURJKSA-N 1 0 313.401 1.464 50 0 DDAARO Cc1ccc(C(=O)N2CC(n3cccn3)C2)c(OCCC[NH3+])c1 ZINC000299780003 410621458 /nfs/dbraw/zinc/62/14/58/410621458.db2.gz OOKXWWAUPTULLF-UHFFFAOYSA-N 1 0 314.389 1.616 50 0 DDAARO CO[C@H](C)c1noc(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000331061623 410923750 /nfs/dbraw/zinc/92/37/50/410923750.db2.gz UNEVHAYPYRICBV-GFCCVEGCSA-N 1 0 324.425 1.856 50 0 DDAARO c1ccc(-n2nnnc2CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000044975492 418436253 /nfs/dbraw/zinc/43/62/53/418436253.db2.gz MAVPORHLIZAXKF-INIZCTEOSA-N 1 0 312.421 1.723 50 0 DDAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C(C)C)[NH+](C)C)C1 ZINC000046194712 418446347 /nfs/dbraw/zinc/44/63/47/418446347.db2.gz UNOJEIJJWGAPDC-GJZGRUSLSA-N 1 0 311.470 1.583 50 0 DDAARO Cn1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1=O ZINC000046948808 418452642 /nfs/dbraw/zinc/45/26/42/418452642.db2.gz IMHCWYXIRGZBEZ-HNNXBMFYSA-N 1 0 305.422 1.626 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000178521569 221869479 /nfs/dbraw/zinc/86/94/79/221869479.db2.gz APCAGJFZEHKDGL-VIFPVBQESA-N 1 0 303.284 1.444 50 0 DDAARO CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000048354901 418470798 /nfs/dbraw/zinc/47/07/98/418470798.db2.gz SGGPHXCMLCHEKZ-HUUCEWRRSA-N 1 0 317.437 1.574 50 0 DDAARO Cn1cc([C@H](Nc2nc(N)[nH+]c3c2CCC3)[C@H]2C[C@H](O)C2)cn1 ZINC000223051051 418562367 /nfs/dbraw/zinc/56/23/67/418562367.db2.gz ZQGSORQNXROXTE-OLUVUFQESA-N 1 0 314.393 1.205 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000252474867 222244115 /nfs/dbraw/zinc/24/41/15/222244115.db2.gz NSLCFDDGANMAED-APIJFGDWSA-N 1 0 308.426 1.366 50 0 DDAARO C[NH2+]Cc1nnc(SCc2nc3ccccc3n2C)n1C ZINC000426705713 419534696 /nfs/dbraw/zinc/53/46/96/419534696.db2.gz OMZAINNEIILEHG-UHFFFAOYSA-N 1 0 302.407 1.714 50 0 DDAARO C[C@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)N1CCCC1 ZINC000426701620 228596803 /nfs/dbraw/zinc/59/68/03/228596803.db2.gz NKCYNHKEFNFCSZ-NSHDSACASA-N 1 0 323.466 1.385 50 0 DDAARO O=C(NCCc1ccccc1F)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426521167 419499900 /nfs/dbraw/zinc/49/99/00/419499900.db2.gz FFNFBLJBTYVNJA-SDSIWUNFSA-N 1 0 303.381 1.760 50 0 DDAARO CN(C/C=C\C(=O)N(C)CC[N@H+](C)C1CC1)CC(F)(F)F ZINC000492782430 420662560 /nfs/dbraw/zinc/66/25/60/420662560.db2.gz MFTIKWDIQCYPEU-PLNGDYQASA-N 1 0 307.360 1.589 50 0 DDAARO O[C@@H](C[N@@H+]1CCc2cc(F)ccc2C1)CC1(O)CCOCC1 ZINC000630042052 421858800 /nfs/dbraw/zinc/85/88/00/421858800.db2.gz GILNHOVBHBYDMZ-MRXNPFEDSA-N 1 0 309.381 1.476 50 0 DDAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1(CO)CC1 ZINC000585113580 422305631 /nfs/dbraw/zinc/30/56/31/422305631.db2.gz AVANVIKJZOWVFR-GOEBONIOSA-N 1 0 317.433 1.571 50 0 DDAARO Cc1nc2sc3c(c2c(N2CCC([NH3+])(CO)CC2)n1)CCC3 ZINC000089708951 274854806 /nfs/dbraw/zinc/85/48/06/274854806.db2.gz XICSRPZMANCOPE-UHFFFAOYSA-N 1 0 318.446 1.778 50 0 DDAARO CC1CCN(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000069657611 276199298 /nfs/dbraw/zinc/19/92/98/276199298.db2.gz MKMCDRIPUQOWFR-AWEZNQCLSA-N 1 0 315.483 1.570 50 0 DDAARO CC[N@H+](C)CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091350570 276304872 /nfs/dbraw/zinc/30/48/72/276304872.db2.gz XQSRZEYXQJSAMP-UHFFFAOYSA-N 1 0 316.405 1.364 50 0 DDAARO C[NH+](C)CC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000075876266 276776679 /nfs/dbraw/zinc/77/66/79/276776679.db2.gz NQYQTVSAJGQKOF-UHFFFAOYSA-N 1 0 302.353 1.662 50 0 DDAARO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000333887484 277244730 /nfs/dbraw/zinc/24/47/30/277244730.db2.gz WGGSXTWLNWWKIS-CQSZACIVSA-N 1 0 304.390 1.806 50 0 DDAARO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000299805197 278382032 /nfs/dbraw/zinc/38/20/32/278382032.db2.gz CLSSHGGBDWCHLA-CHWSQXEVSA-N 1 0 324.425 1.142 50 0 DDAARO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1-n1cncn1 ZINC000237448157 280324862 /nfs/dbraw/zinc/32/48/62/280324862.db2.gz BOOJQMOYXMFWLH-BBRMVZONSA-N 1 0 313.405 1.918 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCCNC1=O ZINC000058392179 280695337 /nfs/dbraw/zinc/69/53/37/280695337.db2.gz 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/nfs/dbraw/zinc/19/53/29/484195329.db2.gz GFZPHXICYNPEPX-UHFFFAOYSA-N 1 0 303.406 1.615 50 0 DDAARO Cc1nnc([C@@H](C)NC(=O)C2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000670437232 484828439 /nfs/dbraw/zinc/82/84/39/484828439.db2.gz GYWALEPALDXOOM-LLVKDONJSA-N 1 0 321.425 1.181 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cn(Cc3cccs3)nn2)[C@H]1C[NH3+] ZINC000156631170 524212411 /nfs/dbraw/zinc/21/24/11/524212411.db2.gz JYVICRZMIZVBPL-RISCZKNCSA-N 1 0 319.434 1.587 50 0 DDAARO C/C=C\c1ccc(OCC(=O)N2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000428999971 526342857 /nfs/dbraw/zinc/34/28/57/526342857.db2.gz FZFSTIVUFMTJEG-DSYXLKISSA-N 1 0 304.390 1.927 50 0 DDAARO NC(=O)c1cccnc1N1CCC([NH+]2CCSCC2)CC1 ZINC000032509060 696124244 /nfs/dbraw/zinc/12/42/44/696124244.db2.gz NHGIQRVOIBKJKY-UHFFFAOYSA-N 1 0 306.435 1.198 50 0 DDAARO OCC(CO)[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000065420776 696344888 /nfs/dbraw/zinc/34/48/88/696344888.db2.gz VGRZFHFYELOMCM-UHFFFAOYSA-N 1 0 307.419 1.162 50 0 DDAARO CCOCC(=O)N1CCC2(C[N@@H+](C3CCC3)C[C@@H]2COC)CC1 ZINC000169789872 697346456 /nfs/dbraw/zinc/34/64/56/697346456.db2.gz WHQMIUOKPACCKH-OAHLLOKOSA-N 1 0 324.465 1.762 50 0 DDAARO CN1CC[NH+](C2(CNC(=O)CCc3cn[nH]c3)CCCC2)CC1 ZINC000952962158 721528183 /nfs/dbraw/zinc/52/81/83/721528183.db2.gz BHNZUSUQTWWMTP-UHFFFAOYSA-N 1 0 319.453 1.019 50 0 DDAARO CS(=O)(=O)CCN1CCC(CNC(=O)C2CCCC2)CC1 ZINC000952970827 721529292 /nfs/dbraw/zinc/52/92/92/721529292.db2.gz DQBXDHFTBKRROS-UHFFFAOYSA-N 1 0 316.467 1.049 50 0 DDAARO O=C(NCC1CCN(c2ccncc2F)CC1)[C@H]1CCOC1 ZINC000952970766 721529347 /nfs/dbraw/zinc/52/93/47/721529347.db2.gz TTXSJIXTDZQMFG-ZDUSSCGKSA-N 1 0 307.369 1.590 50 0 DDAARO COCc1ncc(C)n1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000581807026 736205501 /nfs/dbraw/zinc/20/55/01/736205501.db2.gz AAHBFIAFTLUMPU-GFCCVEGCSA-N 1 0 301.412 1.010 50 0 DDAARO CN(C)CC[N@H+](C)C1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000823692169 758343252 /nfs/dbraw/zinc/34/32/52/758343252.db2.gz JHFXIMKOBBDQHE-QGZVFWFLSA-N 1 0 311.470 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Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)c(C)o1 ZINC000077376820 406987897 /nfs/dbraw/zinc/98/78/97/406987897.db2.gz QMTYCEYBJKWFOD-QGZVFWFLSA-N 1 0 306.406 1.959 50 0 DDAARO CCc1nc2sc(C)cc2c(N2CC[NH+](CCO)CC2)n1 ZINC000041090709 407005775 /nfs/dbraw/zinc/00/57/75/407005775.db2.gz WBOXZDICFRQWFF-UHFFFAOYSA-N 1 0 306.435 1.676 50 0 DDAARO CC[NH+]1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000048342466 407095817 /nfs/dbraw/zinc/09/58/17/407095817.db2.gz HSVRFJCMZCGUBP-UHFFFAOYSA-N 1 0 308.389 1.933 50 0 DDAARO O=C(Cc1ccccc1Cl)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436681 407100965 /nfs/dbraw/zinc/10/09/65/407100965.db2.gz CIQMTXKQRXHCNP-INIZCTEOSA-N 1 0 322.836 1.798 50 0 DDAARO O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000089819080 407152074 /nfs/dbraw/zinc/15/20/74/407152074.db2.gz VLQNVYAGJQDCLW-JKSUJKDBSA-N 1 0 319.449 1.332 50 0 DDAARO C[C@H](CNC(=O)Cn1ccc(=O)c2ccccc21)[NH+]1CCCC1 ZINC000089900760 407157132 /nfs/dbraw/zinc/15/71/32/407157132.db2.gz 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407181416 /nfs/dbraw/zinc/18/14/16/407181416.db2.gz ITHDMLOKHPUFQM-GFCCVEGCSA-N 1 0 305.353 1.217 50 0 DDAARO Cc1ccc(NC(=O)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000055283071 407201159 /nfs/dbraw/zinc/20/11/59/407201159.db2.gz NFMZDSVEVFPZTQ-HNNXBMFYSA-N 1 0 315.417 1.939 50 0 DDAARO Cc1ccnn1CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095352013 407207808 /nfs/dbraw/zinc/20/78/08/407207808.db2.gz VGZLKYQYZOQHBY-IAGOWNOFSA-N 1 0 316.449 1.914 50 0 DDAARO Cc1cc(C)nc(N2CCC([NH2+]CCCn3ccnn3)CC2)n1 ZINC000095378392 407211080 /nfs/dbraw/zinc/21/10/80/407211080.db2.gz JTIFIEOLKPLFRG-UHFFFAOYSA-N 1 0 315.425 1.334 50 0 DDAARO COCC[NH+]1CCC(NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000095955611 407217247 /nfs/dbraw/zinc/21/72/47/407217247.db2.gz ISTUOEZZNKEWSK-MRXNPFEDSA-N 1 0 306.406 1.601 50 0 DDAARO C[C@@H](CCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000095961829 407217550 /nfs/dbraw/zinc/21/75/50/407217550.db2.gz GIIIRYQBXQWSJM-GWCFXTLKSA-N 1 0 301.383 1.652 50 0 DDAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)[C@H](C)O)CC1 ZINC000095964821 407217649 /nfs/dbraw/zinc/21/76/49/407217649.db2.gz HJLDZAIPEZMCHV-HOTGVXAUSA-N 1 0 319.449 1.629 50 0 DDAARO O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1 ZINC000096424601 407264113 /nfs/dbraw/zinc/26/41/13/407264113.db2.gz PNEZMHVPQUJVCS-HNNXBMFYSA-N 1 0 303.406 1.279 50 0 DDAARO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000096474034 407270520 /nfs/dbraw/zinc/27/05/20/407270520.db2.gz WFHPTLVDWRNTPR-CYBMUJFWSA-N 1 0 301.394 1.785 50 0 DDAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097051799 407276953 /nfs/dbraw/zinc/27/69/53/407276953.db2.gz ZNJJXOMLSBMEFF-CYBMUJFWSA-N 1 0 307.419 1.682 50 0 DDAARO CS(=O)(=O)N[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000097103064 407280687 /nfs/dbraw/zinc/28/06/87/407280687.db2.gz HVIOBVXTXIBXQO-GFCCVEGCSA-N 1 0 323.393 1.892 50 0 DDAARO CN1CCC2(CC1)CN(C(=O)C[C@H]1CCCC1=O)CCC[N@@H+]2C ZINC000067713738 407281739 /nfs/dbraw/zinc/28/17/39/407281739.db2.gz 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Cc1nnc([C@H]2CN(C[C@@H](O)c3ccccc3F)CCO2)[nH]1 ZINC000229916080 407676597 /nfs/dbraw/zinc/67/65/97/407676597.db2.gz RLHFAABGWUTXLB-ZIAGYGMSSA-N 1 0 306.341 1.359 50 0 DDAARO Cc1n[nH]cc1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186613819 407719557 /nfs/dbraw/zinc/71/95/57/407719557.db2.gz BLTBCDMTKGZSKS-HNNXBMFYSA-N 1 0 313.405 1.898 50 0 DDAARO C[NH+](C)C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000229517290 407665628 /nfs/dbraw/zinc/66/56/28/407665628.db2.gz IXZMVAPZLZASIX-SWLSCSKDSA-N 1 0 300.349 1.261 50 0 DDAARO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119016957 407976725 /nfs/dbraw/zinc/97/67/25/407976725.db2.gz FFWCEXXBWZHEOQ-JKSUJKDBSA-N 1 0 315.417 1.929 50 0 DDAARO CN1CC[N@H+](C)[C@H](CC(=O)NCCCCc2ccccn2)C1 ZINC000244724184 407934868 /nfs/dbraw/zinc/93/48/68/407934868.db2.gz MPGYEAIVHVLBBA-MRXNPFEDSA-N 1 0 304.438 1.156 50 0 DDAARO Cc1ncsc1CCN(C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244748727 407938014 /nfs/dbraw/zinc/93/80/14/407938014.db2.gz ONFGCSCKSLCBDA-HAQNSBGRSA-N 1 0 320.466 1.459 50 0 DDAARO COc1ccc(F)cc1[C@@H](NC(=O)C1([NH3+])CC1)[C@H]1C[C@@H](O)C1 ZINC000244816963 407941976 /nfs/dbraw/zinc/94/19/76/407941976.db2.gz SRUGTFOAPOWKDD-PXWWUCIGSA-N 1 0 308.353 1.254 50 0 DDAARO Cc1cccnc1CN(C)C(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000244872843 407942729 /nfs/dbraw/zinc/94/27/29/407942729.db2.gz WFLBVNQVFQTSIV-HNNXBMFYSA-N 1 0 305.422 1.849 50 0 DDAARO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC[NH2+]C2)cc1OC ZINC000150870040 408215542 /nfs/dbraw/zinc/21/55/42/408215542.db2.gz YPERJPPXEIUISF-UONOGXRCSA-N 1 0 304.390 1.977 50 0 DDAARO Cc1sc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc1-c1ccc(F)cc1 ZINC000269201870 408232001 /nfs/dbraw/zinc/23/20/01/408232001.db2.gz ZUOVLMVSKYLEGH-NEPJUHHUSA-N 1 0 321.377 1.919 50 0 DDAARO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000165277824 162159003 /nfs/dbraw/zinc/15/90/03/162159003.db2.gz XYYDIVPVAAPSEX-KBPBESRZSA-N 1 0 316.405 1.319 50 0 DDAARO CC(C)c1noc([C@@H](C)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000171591176 162227421 /nfs/dbraw/zinc/22/74/21/162227421.db2.gz KOABDIUEQDFQOX-KGLIPLIRSA-N 1 0 308.426 1.908 50 0 DDAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000248082525 408533654 /nfs/dbraw/zinc/53/36/54/408533654.db2.gz APFXFVVMAXHYED-FSDCSDTHSA-N 1 0 322.453 1.027 50 0 DDAARO CO[C@H]1C[N@H+](C[C@H](O)CN2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734696 408626583 /nfs/dbraw/zinc/62/65/83/408626583.db2.gz MKRAFFRSKJUYER-XABIJQAGSA-N 1 0 314.470 1.061 50 0 DDAARO C[N@H+](CCCCC1CCOCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000252482315 408797138 /nfs/dbraw/zinc/79/71/38/408797138.db2.gz DCVIKTRKIVOJBZ-HNNXBMFYSA-N 1 0 303.468 1.950 50 0 DDAARO CCCc1cc(CNC(=O)CC[N@H+](C)[C@H]2CCN(C)C2)on1 ZINC000252505510 408802518 /nfs/dbraw/zinc/80/25/18/408802518.db2.gz VSBCJHZGBMZPLX-AWEZNQCLSA-N 1 0 308.426 1.269 50 0 DDAARO CN(Cc1nc2ccccc2n1C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237252179 163374126 /nfs/dbraw/zinc/37/41/26/163374126.db2.gz JJNSQHFWQSECFQ-KRWDZBQOSA-N 1 0 300.406 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC000176996762 539230040 /nfs/dbraw/zinc/23/00/40/539230040.db2.gz AMLFNSAJAYJMHA-LLVKDONJSA-N 1 0 318.377 1.381 50 0 DDAARO CCOc1ccc(/C=C\C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000255072170 282230285 /nfs/dbraw/zinc/23/02/85/282230285.db2.gz QNJWKXNXERMSPX-IQCBXXCUSA-N 1 0 304.390 1.927 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000095402479 185354502 /nfs/dbraw/zinc/35/45/02/185354502.db2.gz HJAATLDMCLVATI-NUEKZKHPSA-N 1 0 311.470 1.774 50 0 DDAARO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000095420281 185360104 /nfs/dbraw/zinc/36/01/04/185360104.db2.gz CSPHCIFMPKKURB-JKSUJKDBSA-N 1 0 303.450 1.932 50 0 DDAARO C[C@@H]1C[N@@H+](CC2CCN(Cc3cn(C)nn3)CC2)C[C@H](C)O1 ZINC000095445416 185367398 /nfs/dbraw/zinc/36/73/98/185367398.db2.gz RNHWHVJEMWHHKJ-OKILXGFUSA-N 1 0 307.442 1.136 50 0 DDAARO CC[C@@H]1CN(C(=O)C[NH2+][C@@H](C)[C@H](C)n2cc(C)cn2)CCO1 ZINC000106845597 185455347 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C[NH+](C)[C@@H]1CCCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000072137171 191045888 /nfs/dbraw/zinc/04/58/88/191045888.db2.gz PRDNGEHZAPEKIU-OAHLLOKOSA-N 1 0 305.422 1.467 50 0 DDAARO CN(CC[NH+](C)C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 ZINC000072143808 191049640 /nfs/dbraw/zinc/04/96/40/191049640.db2.gz AKBSRWBWNJWBOJ-JXMROGBWSA-N 1 0 313.405 1.625 50 0 DDAARO Cc1nccc(N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)n1 ZINC000072141944 191049678 /nfs/dbraw/zinc/04/96/78/191049678.db2.gz JACBLZGHPYCOQC-SJORKVTESA-N 1 0 310.401 1.698 50 0 DDAARO COc1cc(Cl)cc(C(=O)NC[C@@]2(O)CCC[NH2+]CC2)c1 ZINC000072156227 191059355 /nfs/dbraw/zinc/05/93/55/191059355.db2.gz SIYIYZXYFLNYST-OAHLLOKOSA-N 1 0 312.797 1.583 50 0 DDAARO CC(=O)NCC[C@H]1CCCCN1Cc1nc(C(F)(F)F)no1 ZINC000072166733 191066916 /nfs/dbraw/zinc/06/69/16/191066916.db2.gz QKYUNMKLUCXASH-SNVBAGLBSA-N 1 0 320.315 1.969 50 0 DDAARO Cc1cnn(CC[NH2+]CCCOc2ccc3c(c2)OCO3)c1 ZINC000072253155 191087838 /nfs/dbraw/zinc/08/78/38/191087838.db2.gz ITJUGYQCTXHKFZ-UHFFFAOYSA-N 1 0 303.362 1.979 50 0 DDAARO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000072314529 191120863 /nfs/dbraw/zinc/12/08/63/191120863.db2.gz JJPGVQQNGPEPOB-AWEZNQCLSA-N 1 0 317.433 1.634 50 0 DDAARO COC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000072406957 191152723 /nfs/dbraw/zinc/15/27/23/191152723.db2.gz HCAHXAMGPFCRLM-AWEZNQCLSA-N 1 0 304.390 1.632 50 0 DDAARO Cc1ccc([C@@H]2SCC(=O)N2CCN2CCOCC2)cc1 ZINC000019898637 352169786 /nfs/dbraw/zinc/16/97/86/352169786.db2.gz RBWGMCLXCPBKQZ-INIZCTEOSA-N 1 0 306.431 1.901 50 0 DDAARO Cc1cccc2cc(CO)c(N3CC[C@](O)(C[NH+](C)C)C3)nc12 ZINC000072429115 191162962 /nfs/dbraw/zinc/16/29/62/191162962.db2.gz VOUCLYHDSXUHHT-SFHVURJKSA-N 1 0 315.417 1.538 50 0 DDAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cnn(C)c1)CC2 ZINC000072440249 191167301 /nfs/dbraw/zinc/16/73/01/191167301.db2.gz BNFQXNQRYBQUSX-HNNXBMFYSA-N 1 0 320.437 1.571 50 0 DDAARO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC000068431046 353111561 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CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C)CC1 ZINC000076055228 353394700 /nfs/dbraw/zinc/39/47/00/353394700.db2.gz GMAZMMNEYLWPEP-YOEHRIQHSA-N 1 0 302.422 1.066 50 0 DDAARO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000076058387 353395691 /nfs/dbraw/zinc/39/56/91/353395691.db2.gz LGPHCKVWBFYXSQ-GWCFXTLKSA-N 1 0 314.455 1.309 50 0 DDAARO CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000078789158 353532488 /nfs/dbraw/zinc/53/24/88/353532488.db2.gz XPPCCRRCVRENJJ-DLBZAZTESA-N 1 0 318.417 1.757 50 0 DDAARO COc1cccc2c1OC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)C2 ZINC000078894555 353538014 /nfs/dbraw/zinc/53/80/14/353538014.db2.gz PMWXJEQUOTVXHZ-BPLDGKMQSA-N 1 0 318.417 1.655 50 0 DDAARO C[C@@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000078898921 353538559 /nfs/dbraw/zinc/53/85/59/353538559.db2.gz CLBKOMSYLPQFFF-KCJUWKMLSA-N 1 0 306.790 1.708 50 0 DDAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccccc1OC ZINC000003376502 181012960 /nfs/dbraw/zinc/01/29/60/181012960.db2.gz RLVQGGQZJLRUCB-UHFFFAOYSA-N 1 0 300.424 1.705 50 0 DDAARO CC[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC000097372931 353918992 /nfs/dbraw/zinc/91/89/92/353918992.db2.gz FMCBXPRBNGBFKV-HNNXBMFYSA-N 1 0 324.856 1.719 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](C)Cn1cccn1 ZINC000106779491 353941642 /nfs/dbraw/zinc/94/16/42/353941642.db2.gz ACICLOMFQLNYRQ-OAGGEKHMSA-N 1 0 304.438 1.995 50 0 DDAARO CCOc1cc2c(cc1C[NH2+]C[C@H]1CN(C)CCO1)O[C@@H](C)C2 ZINC000106905616 353942653 /nfs/dbraw/zinc/94/26/53/353942653.db2.gz QVQHTZZJZBTDHK-BBRMVZONSA-N 1 0 320.433 1.829 50 0 DDAARO O[C@@H]1CCCC[C@@H]1[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000004299462 181094176 /nfs/dbraw/zinc/09/41/76/181094176.db2.gz VNNCPRMYHRGUQU-VHSXEESVSA-N 1 0 304.316 1.800 50 0 DDAARO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 ZINC000163190674 354247096 /nfs/dbraw/zinc/24/70/96/354247096.db2.gz NOBFQGPMBKPHPR-JVXZTZIISA-N 1 0 304.724 1.806 50 0 DDAARO Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCCS1(=O)=O)[C@@H](C)C2 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DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237184419 202179863 /nfs/dbraw/zinc/17/98/63/202179863.db2.gz FXRXREULRGADSF-CYBMUJFWSA-N 1 0 307.369 1.235 50 0 DDAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187741718 200152102 /nfs/dbraw/zinc/15/21/02/200152102.db2.gz RZIPNJZJXWKLPI-CLWVCHIJSA-N 1 0 304.390 1.352 50 0 DDAARO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)oc1C ZINC000237729757 202341006 /nfs/dbraw/zinc/34/10/06/202341006.db2.gz SZHSYTWQYGZVNT-ZIAGYGMSSA-N 1 0 306.410 1.063 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000237844153 202368636 /nfs/dbraw/zinc/36/86/36/202368636.db2.gz PANYJIFEQLGKDW-NSHDSACASA-N 1 0 303.387 1.895 50 0 DDAARO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000237894938 202382217 /nfs/dbraw/zinc/38/22/17/202382217.db2.gz GPJOJLNGAWIZBF-ZFWWWQNUSA-N 1 0 303.406 1.267 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000237399352 296024107 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/nfs/dbraw/zinc/99/16/82/406991682.db2.gz CPXULKWSDYKSGL-UHFFFAOYSA-N 1 0 308.407 1.188 50 0 DDAARO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000084686225 407093033 /nfs/dbraw/zinc/09/30/33/407093033.db2.gz DFKJLPXXNXAPEF-ZNMIVQPWSA-N 1 0 310.438 1.576 50 0 DDAARO CCOc1ccnc(N2CCC[N@H+](CCn3cccn3)CC2)n1 ZINC000089272210 407128242 /nfs/dbraw/zinc/12/82/42/407128242.db2.gz FUKCAFGUQNXWMD-UHFFFAOYSA-N 1 0 316.409 1.284 50 0 DDAARO C[N@H+](CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000089335448 407131867 /nfs/dbraw/zinc/13/18/67/407131867.db2.gz TWIQZAVDOFUISV-INIZCTEOSA-N 1 0 315.417 1.561 50 0 DDAARO Cc1cc(C)cc(OCC[N@@H+](C)C[C@H](O)Cn2cccn2)c1 ZINC000051500569 407140032 /nfs/dbraw/zinc/14/00/32/407140032.db2.gz RMIHREKLQFYGNS-INIZCTEOSA-N 1 0 303.406 1.872 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1C(F)(F)F ZINC000054000360 407177072 /nfs/dbraw/zinc/17/70/72/407177072.db2.gz NMWNIZDCCZCZGT-VIFPVBQESA-N 1 0 304.316 1.653 50 0 DDAARO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1 ZINC000091768765 407182928 /nfs/dbraw/zinc/18/29/28/407182928.db2.gz FXNVNAJVBBUDDQ-OCCSQVGLSA-N 1 0 314.455 1.032 50 0 DDAARO CC1(C)CC(NC(=O)c2ccc3nnnn3c2)CC(C)(C)[NH2+]1 ZINC000096223555 407252861 /nfs/dbraw/zinc/25/28/61/407252861.db2.gz JVQHWASAKXXQMF-UHFFFAOYSA-N 1 0 302.382 1.163 50 0 DDAARO CC[N@H+](CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CC1 ZINC000096402823 407259466 /nfs/dbraw/zinc/25/94/66/407259466.db2.gz JFZFBYCUFLYENM-CQSZACIVSA-N 1 0 307.438 1.236 50 0 DDAARO CCCC(=O)N1CCC(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000055377962 407201859 /nfs/dbraw/zinc/20/18/59/407201859.db2.gz MCDHREWOACOIGZ-HNNXBMFYSA-N 1 0 323.481 1.873 50 0 DDAARO C[C@H]([C@H](C)[NH2+]C1CCN(CC(F)F)CC1)N1CCOCC1 ZINC000095421983 407213314 /nfs/dbraw/zinc/21/33/14/407213314.db2.gz FRUQLBIGMUOKLW-QWHCGFSZSA-N 1 0 305.413 1.415 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000095478028 407214470 /nfs/dbraw/zinc/21/44/70/407214470.db2.gz MILHUWPTMBRQRI-CYBMUJFWSA-N 1 0 313.401 1.753 50 0 DDAARO C[NH+](C)CCOCCNC(=O)Nc1ccccc1OC(F)F ZINC000095943853 407216450 /nfs/dbraw/zinc/21/64/50/407216450.db2.gz IIHIJRNTKPHIFI-UHFFFAOYSA-N 1 0 317.336 1.988 50 0 DDAARO Cc1nn2cccnc2c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000095956804 407216920 /nfs/dbraw/zinc/21/69/20/407216920.db2.gz ZPVYYTQXOVRVLZ-UHFFFAOYSA-N 1 0 315.421 1.984 50 0 DDAARO C[C@H](C(=O)N1CCC(C2OCCO2)CC1)[NH+]1CCCCCC1 ZINC000095962362 407217809 /nfs/dbraw/zinc/21/78/09/407217809.db2.gz LAYRTNKTISFLJM-CQSZACIVSA-N 1 0 310.438 1.862 50 0 DDAARO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000095975031 407219131 /nfs/dbraw/zinc/21/91/31/407219131.db2.gz JKORMYSATIEDDK-DOTOQJQBSA-N 1 0 323.481 1.288 50 0 DDAARO O=C(Cn1cncn1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058341529 407220153 /nfs/dbraw/zinc/22/01/53/407220153.db2.gz YOJXENLPDBLHGY-MRXNPFEDSA-N 1 0 313.405 1.449 50 0 DDAARO O[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(F)cc1F ZINC000058307285 407220181 /nfs/dbraw/zinc/22/01/81/407220181.db2.gz BRXKJUJSJKYJJY-QMTHXVAHSA-N 1 0 308.332 1.526 50 0 DDAARO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCCN2CC[NH+](C)CC2)o1 ZINC000096157853 407241658 /nfs/dbraw/zinc/24/16/58/407241658.db2.gz WSWGPXSGMFJTPF-DURLZJIISA-N 1 0 317.433 1.780 50 0 DDAARO Cc1cc(N2CCC[C@H](Cn3ccnc3)C2)nc(N(C)C)[nH+]1 ZINC000065374324 407243686 /nfs/dbraw/zinc/24/36/86/407243686.db2.gz DEFHNUSQYDLWHA-CQSZACIVSA-N 1 0 300.410 1.964 50 0 DDAARO Cc1nc(CNCc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000065613438 407245686 /nfs/dbraw/zinc/24/56/86/407245686.db2.gz HVZUCIQFJFOOGG-UHFFFAOYSA-N 1 0 317.462 1.888 50 0 DDAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@H]12 ZINC000101844320 407316265 /nfs/dbraw/zinc/31/62/65/407316265.db2.gz NKSYKKIMVIFTKW-QKDCVEJESA-N 1 0 314.389 1.404 50 0 DDAARO COC(=O)N1CCC([NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000066989545 407265386 /nfs/dbraw/zinc/26/53/86/407265386.db2.gz UMSZLXVJWJRNLP-UHFFFAOYSA-N 1 0 302.378 1.894 50 0 DDAARO Cc1ccc(NC(=O)Nc2cnn(C[C@H](O)C[NH+](C)C)c2)s1 ZINC000096441315 407266605 /nfs/dbraw/zinc/26/66/05/407266605.db2.gz RIOXOWUQSQVUFM-GFCCVEGCSA-N 1 0 323.422 1.820 50 0 DDAARO C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096497184 407273433 /nfs/dbraw/zinc/27/34/33/407273433.db2.gz BGVBGLSEVHRDJI-OLZOCXBDSA-N 1 0 309.414 1.656 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)CC2 ZINC000097021063 407275360 /nfs/dbraw/zinc/27/53/60/407275360.db2.gz LCYBNINSTNTRJC-DOMZBBRYSA-N 1 0 311.447 1.965 50 0 DDAARO COC(=O)c1cc(C[NH2+][C@H]2CCc3nc(C)cn3C2)oc1C ZINC000097034405 407276106 /nfs/dbraw/zinc/27/61/06/407276106.db2.gz GGFAHXBZARIGRX-LBPRGKRZSA-N 1 0 303.362 1.984 50 0 DDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCOC3)cnn2c1 ZINC000067559095 407276579 /nfs/dbraw/zinc/27/65/79/407276579.db2.gz AGFAZRLKLJLRKB-CYBMUJFWSA-N 1 0 317.393 1.090 50 0 DDAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)CN2CCOCC2)c(F)c1 ZINC000067604239 407277582 /nfs/dbraw/zinc/27/75/82/407277582.db2.gz UQRFYXYBCVSBEM-CYBMUJFWSA-N 1 0 309.385 1.383 50 0 DDAARO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(C)nn(C)c1OC)C2 ZINC000097084934 407279488 /nfs/dbraw/zinc/27/94/88/407279488.db2.gz UJTLNXDICKDJQN-LRDDRELGSA-N 1 0 307.394 1.512 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CC2 ZINC000067774176 407284431 /nfs/dbraw/zinc/28/44/31/407284431.db2.gz MVEAMUDINLCADE-AWEZNQCLSA-N 1 0 312.435 1.034 50 0 DDAARO COc1cccc(OCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000067784167 407284484 /nfs/dbraw/zinc/28/44/84/407284484.db2.gz ZETRDOVMLXUFGI-KRWDZBQOSA-N 1 0 304.390 1.676 50 0 DDAARO CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCc3nccn3C2)CC1 ZINC000097197575 407285623 /nfs/dbraw/zinc/28/56/23/407285623.db2.gz QGEQCMSBERNAKZ-HNNXBMFYSA-N 1 0 304.438 1.682 50 0 DDAARO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000097227605 407288245 /nfs/dbraw/zinc/28/82/45/407288245.db2.gz UTJYPAGSMHALPI-NUJGCVRESA-N 1 0 324.465 1.810 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000097376364 407292110 /nfs/dbraw/zinc/29/21/10/407292110.db2.gz XOAGADKGOVCTHX-UHFFFAOYSA-N 1 0 301.350 1.297 50 0 DDAARO C[C@@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000097380080 407292681 /nfs/dbraw/zinc/29/26/81/407292681.db2.gz LWYLFEIXHOJLIQ-WFASDCNBSA-N 1 0 321.396 1.733 50 0 DDAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1c[nH]c(=O)[nH]1 ZINC000067982212 407293451 /nfs/dbraw/zinc/29/34/51/407293451.db2.gz NSJSKZZJYILDBE-CQSZACIVSA-N 1 0 318.352 1.409 50 0 DDAARO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000068048911 407294350 /nfs/dbraw/zinc/29/43/50/407294350.db2.gz HFQOHCQKYAXMMO-IRXDYDNUSA-N 1 0 309.406 1.037 50 0 DDAARO C[N@@H+]1CCC[C@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000097660364 407301100 /nfs/dbraw/zinc/30/11/00/407301100.db2.gz IXOIHONNRUHACQ-INIZCTEOSA-N 1 0 302.418 1.981 50 0 DDAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C(C)C)C2=O)cc1 ZINC000103857179 407344018 /nfs/dbraw/zinc/34/40/18/407344018.db2.gz KMEOUBCBKUSENQ-CYBMUJFWSA-N 1 0 304.346 1.493 50 0 DDAARO CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)N(C(=O)CCO)C2)CC1 ZINC000257173979 407480015 /nfs/dbraw/zinc/48/00/15/407480015.db2.gz AXLBDMCVUHCXAU-ZDUSSCGKSA-N 1 0 322.409 1.136 50 0 DDAARO O=C(N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1CO)c1cccc(F)c1 ZINC000257183327 407484972 /nfs/dbraw/zinc/48/49/72/407484972.db2.gz HJGCZJHPVIYUOQ-XJKSGUPXSA-N 1 0 322.380 1.027 50 0 DDAARO COc1ccc([C@@H](CC(=O)N2CC[C@@H](C[NH3+])C2)NC(C)=O)cc1 ZINC000178538696 407488487 /nfs/dbraw/zinc/48/84/87/407488487.db2.gz QZQFPUVZEUMWOH-XJKSGUPXSA-N 1 0 319.405 1.070 50 0 DDAARO CCc1[nH+]c(CN2CCO[C@@H](CC(=O)OC)C2)c2ccccn12 ZINC000170607068 407452910 /nfs/dbraw/zinc/45/29/10/407452910.db2.gz ZCZIYGSDGGOAJN-ZDUSSCGKSA-N 1 0 317.389 1.661 50 0 DDAARO Cn1cnc2c1nc(NCC[NH3+])nc2Nc1ccc(F)cc1 ZINC000170621903 407457237 /nfs/dbraw/zinc/45/72/37/407457237.db2.gz MRQRCXDGGWSTIA-UHFFFAOYSA-N 1 0 301.329 1.617 50 0 DDAARO OCC[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000229306902 407658874 /nfs/dbraw/zinc/65/88/74/407658874.db2.gz UVWHUAYBJIAMKZ-GOEBONIOSA-N 1 0 311.397 1.798 50 0 DDAARO Cc1nnc([C@@H]2CN(C[C@@H](O)c3ccccc3F)CCO2)[nH]1 ZINC000229916074 407676145 /nfs/dbraw/zinc/67/61/45/407676145.db2.gz RLHFAABGWUTXLB-KGLIPLIRSA-N 1 0 306.341 1.359 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000178982380 407683637 /nfs/dbraw/zinc/68/36/37/407683637.db2.gz NAZYXOFHOHXMEB-AWEZNQCLSA-N 1 0 320.408 1.942 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2-c2nc(C)no2)C1 ZINC000179001284 407688358 /nfs/dbraw/zinc/68/83/58/407688358.db2.gz DJMSQINYKVIMMN-LBPRGKRZSA-N 1 0 300.362 1.727 50 0 DDAARO CCOc1cc(/C=C/C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000179097369 407721671 /nfs/dbraw/zinc/72/16/71/407721671.db2.gz NVSRIDDFAPRHRO-IZPAUZPXSA-N 1 0 304.390 1.927 50 0 DDAARO O=C(NC[C@H](O)c1ccccc1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000153567290 407854041 /nfs/dbraw/zinc/85/40/41/407854041.db2.gz YLOQVHCXGQUYJP-SJORKVTESA-N 1 0 314.360 1.690 50 0 DDAARO COCCn1cncc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000244724041 407934430 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CCn1cnnc1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426503132 699155584 /nfs/dbraw/zinc/15/55/84/699155584.db2.gz IVQCZCZUNIFQCQ-UHFFFAOYSA-N 1 0 307.427 1.186 50 0 DDAARO O=C(NC[C@@H]1C[NH2+]Cc2ccccc21)[C@@H]1CCn2ccnc2C1 ZINC000888101002 709213666 /nfs/dbraw/zinc/21/36/66/709213666.db2.gz NGGHJTXUMDRAIZ-HIFRSBDPSA-N 1 0 310.401 1.449 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nncn2C)c1C ZINC000952969122 721529341 /nfs/dbraw/zinc/52/93/41/721529341.db2.gz PKRCRSBLEOYIHN-LBPRGKRZSA-N 1 0 319.434 1.809 50 0 DDAARO O=C1CC[C@H]([NH2+]Cc2cn3c(n2)SCC3)CCN1CC1CC1 ZINC000952971091 721529733 /nfs/dbraw/zinc/52/97/33/721529733.db2.gz IOMKFKIRVUUJFS-ZDUSSCGKSA-N 1 0 320.462 1.870 50 0 DDAARO CC[NH+](CC)CC(=O)Nc1ccc(NC(=O)COC)c(C)c1 ZINC000952973898 721530223 /nfs/dbraw/zinc/53/02/23/721530223.db2.gz PELVDVLKEKCSTC-UHFFFAOYSA-N 1 0 307.394 1.860 50 0 DDAARO CCCOCCN1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000952977008 721530846 /nfs/dbraw/zinc/53/08/46/721530846.db2.gz IMGXMMDGFVGXJA-UHFFFAOYSA-N 1 0 311.470 1.433 50 0 DDAARO c1ccc(N2CC[C@@H]([NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC000952976967 721530960 /nfs/dbraw/zinc/53/09/60/721530960.db2.gz NVFJQYPJXWRLIC-QGZVFWFLSA-N 1 0 309.417 1.878 50 0 DDAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(Oc2nn[nH]n2)cc1 ZINC000952990900 721533595 /nfs/dbraw/zinc/53/35/95/721533595.db2.gz MTYSCPRXUGUHGS-UHFFFAOYSA-N 1 0 316.365 1.807 50 0 DDAARO CC(=O)N1CC[C@@H]2C[N@H+](CCCc3ccccc3)C[C@]2(CO)C1 ZINC000675021068 737521529 /nfs/dbraw/zinc/52/15/29/737521529.db2.gz KYVVAIRVNUZPLK-RTBURBONSA-N 1 0 316.445 1.782 50 0 DDAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000823412748 758313525 /nfs/dbraw/zinc/31/35/25/758313525.db2.gz PXRPMMLRULBBRS-LLVKDONJSA-N 1 0 314.455 1.096 50 0 DDAARO CN1CCC([NH+]2CCC(CNC(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000823762221 758352298 /nfs/dbraw/zinc/35/22/98/758352298.db2.gz ATLYIMISNJAJRU-MRXNPFEDSA-N 1 0 323.481 1.335 50 0 DDAARO CN1CC[NH+](CC2(CNc3nnc4ccccn43)CC2)CC1 ZINC000823789080 758361783 /nfs/dbraw/zinc/36/17/83/758361783.db2.gz BUTZJIPOISJQSL-UHFFFAOYSA-N 1 0 300.410 1.169 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)Cc1cccc(F)c1F ZINC000827851101 759399438 /nfs/dbraw/zinc/39/94/38/759399438.db2.gz QRCNSXOSSPBVJJ-UHFFFAOYSA-N 1 0 305.328 1.861 50 0 DDAARO C[C@H](CCC(=O)NC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC000827989751 759438455 /nfs/dbraw/zinc/43/84/55/759438455.db2.gz KJWXZDSHGBBLQF-OAHLLOKOSA-N 1 0 311.470 1.478 50 0 DDAARO Cc1cccc(OCC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c1C ZINC000828711261 759748476 /nfs/dbraw/zinc/74/84/76/759748476.db2.gz WCKDJAPIRRBUID-MRXNPFEDSA-N 1 0 320.433 1.503 50 0 DDAARO CO[C@H](C)C[N@H+](C)Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000585084472 771931449 /nfs/dbraw/zinc/93/14/49/771931449.db2.gz PVIUXPKYPKXIDZ-OAHLLOKOSA-N 1 0 319.449 1.822 50 0 DDAARO CC(C)[C@H](C[NH+]1CCOCC1)Nc1ccnc2c1cnn2C ZINC000952845387 775568788 /nfs/dbraw/zinc/56/87/88/775568788.db2.gz GUTHKJDPXOUTSV-HNNXBMFYSA-N 1 0 303.410 1.737 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000952871805 775614336 /nfs/dbraw/zinc/61/43/36/775614336.db2.gz BUPLAXCBRXHDRK-UKRRQHHQSA-N 1 0 319.380 1.296 50 0 DDAARO COCC(=O)Nc1ccc(NC(=O)[C@@H](C)C[NH+](C)C)cc1OC ZINC000952873698 775622271 /nfs/dbraw/zinc/62/22/71/775622271.db2.gz YJLUWVCVSBAUAC-NSHDSACASA-N 1 0 323.393 1.416 50 0 DDAARO C[C@H](C1CC1)[N@@H+]1CCc2c(c(CN3CCOCC3)nn2C)C1 ZINC000409419779 878182056 /nfs/dbraw/zinc/18/20/56/878182056.db2.gz CAUNQKFGONINFP-CYBMUJFWSA-N 1 0 304.438 1.409 50 0 DDAARO CN1C(=O)C[C@@H](C(=O)NCCC[NH+](C)C)[C@H]1c1cccs1 ZINC000096181155 282086424 /nfs/dbraw/zinc/08/64/24/282086424.db2.gz BBPACNFCPSVLKF-RISCZKNCSA-N 1 0 309.435 1.335 50 0 DDAARO CN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000072309986 282091415 /nfs/dbraw/zinc/09/14/15/282091415.db2.gz MHIYCEVAOPQFSN-HNNXBMFYSA-N 1 0 319.405 1.438 50 0 DDAARO Cc1cccc(=O)n1CCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000095502296 185374956 /nfs/dbraw/zinc/37/49/56/185374956.db2.gz LQNOVDYYNGZILV-INIZCTEOSA-N 1 0 319.449 1.783 50 0 DDAARO C[NH2+]CC(=O)N1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426728248 290638609 /nfs/dbraw/zinc/63/86/09/290638609.db2.gz IXIAMXYBMUPSAV-GOSISDBHSA-N 1 0 321.465 1.627 50 0 DDAARO CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221966283 539265178 /nfs/dbraw/zinc/26/51/78/539265178.db2.gz MLCZLPACJAZPEL-KKUMJFAQSA-N 1 0 311.470 1.956 50 0 DDAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000221944385 539265227 /nfs/dbraw/zinc/26/52/27/539265227.db2.gz UPWXSSKOEWWWSR-FGTMMUONSA-N 1 0 320.433 1.729 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C1 ZINC000255423592 282256669 /nfs/dbraw/zinc/25/66/69/282256669.db2.gz WRIIQPKWKKMDPD-OUOZUETKSA-N 1 0 310.401 1.953 50 0 DDAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000095391197 185351370 /nfs/dbraw/zinc/35/13/70/185351370.db2.gz VBUXTXOHQVZRNX-RHSMWYFYSA-N 1 0 318.421 1.022 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1C ZINC000095394513 185352331 /nfs/dbraw/zinc/35/23/31/185352331.db2.gz RTOQTMOCFJMCPX-LBPRGKRZSA-N 1 0 300.424 1.655 50 0 DDAARO CCc1nncn1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000095423457 185361160 /nfs/dbraw/zinc/36/11/60/185361160.db2.gz YXDDSBSBVFCEOI-LBPRGKRZSA-N 1 0 302.378 1.963 50 0 DDAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(CCOc2cccc(Cl)c2)c1 ZINC000685943368 539567559 /nfs/dbraw/zinc/56/75/59/539567559.db2.gz VJFILGDLLMIEMX-LSDHHAIUSA-N 1 0 323.780 1.720 50 0 DDAARO Cc1cccc(CN2CCN(C(=O)[C@H]([NH3+])CC(C)C)CC2=O)c1 ZINC000071735844 191018479 /nfs/dbraw/zinc/01/84/79/191018479.db2.gz ZYUOVEBNCZKLEH-MRXNPFEDSA-N 1 0 317.433 1.539 50 0 DDAARO CN1CCN(C(=O)c2ccc(C[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000072126562 191043650 /nfs/dbraw/zinc/04/36/50/191043650.db2.gz SRNJUZNQMOVNKJ-MRXNPFEDSA-N 1 0 301.434 1.616 50 0 DDAARO Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000072144137 191051424 /nfs/dbraw/zinc/05/14/24/191051424.db2.gz COJFBAKFEYTRAS-ABAIWWIYSA-N 1 0 316.357 1.451 50 0 DDAARO c1cc2cc(CN3CCO[C@]4(C3)C[NH2+]CCOC4)ccc2[nH]1 ZINC000072151079 191055442 /nfs/dbraw/zinc/05/54/42/191055442.db2.gz UNAVLGLVRFMVNC-KRWDZBQOSA-N 1 0 301.390 1.359 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)no1 ZINC000072270588 191092610 /nfs/dbraw/zinc/09/26/10/191092610.db2.gz VNFPZNMKVRXQPC-LBPRGKRZSA-N 1 0 303.366 1.914 50 0 DDAARO CCOCC[NH+]1CCN(C[C@H](O)c2ccc(OC)cc2)CC1 ZINC000072279841 191101485 /nfs/dbraw/zinc/10/14/85/191101485.db2.gz HOKJSLXPBKOCHL-KRWDZBQOSA-N 1 0 308.422 1.383 50 0 DDAARO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000072294964 191111317 /nfs/dbraw/zinc/11/13/17/191111317.db2.gz OXUREVXHGQTXBK-MRXNPFEDSA-N 1 0 313.405 1.817 50 0 DDAARO C[NH+](C)CCCOC(=O)C[C@@](C)(O)[C@H]1CCOC(C)(C)C1 ZINC000002095078 352110802 /nfs/dbraw/zinc/11/08/02/352110802.db2.gz DOOPQZWBQGMYGP-XJKSGUPXSA-N 1 0 301.427 1.828 50 0 biogenic DDAARO Cc1nc2c(c(NCCCNc3cccnc3)n1)CC[NH2+]CC2 ZINC000072425820 191159216 /nfs/dbraw/zinc/15/92/16/191159216.db2.gz PALIUYNNCHKZBR-UHFFFAOYSA-N 1 0 312.421 1.782 50 0 DDAARO CCc1cc(NCC2([NH+](C)C)CCOCC2)n2nccc2n1 ZINC000072447616 191169061 /nfs/dbraw/zinc/16/90/61/191169061.db2.gz PCGNULPUFGHFEJ-UHFFFAOYSA-N 1 0 303.410 1.814 50 0 DDAARO OC1(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CCCCC1 ZINC000072448016 191170414 /nfs/dbraw/zinc/17/04/14/191170414.db2.gz RWXKYXSXJQIFJB-UHFFFAOYSA-N 1 0 315.421 1.935 50 0 DDAARO O=C(CCOCC(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269155 353195532 /nfs/dbraw/zinc/19/55/32/353195532.db2.gz SVZMNFCBKCABSR-NEPJUHHUSA-N 1 0 324.343 1.013 50 0 DDAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)CC2 ZINC000075603602 353370789 /nfs/dbraw/zinc/37/07/89/353370789.db2.gz VYBIHHQXXJYXLN-WHEQGISXSA-N 1 0 318.446 1.553 50 0 DDAARO CCOc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000078788416 353532230 /nfs/dbraw/zinc/53/22/30/353532230.db2.gz KNIHIRWNRSKGEV-DLBZAZTESA-N 1 0 318.417 1.757 50 0 DDAARO COc1ccc([C@H](O)C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000078788250 353532578 /nfs/dbraw/zinc/53/25/78/353532578.db2.gz BOGUMBYDFVAWCT-DLBZAZTESA-N 1 0 306.406 1.181 50 0 DDAARO CC(C)c1nncn1CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000073146213 191283550 /nfs/dbraw/zinc/28/35/50/191283550.db2.gz BNUWZLVCICBIAL-AWEZNQCLSA-N 1 0 307.442 1.782 50 0 DDAARO CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000097234916 353918832 /nfs/dbraw/zinc/91/88/32/353918832.db2.gz YJENEXFXAVONTA-CYBMUJFWSA-N 1 0 303.472 1.412 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 ZINC000163190801 354247125 /nfs/dbraw/zinc/24/71/25/354247125.db2.gz NOBFQGPMBKPHPR-JMCQJSRRSA-N 1 0 304.724 1.806 50 0 DDAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004279630 181092543 /nfs/dbraw/zinc/09/25/43/181092543.db2.gz UYQFCHQRLSEDSW-HNNXBMFYSA-N 1 0 307.390 1.945 50 0 DDAARO CC(C)C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000225477139 354317463 /nfs/dbraw/zinc/31/74/63/354317463.db2.gz SMAQVZRYGQQGMZ-CHWSQXEVSA-N 1 0 304.456 1.033 50 0 DDAARO C[C@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[C@H]([NH3+])c1ccccc1 ZINC000230456620 354326755 /nfs/dbraw/zinc/32/67/55/354326755.db2.gz CYUQJCKGOSBDPD-OBJOEFQTSA-N 1 0 312.435 1.214 50 0 DDAARO C[C@H](CCC(=O)NCc1cncn1C1CC1)[NH+]1CCOCC1 ZINC000584887402 354790478 /nfs/dbraw/zinc/79/04/78/354790478.db2.gz LYKJCHWTSMVHRV-CYBMUJFWSA-N 1 0 306.410 1.335 50 0 DDAARO COCC1(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)CCCC1 ZINC000584884650 354788772 /nfs/dbraw/zinc/78/87/72/354788772.db2.gz YHMMSRNPALVKKW-INIZCTEOSA-N 1 0 323.481 1.526 50 0 DDAARO Cc1ccnc(CC(=O)N2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000584885551 354789303 /nfs/dbraw/zinc/78/93/03/354789303.db2.gz YDEUOQOBEWBSKI-KRWDZBQOSA-N 1 0 305.422 1.095 50 0 DDAARO COCC[NH+]1CCC(C(=O)N(C)CC2(CO)CCCC2)CC1 ZINC000584885924 354789851 /nfs/dbraw/zinc/78/98/51/354789851.db2.gz IXNVNZXOIDVKBW-UHFFFAOYSA-N 1 0 312.454 1.356 50 0 DDAARO COC(=O)c1cc(O)cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000584898538 354798176 /nfs/dbraw/zinc/79/81/76/354798176.db2.gz CNJNVSLVFOSWJG-CYBMUJFWSA-N 1 0 306.362 1.345 50 0 DDAARO CC[N@@H+]1C[C@H](Nc2cc(-c3nc(C)no3)ccn2)[C@@H](OC)C1 ZINC000584903165 354801754 /nfs/dbraw/zinc/80/17/54/354801754.db2.gz KWLINTZJSBTSKL-STQMWFEESA-N 1 0 303.366 1.571 50 0 DDAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)C[C@H]12 ZINC000584903626 354801797 /nfs/dbraw/zinc/80/17/97/354801797.db2.gz ZPBPJFQTEREWBE-OSYLJGHBSA-N 1 0 310.401 1.956 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1n1cnc2c(C)cccc2c1=O ZINC000584893815 354795036 /nfs/dbraw/zinc/79/50/36/354795036.db2.gz WQGJDFQHZWDTCK-GJZGRUSLSA-N 1 0 301.390 1.985 50 0 DDAARO COCCn1cc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cn1 ZINC000076057604 191562954 /nfs/dbraw/zinc/56/29/54/191562954.db2.gz YMWQCCPSBSCXQL-GDBMZVCRSA-N 1 0 322.453 1.512 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000237057014 202137216 /nfs/dbraw/zinc/13/72/16/202137216.db2.gz SDJHBJBFQCFITL-KEDPEKRHSA-N 1 0 316.401 1.929 50 0 DDAARO C[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC[NH2+]1 ZINC000188374215 200236039 /nfs/dbraw/zinc/23/60/39/200236039.db2.gz IMPRGKXASUFVOS-CYBMUJFWSA-N 1 0 317.389 1.013 50 0 DDAARO Cc1nc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2ccccc2F)no1 ZINC000237782678 202353786 /nfs/dbraw/zinc/35/37/86/202353786.db2.gz VCWFTDBKFVNHBJ-JTNHKYCSSA-N 1 0 318.352 1.850 50 0 DDAARO [NH3+]CC1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000237813967 202360853 /nfs/dbraw/zinc/36/08/53/202360853.db2.gz FIORTKREHAOZNY-UHFFFAOYSA-N 1 0 319.380 1.763 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000237859472 202372726 /nfs/dbraw/zinc/37/27/26/202372726.db2.gz KZFGUFJQBGWAKG-FMKPAKJESA-N 1 0 310.438 1.691 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000237871161 202375911 /nfs/dbraw/zinc/37/59/11/202375911.db2.gz AVWVZAIQRUKEPB-GDBMZVCRSA-N 1 0 317.433 1.657 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 ZINC000237918895 202390952 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COCCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000016695793 182058293 /nfs/dbraw/zinc/05/82/93/182058293.db2.gz NEWPYVNRQIMDCQ-ZDUSSCGKSA-N 1 0 317.393 1.023 50 0 DDAARO COc1ccc(C(=O)O[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000019720253 182138608 /nfs/dbraw/zinc/13/86/08/182138608.db2.gz JCTYMVKSQDZVTE-CYBMUJFWSA-N 1 0 322.405 1.497 50 0 DDAARO Cc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2CCO)n1 ZINC000019788856 182149279 /nfs/dbraw/zinc/14/92/79/182149279.db2.gz WUDMYGSFUSLAQO-SFHVURJKSA-N 1 0 319.449 1.438 50 0 DDAARO CN(C)CC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000019872050 182159143 /nfs/dbraw/zinc/15/91/43/182159143.db2.gz VCQVQBNZVQLTLV-UHFFFAOYSA-N 1 0 307.438 1.631 50 0 DDAARO Cc1ccc(C[N@@H+]2CCN(Cc3cc[nH]n3)C[C@@H]2CCO)cc1 ZINC000020203572 182197394 /nfs/dbraw/zinc/19/73/94/182197394.db2.gz BMAGPPLQGPXMIZ-SFHVURJKSA-N 1 0 314.433 1.787 50 0 DDAARO C[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020818936 182248061 /nfs/dbraw/zinc/24/80/61/182248061.db2.gz 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/nfs/dbraw/zinc/03/71/74/534037174.db2.gz IITKWBVZLOOGHS-ARFHVFGLSA-N 1 0 318.417 1.906 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1S(C)(=O)=O ZINC000156707585 526102519 /nfs/dbraw/zinc/10/25/19/526102519.db2.gz PKXRQLQWKHGOQX-SMDDNHRTSA-N 1 0 324.446 1.598 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1S(C)(=O)=O ZINC000156707333 526102941 /nfs/dbraw/zinc/10/29/41/526102941.db2.gz PKXRQLQWKHGOQX-FZMZJTMJSA-N 1 0 324.446 1.598 50 0 DDAARO CCc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)o1 ZINC000012578565 696050785 /nfs/dbraw/zinc/05/07/85/696050785.db2.gz YGMUDEJNKDUJBQ-IAGOWNOFSA-N 1 0 308.422 1.234 50 0 DDAARO Cc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3C2)c1 ZINC000014742031 696056044 /nfs/dbraw/zinc/05/60/44/696056044.db2.gz HCPPDVAOUYDSMB-XHSDSOJGSA-N 1 0 313.401 1.059 50 0 DDAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2cccc3c2NCCC3)C1 ZINC000067967766 696365685 /nfs/dbraw/zinc/36/56/85/696365685.db2.gz UHLUBLFXOWUMPS-HNNXBMFYSA-N 1 0 317.433 1.885 50 0 DDAARO CO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)CC[C@H]1[NH3+] ZINC000071746850 696392593 /nfs/dbraw/zinc/39/25/93/696392593.db2.gz NSRBZRFDPPSQCO-MNOVXSKESA-N 1 0 304.316 1.524 50 0 DDAARO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000169782076 697345507 /nfs/dbraw/zinc/34/55/07/697345507.db2.gz PGLIPKUAPILXSG-MRXNPFEDSA-N 1 0 322.449 1.132 50 0 DDAARO OC[C@@]1([NH2+]Cc2cccc(OCc3ccccn3)c2)CCOC1 ZINC000184188445 697499982 /nfs/dbraw/zinc/49/99/82/697499982.db2.gz VSGYYCQFMDZHDF-SFHVURJKSA-N 1 0 314.385 1.902 50 0 DDAARO Cc1ncc(CO)c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000322518249 698735400 /nfs/dbraw/zinc/73/54/00/698735400.db2.gz RWJJGYAOGPKDET-OAHLLOKOSA-N 1 0 318.421 1.989 50 0 DDAARO C[C@@H](CCC(=O)NCc1nc(C(F)(F)F)n[nH]1)[NH+]1CCCC1 ZINC000426571639 699155528 /nfs/dbraw/zinc/15/55/28/699155528.db2.gz PIVIFDQEDKYVGW-VIFPVBQESA-N 1 0 319.331 1.704 50 0 DDAARO Cc1ccc(=O)n(CC2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000585501747 738647317 /nfs/dbraw/zinc/64/73/17/738647317.db2.gz KKSZWMIGEFEBJG-UHFFFAOYSA-N 1 0 305.422 1.690 50 0 DDAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000409420333 734896488 /nfs/dbraw/zinc/89/64/88/734896488.db2.gz AMABWOWGRSCGQK-MRXNPFEDSA-N 1 0 306.406 1.604 50 0 DDAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccoc2)C1)c1cnccn1 ZINC000828202273 759537870 /nfs/dbraw/zinc/53/78/70/759537870.db2.gz XRKRNIYURJAOMM-CYBMUJFWSA-N 1 0 300.362 1.712 50 0 DDAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccoc2)C1)c1cncnc1 ZINC000828202239 759537937 /nfs/dbraw/zinc/53/79/37/759537937.db2.gz PCGLAJGCNWPVAZ-CYBMUJFWSA-N 1 0 300.362 1.712 50 0 DDAARO CN(C)C(=O)c1cccc(NCCC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000828710965 759746833 /nfs/dbraw/zinc/74/68/33/759746833.db2.gz SFOOYWNPJBXWBT-AWEZNQCLSA-N 1 0 320.437 1.432 50 0 DDAARO O=C([C@@H]1CCCO1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581776354 761698243 /nfs/dbraw/zinc/69/82/43/761698243.db2.gz QFPSRKUKNTYDPE-KRWDZBQOSA-N 1 0 315.417 1.683 50 0 DDAARO CCc1ccc([C@H](O)C[NH2+]C2CCN(CCOC)CC2)cc1 ZINC000585081832 771927404 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ZINC000095517854 185376714 /nfs/dbraw/zinc/37/67/14/185376714.db2.gz KBQSAPSCIQGAAN-UHFFFAOYSA-N 1 0 304.394 1.897 50 0 DDAARO O=C(c1nc2ccccc2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083074054 185212882 /nfs/dbraw/zinc/21/28/82/185212882.db2.gz ZQDHXXPVQGZMQO-UHFFFAOYSA-N 1 0 314.389 1.500 50 0 DDAARO CCCS(=O)(=O)CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000089960362 185271956 /nfs/dbraw/zinc/27/19/56/185271956.db2.gz OASIHACFBKNKJA-DZGCQCFKSA-N 1 0 305.484 1.978 50 0 DDAARO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000095432104 185363414 /nfs/dbraw/zinc/36/34/14/185363414.db2.gz OOJDVEWSARYIJZ-LLVKDONJSA-N 1 0 308.835 1.115 50 0 DDAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000095431840 185363574 /nfs/dbraw/zinc/36/35/74/185363574.db2.gz UPWXSSKOEWWWSR-BZSNNMDCSA-N 1 0 320.433 1.729 50 0 DDAARO CN(CCC[NH2+]C1CCN(C(N)=O)CC1)c1cccc(F)c1 ZINC000095420797 185360516 /nfs/dbraw/zinc/36/05/16/185360516.db2.gz OGUUDYUEKRPSST-UHFFFAOYSA-N 1 0 308.401 1.785 50 0 DDAARO CC1CCC(C[NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000095449333 185368601 /nfs/dbraw/zinc/36/86/01/185368601.db2.gz MYTUVFFEGWSZIB-UHFFFAOYSA-N 1 0 304.456 1.064 50 0 DDAARO O=C(NCC(F)F)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000095450556 185368950 /nfs/dbraw/zinc/36/89/50/185368950.db2.gz ZCWRHRJJVONFEW-UHFFFAOYSA-N 1 0 312.360 1.886 50 0 DDAARO C[C@@H]1C[NH+](CCCCNc2nccn3cnnc23)C[C@@H](C)O1 ZINC000097019089 185397950 /nfs/dbraw/zinc/39/79/50/185397950.db2.gz VGVJOEFYEXPOFN-CHWSQXEVSA-N 1 0 304.398 1.426 50 0 DDAARO C[C@@]1(c2ccccc2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000169930778 197761896 /nfs/dbraw/zinc/76/18/96/197761896.db2.gz CAOOICZVXKTLJC-KRWDZBQOSA-N 1 0 301.390 1.940 50 0 DDAARO C[C@@H]([NH2+]Cc1nc([C@H]2COCCN2C)n[nH]1)C1CC(F)(F)C1 ZINC000685940762 539564245 /nfs/dbraw/zinc/56/42/45/539564245.db2.gz HRCJGWGFIJKSMN-MWLCHTKSSA-N 1 0 315.368 1.331 50 0 DDAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000083850974 192386939 /nfs/dbraw/zinc/38/69/39/192386939.db2.gz RUJFFXMIRMUOHP-HNNXBMFYSA-N 1 0 313.405 1.350 50 0 DDAARO CC(=O)N1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000084139559 192405758 /nfs/dbraw/zinc/40/57/58/192405758.db2.gz FFCYQGCBVLKKJW-CYBMUJFWSA-N 1 0 312.458 1.227 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000133704381 186008804 /nfs/dbraw/zinc/00/88/04/186008804.db2.gz YGHAASVTQQHDIZ-AWEZNQCLSA-N 1 0 304.390 1.601 50 0 DDAARO OC1CC[NH+](CCn2ccnc2-c2cccc3nonc32)CC1 ZINC000071750514 191022373 /nfs/dbraw/zinc/02/23/73/191022373.db2.gz WCNICAHXMFMGNW-UHFFFAOYSA-N 1 0 313.361 1.543 50 0 DDAARO COc1ccc(CCNC(=O)NC[C@H]2COCC[N@H+](C)C2)cc1 ZINC000072155921 191058881 /nfs/dbraw/zinc/05/88/81/191058881.db2.gz MXABSCBMECHIID-OAHLLOKOSA-N 1 0 321.421 1.115 50 0 DDAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1CCO[C@@H](CC[NH3+])C1 ZINC000072160923 191062827 /nfs/dbraw/zinc/06/28/27/191062827.db2.gz OAYSOCQIJGRUCP-NSHDSACASA-N 1 0 318.425 1.215 50 0 DDAARO CCOC(=O)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000072313051 191119960 /nfs/dbraw/zinc/11/99/60/191119960.db2.gz HFRRXJNQBYZLBP-UHFFFAOYSA-N 1 0 314.407 1.045 50 0 DDAARO Cc1cccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)c1 ZINC000002341076 352110641 /nfs/dbraw/zinc/11/06/41/352110641.db2.gz HUIVJABWRLZTAE-HOCLYGCPSA-N 1 0 316.401 1.864 50 0 DDAARO Cc1nccn1Cc1ccccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000072479721 191181858 /nfs/dbraw/zinc/18/18/58/191181858.db2.gz CFBZQTBJGQTCKG-OAHLLOKOSA-N 1 0 300.362 1.167 50 0 DDAARO O[C@]1(CNc2cc(-c3ccccc3)nc3ccnn32)CCC[NH2+]C1 ZINC000072480837 191180757 /nfs/dbraw/zinc/18/07/57/191180757.db2.gz UOGUVYGSNSAHLP-GOSISDBHSA-N 1 0 323.400 1.923 50 0 DDAARO CCn1nc2c(cc1=O)C[N@@H+](CCOc1ccc(F)cc1)CC2 ZINC000072302268 353198243 /nfs/dbraw/zinc/19/82/43/353198243.db2.gz WIUMOCYHSJOZFS-UHFFFAOYSA-N 1 0 317.364 1.839 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1nccn1C ZINC000076042808 353392471 /nfs/dbraw/zinc/39/24/71/353392471.db2.gz UGOIEJYFHYKSQB-XJKSGUPXSA-N 1 0 303.410 1.638 50 0 DDAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000076553140 353426220 /nfs/dbraw/zinc/42/62/20/353426220.db2.gz JTFOQRKBZCAHBR-AWEZNQCLSA-N 1 0 309.454 1.626 50 0 DDAARO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000078788706 353532754 /nfs/dbraw/zinc/53/27/54/353532754.db2.gz VXUKCDCMUKFTQK-HOTGVXAUSA-N 1 0 304.390 1.366 50 0 DDAARO COc1cccc2c1OC[C@H](C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)C2 ZINC000078894553 353537728 /nfs/dbraw/zinc/53/77/28/353537728.db2.gz PMWXJEQUOTVXHZ-CFVMTHIKSA-N 1 0 318.417 1.655 50 0 DDAARO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)o1 ZINC000083827822 353715265 /nfs/dbraw/zinc/71/52/65/353715265.db2.gz LNLBJCUKRSRHHZ-GJZGRUSLSA-N 1 0 321.421 1.696 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3ccccn3)C[C@@H]2C)CC1 ZINC000084714536 353726902 /nfs/dbraw/zinc/72/69/02/353726902.db2.gz ZYHZPZVAQRCULT-YJBOKZPZSA-N 1 0 316.449 1.109 50 0 DDAARO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000089869730 353780742 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Cn1cccc(C(=O)NCC[N@H+](C)CCc2ccccc2)c1=O ZINC000216297501 407494210 /nfs/dbraw/zinc/49/42/10/407494210.db2.gz JLTUQOPCAFUGGO-UHFFFAOYSA-N 1 0 313.401 1.290 50 0 DDAARO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000253429245 407448241 /nfs/dbraw/zinc/44/82/41/407448241.db2.gz CHOGAJIGEVFZHR-PBHICJAKSA-N 1 0 306.454 1.925 50 0 DDAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2nnnn2c1 ZINC000170622151 407457249 /nfs/dbraw/zinc/45/72/49/407457249.db2.gz QOXGZRZVWISVPL-JSGCOSHPSA-N 1 0 314.393 1.119 50 0 DDAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCC[N@@H+](C1CCCC1)C2 ZINC000218800999 407524837 /nfs/dbraw/zinc/52/48/37/407524837.db2.gz ZYTFRLWZWBVURW-QGZVFWFLSA-N 1 0 315.421 1.847 50 0 DDAARO COc1ccc(OC)c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000225511332 407595099 /nfs/dbraw/zinc/59/50/99/407595099.db2.gz ZUQMQBQYMYFQQF-KBPBESRZSA-N 1 0 308.422 1.591 50 0 DDAARO COc1cccc(COC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000229655950 407668009 /nfs/dbraw/zinc/66/80/09/407668009.db2.gz 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O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000192232306 408561814 /nfs/dbraw/zinc/56/18/14/408561814.db2.gz SRBFJMAPYQUSMB-MRXNPFEDSA-N 1 0 314.389 1.431 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)C1 ZINC000252498617 408800049 /nfs/dbraw/zinc/80/00/49/408800049.db2.gz RGEPVLGRNLCEKR-XJKCOSOUSA-N 1 0 311.426 1.311 50 0 DDAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250973354 408779702 /nfs/dbraw/zinc/77/97/02/408779702.db2.gz DDODBSNBMVSNLF-QWHCGFSZSA-N 1 0 312.435 1.752 50 0 DDAARO O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CO)C1CC1 ZINC000253410292 408815181 /nfs/dbraw/zinc/81/51/81/408815181.db2.gz NDWKVFDHHAKDMM-SWLSCSKDSA-N 1 0 310.344 1.284 50 0 DDAARO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000283293691 409129787 /nfs/dbraw/zinc/12/97/87/409129787.db2.gz YBRBCPVWOWDHRN-QGZVFWFLSA-N 1 0 318.465 1.716 50 0 DDAARO CS(=O)(=O)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332232368 409998480 /nfs/dbraw/zinc/99/84/80/409998480.db2.gz PLJSGFRKFLMVGB-AWEZNQCLSA-N 1 0 316.467 1.146 50 0 DDAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1CC(c1ccccc1)c1ccccc1 ZINC000299759288 410607633 /nfs/dbraw/zinc/60/76/33/410607633.db2.gz FQTOFHSUTJFKMB-HKUYNNGSSA-N 1 0 323.440 1.966 50 0 DDAARO COCC[N@@H+]1CCC[C@H](C(=O)N2Cc3cnc(C)cc3C2)C1 ZINC000299780768 410624386 /nfs/dbraw/zinc/62/43/86/410624386.db2.gz CQFAWBZAXGCELX-AWEZNQCLSA-N 1 0 303.406 1.591 50 0 DDAARO Cn1cc(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC000299796585 410634875 /nfs/dbraw/zinc/63/48/75/410634875.db2.gz PLIMWLSXZOLFAJ-AWEZNQCLSA-N 1 0 315.417 1.829 50 0 DDAARO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cncs1 ZINC000356092545 410829092 /nfs/dbraw/zinc/82/90/92/410829092.db2.gz IWDBVNSAYDUFNG-UHFFFAOYSA-N 1 0 310.467 1.633 50 0 DDAARO Cc1c(C(=O)N2CCCC[C@@H]2C[NH3+])cccc1N1CCNC1=O ZINC000130867231 196117851 /nfs/dbraw/zinc/11/78/51/196117851.db2.gz IKEMHPKAIORLTG-CYBMUJFWSA-N 1 0 316.405 1.478 50 0 DDAARO Cc1c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cnn1C ZINC000044911276 418431586 /nfs/dbraw/zinc/43/15/86/418431586.db2.gz OTAOPFFWOLVLLK-CQSZACIVSA-N 1 0 306.410 1.055 50 0 DDAARO CC[NH+]1CCN(c2ncc3c(=O)n(-c4ccccc4)cc-3[nH]2)CC1 ZINC000046088852 418445193 /nfs/dbraw/zinc/44/51/93/418445193.db2.gz UFOYORNBAZKYSH-UHFFFAOYSA-N 1 0 323.400 1.779 50 0 DDAARO C[N@@H+]1CCC[C@](O)(CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046087409 418445522 /nfs/dbraw/zinc/44/55/22/418445522.db2.gz UDVNNKZCOYQKFI-QGZVFWFLSA-N 1 0 307.413 1.404 50 0 DDAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+](C)C)C1 ZINC000046194711 418446458 /nfs/dbraw/zinc/44/64/58/418446458.db2.gz UNOJEIJJWGAPDC-LSDHHAIUSA-N 1 0 311.470 1.583 50 0 DDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000049971529 418478962 /nfs/dbraw/zinc/47/89/62/418478962.db2.gz GVUYGDSCZDZJHR-HIFRSBDPSA-N 1 0 307.438 1.365 50 0 DDAARO O=C(NCCO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108497541 418500349 /nfs/dbraw/zinc/50/03/49/418500349.db2.gz MJMVORMDOFWUID-IXDOHACOSA-N 1 0 317.433 1.579 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000048355661 418471023 /nfs/dbraw/zinc/47/10/23/418471023.db2.gz NYEQVVWBBSTWRA-AWEZNQCLSA-N 1 0 321.421 1.590 50 0 DDAARO Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cn1 ZINC000257365731 418567652 /nfs/dbraw/zinc/56/76/52/418567652.db2.gz JBHLTQHFKHWTOW-JONQDZQNSA-N 1 0 302.422 1.609 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1C ZINC000257366010 418568305 /nfs/dbraw/zinc/56/83/05/418568305.db2.gz FYQQGXQNMFIZJO-ZWNOBZJWSA-N 1 0 312.435 1.540 50 0 DDAARO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCN(C)C2=O)c2cccs2)CCO1 ZINC000242178774 222212443 /nfs/dbraw/zinc/21/24/43/222212443.db2.gz XATYVKAARWBWNL-HZSPNIEDSA-N 1 0 323.462 1.330 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000242292493 222213401 /nfs/dbraw/zinc/21/34/01/222213401.db2.gz YMQWGRJHDJMUKY-UKRRQHHQSA-N 1 0 311.451 1.620 50 0 DDAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3Cc4ccccc4C3)nn2)CC1 ZINC000244678855 222213728 /nfs/dbraw/zinc/21/37/28/222213728.db2.gz ILLVGLQFDRIJMT-GASCZTMLSA-N 1 0 311.389 1.877 50 0 DDAARO C[N@@H+]1C[C@@H](NC(=O)[C@@H](O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000408513883 418806328 /nfs/dbraw/zinc/80/63/28/418806328.db2.gz YQGQRYZWHZTNDK-KURKYZTESA-N 1 0 310.397 1.934 50 0 DDAARO CC[C@@H](O)CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426436399 419468329 /nfs/dbraw/zinc/46/83/29/419468329.db2.gz CJGSKPIMYUFIOI-LLVKDONJSA-N 1 0 308.407 1.598 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC1CCN(c2ccc(F)cc2C)CC1 ZINC000426514500 228581666 /nfs/dbraw/zinc/58/16/66/228581666.db2.gz ALKXLZXIHWVVOD-RDJZCZTQSA-N 1 0 307.413 1.679 50 0 DDAARO Cc1cnc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000426521605 419497477 /nfs/dbraw/zinc/49/74/77/419497477.db2.gz ZIPMJQXUHIVASG-UHFFFAOYSA-N 1 0 312.377 1.212 50 0 DDAARO CN(C)c1ncc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000449669959 421054701 /nfs/dbraw/zinc/05/47/01/421054701.db2.gz INAJBLFDKAQFNI-WCBMZHEXSA-N 1 0 309.357 1.954 50 0 DDAARO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650769 422209415 /nfs/dbraw/zinc/20/94/15/422209415.db2.gz ASXYLTCIZZGCAK-KBPBESRZSA-N 1 0 313.405 1.804 50 0 DDAARO Cc1csc2nc(CN3CC[NH+](CCCF)CC3)cc(=O)n12 ZINC000585123550 422310561 /nfs/dbraw/zinc/31/05/61/422310561.db2.gz WDNRMYZSDCVNGC-UHFFFAOYSA-N 1 0 324.425 1.542 50 0 DDAARO Cn1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)n1 ZINC000585113916 422304705 /nfs/dbraw/zinc/30/47/05/422304705.db2.gz XDGIQJWXVFSFMK-CYBMUJFWSA-N 1 0 306.410 1.136 50 0 DDAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000075133239 274248109 /nfs/dbraw/zinc/24/81/09/274248109.db2.gz XJGILEPZVROFSI-UKRRQHHQSA-N 1 0 314.389 1.501 50 0 DDAARO O[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000082157207 275059200 /nfs/dbraw/zinc/05/92/00/275059200.db2.gz OLFOPTZWJURCCX-INIZCTEOSA-N 1 0 307.357 1.916 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000065578126 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CCOc1nccnc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000095460619 185370650 /nfs/dbraw/zinc/37/06/50/185370650.db2.gz OANPJUUHEJNGGA-CYBMUJFWSA-N 1 0 308.426 1.404 50 0 DDAARO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000299553456 530062362 /nfs/dbraw/zinc/06/23/62/530062362.db2.gz RAFVWTTWAJNKJJ-INIZCTEOSA-N 1 0 315.417 1.519 50 0 DDAARO COc1cc(C)c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455422 192370935 /nfs/dbraw/zinc/37/09/35/192370935.db2.gz SYBVRPFPGGRYMH-CVEARBPZSA-N 1 0 320.433 1.965 50 0 DDAARO c1n[nH]cc1O[C@@H]1COC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000685940562 539564970 /nfs/dbraw/zinc/56/49/70/539564970.db2.gz CZBSXPAHNATFMH-UONOGXRCSA-N 1 0 301.350 1.013 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)C1=C(C)CCC1)C2 ZINC000685941860 539565488 /nfs/dbraw/zinc/56/54/88/539565488.db2.gz COKQSMYZDMDXJQ-CYBMUJFWSA-N 1 0 303.410 1.359 50 0 DDAARO CC[C@H]1C[N@H+](CCOCCO)CCC(=O)N1Cc1ccccc1 ZINC000071763498 191027595 /nfs/dbraw/zinc/02/75/95/191027595.db2.gz 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c1cn(CCc2ccncc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072428715 191161309 /nfs/dbraw/zinc/16/13/09/191161309.db2.gz AFGUCEMILXYSOG-UHFFFAOYSA-N 1 0 308.389 1.878 50 0 DDAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000072437479 191166591 /nfs/dbraw/zinc/16/65/91/191166591.db2.gz LBJLJXBXJPFGRJ-UHFFFAOYSA-N 1 0 315.377 1.772 50 0 DDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3coc(C)n3)CC[C@H]21 ZINC000072447257 191168519 /nfs/dbraw/zinc/16/85/19/191168519.db2.gz OZPDQYUWMBBSJJ-DZGCQCFKSA-N 1 0 306.410 1.015 50 0 DDAARO O=C(c1c[nH]c(=O)cn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072479605 191178893 /nfs/dbraw/zinc/17/88/93/191178893.db2.gz LBRPNZOSQCWPHO-UHFFFAOYSA-N 1 0 318.402 1.180 50 0 DDAARO CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@H]([NH3+])C1 ZINC000065748307 352961419 /nfs/dbraw/zinc/96/14/19/352961419.db2.gz VSZGPKBBMSAYNT-QLFBSQMISA-N 1 0 312.410 1.285 50 0 in-vitro DDAARO COc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000072268915 353196016 /nfs/dbraw/zinc/19/60/16/353196016.db2.gz 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COc1ccccc1-c1nn(C)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237327437 202234030 /nfs/dbraw/zinc/23/40/30/202234030.db2.gz YMCOSPHXXRZLGC-LBPRGKRZSA-N 1 0 314.389 1.530 50 0 DDAARO Cc1cccc(-n2cc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])nn2)c1 ZINC000237389262 202251307 /nfs/dbraw/zinc/25/13/07/202251307.db2.gz RAFIPQMWDBJGAC-CJNGLKHVSA-N 1 0 313.405 1.918 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)CCn2cc(C)cn2)CC1 ZINC000089702477 192846028 /nfs/dbraw/zinc/84/60/28/192846028.db2.gz BSWUMTJBNUAIHJ-UHFFFAOYSA-N 1 0 308.426 1.056 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc(N3CCCNC3=O)c2)CC[NH2+]1 ZINC000237572980 202288816 /nfs/dbraw/zinc/28/88/16/202288816.db2.gz IRTVMIJFWFCCDK-LBPRGKRZSA-N 1 0 302.378 1.040 50 0 DDAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000237627136 202309139 /nfs/dbraw/zinc/30/91/39/202309139.db2.gz QMBLMCOHRQAMOU-JKIFEVAISA-N 1 0 317.433 1.469 50 0 DDAARO Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C2)no1 ZINC000237772468 202350441 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[NH3+][C@@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000237924261 202393452 /nfs/dbraw/zinc/39/34/52/202393452.db2.gz PANYJIFEQLGKDW-LLVKDONJSA-N 1 0 303.387 1.895 50 0 DDAARO Cc1ccc2cc(C[NH2+]CC3(C(N)=O)CCOCC3)ccc2n1 ZINC000189249576 200369630 /nfs/dbraw/zinc/36/96/30/200369630.db2.gz DYQNCQWDMHMPSW-UHFFFAOYSA-N 1 0 313.401 1.915 50 0 DDAARO O=C(C[NH+]1CCCC1)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091665756 193088579 /nfs/dbraw/zinc/08/85/79/193088579.db2.gz KWRJJCQLUSLQPY-GOSISDBHSA-N 1 0 319.449 1.476 50 0 DDAARO CCCc1cnc(C)nc1N1C[C@H](CO)[C@H](C[N@H+](C)CC)C1 ZINC000091678232 193090549 /nfs/dbraw/zinc/09/05/49/193090549.db2.gz OYRREPPSOMSNJQ-HZPDHXFCSA-N 1 0 306.454 1.734 50 0 DDAARO Cc1nccn1Cc1nnc(C2CC[NH+](C(C)C)CC2)n1C ZINC000091737907 193099622 /nfs/dbraw/zinc/09/96/22/193099622.db2.gz FPJZCBZUYYSRQK-UHFFFAOYSA-N 1 0 302.426 1.956 50 0 DDAARO Cc1ccc(F)cc1CC(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091746252 193100128 /nfs/dbraw/zinc/10/01/28/193100128.db2.gz STZICSAEZRKUAJ-YOEHRIQHSA-N 1 0 306.381 1.250 50 0 DDAARO Cc1nonc1CC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000216078262 201482016 /nfs/dbraw/zinc/48/20/16/201482016.db2.gz CPWQUGLADZWKPW-UHFFFAOYSA-N 1 0 315.377 1.281 50 0 DDAARO C[N@@H+](Cc1coc2ccccc12)C[C@@H](O)CN1CCOCC1 ZINC000093583227 193270267 /nfs/dbraw/zinc/27/02/67/193270267.db2.gz KDLJIHRTLXEKDC-OAHLLOKOSA-N 1 0 304.390 1.558 50 0 DDAARO CC[NH+]1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019372580 182121075 /nfs/dbraw/zinc/12/10/75/182121075.db2.gz LLYNFLPQYFSAKG-MRXNPFEDSA-N 1 0 312.841 1.855 50 0 DDAARO Cn1c[n+](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1 ZINC000019799867 182151993 /nfs/dbraw/zinc/15/19/93/182151993.db2.gz VFDCJYXYNVHQFO-UHFFFAOYSA-O 1 0 307.333 1.323 50 0 DDAARO CC[C@H](C)c1n[nH]c2c1CN(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000019866951 182157969 /nfs/dbraw/zinc/15/79/69/182157969.db2.gz CJSUWAPUIZGNGK-RYUDHWBXSA-N 1 0 306.410 1.186 50 0 DDAARO Brc1csc(C[NH2+]CCN2CCOCC2)c1 ZINC000020306037 182205238 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Cc1ccc(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269211 406875880 /nfs/dbraw/zinc/87/58/80/406875880.db2.gz SZZQVIIYMBVWPI-IRXDYDNUSA-N 1 0 302.418 1.975 50 0 DDAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C ZINC000014741298 406876203 /nfs/dbraw/zinc/87/62/03/406876203.db2.gz NJMUKWAXQACTBT-CYBMUJFWSA-N 1 0 311.426 1.406 50 0 DDAARO O=[S@@](CC[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000072253342 406876316 /nfs/dbraw/zinc/87/63/16/406876316.db2.gz LTHBSYKGMPGDKO-IVZQSRNASA-N 1 0 318.446 1.940 50 0 DDAARO O[C@H](C[NH2+]CCn1cccn1)CO[C@@H]1CCCc2ccccc21 ZINC000072254034 406876657 /nfs/dbraw/zinc/87/66/57/406876657.db2.gz LILPTWXYJDHBLD-SJLPKXTDSA-N 1 0 315.417 1.928 50 0 DDAARO C[NH+](C)Cc1ccccc1CNC(=O)CN1CCSC1=O ZINC000014701577 406876684 /nfs/dbraw/zinc/87/66/84/406876684.db2.gz OQBRUGIGQLZDKO-UHFFFAOYSA-N 1 0 307.419 1.533 50 0 DDAARO CC(C)N1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000019881645 406885708 /nfs/dbraw/zinc/88/57/08/406885708.db2.gz 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Cn1cc(/C=C/C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000044888978 407030955 /nfs/dbraw/zinc/03/09/55/407030955.db2.gz GEILKRJXRAVBNI-OZSKJFCKSA-N 1 0 310.401 1.824 50 0 DDAARO Cc1csc(=O)n1CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044934319 407034110 /nfs/dbraw/zinc/03/41/10/407034110.db2.gz YBTYJYRFKYHVCU-LBPRGKRZSA-N 1 0 309.435 1.209 50 0 DDAARO COCCCn1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000077504207 406993890 /nfs/dbraw/zinc/99/38/90/406993890.db2.gz UPJVVKFFCROIDQ-CQSZACIVSA-N 1 0 321.425 1.622 50 0 DDAARO Cc1cccn2c(C[NH2+]CC3(C(N)=O)CCOCC3)cnc12 ZINC000086250560 407109245 /nfs/dbraw/zinc/10/92/45/407109245.db2.gz KCTPBVCKNDVOBO-UHFFFAOYSA-N 1 0 302.378 1.014 50 0 DDAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000046939703 407066237 /nfs/dbraw/zinc/06/62/37/407066237.db2.gz OZECPDZCUVOQFL-KRWDZBQOSA-N 1 0 317.433 1.942 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)c1cccs1 ZINC000089312218 407130490 /nfs/dbraw/zinc/13/04/90/407130490.db2.gz 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ZINC000095350930 407208471 /nfs/dbraw/zinc/20/84/71/407208471.db2.gz KQYZVOYWGUUPAU-UHFFFAOYSA-N 1 0 313.348 1.940 50 0 DDAARO Cc1cc(C)c2c(ncnc2NCC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000095365501 407209833 /nfs/dbraw/zinc/20/98/33/407209833.db2.gz CACMRUYFQUMQGN-AWEZNQCLSA-N 1 0 315.421 1.900 50 0 DDAARO COCCCN1CC2(CC1=O)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000095383704 407212098 /nfs/dbraw/zinc/21/20/98/407212098.db2.gz XGXPHRYPWJCJCD-HNNXBMFYSA-N 1 0 310.438 1.374 50 0 DDAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000095954925 407217225 /nfs/dbraw/zinc/21/72/25/407217225.db2.gz SFCLQTADJGTGQN-GDBMZVCRSA-N 1 0 319.449 1.902 50 0 DDAARO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000095969097 407218499 /nfs/dbraw/zinc/21/84/99/407218499.db2.gz CZTJTLQJGCBVLH-XJKSGUPXSA-N 1 0 308.397 1.984 50 0 DDAARO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000095973135 407219179 /nfs/dbraw/zinc/21/91/79/407219179.db2.gz MZPVRDGGVFPBRY-CYBMUJFWSA-N 1 0 300.449 1.447 50 0 DDAARO COc1cccc2[nH]cc(CC(=O)N3CC[NH2+]C(C)(C)C3)c21 ZINC000095995250 407221696 /nfs/dbraw/zinc/22/16/96/407221696.db2.gz SIWIWMVDDVQRMM-UHFFFAOYSA-N 1 0 301.390 1.929 50 0 DDAARO CN(C)c1nc(N)cc(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000096140368 407240142 /nfs/dbraw/zinc/24/01/42/407240142.db2.gz JFPDBSHAUKYDBD-UHFFFAOYSA-N 1 0 318.469 1.827 50 0 DDAARO CNC(=O)[C@H]1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)C1 ZINC000065372391 407242958 /nfs/dbraw/zinc/24/29/58/407242958.db2.gz XHPVQNMZPHBYCD-ZDUSSCGKSA-N 1 0 303.410 1.348 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000096181176 407243657 /nfs/dbraw/zinc/24/36/57/407243657.db2.gz YUGARJLSXIBPGF-WFASDCNBSA-N 1 0 323.462 1.726 50 0 DDAARO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OC)cc2)c1 ZINC000066988919 407265642 /nfs/dbraw/zinc/26/56/42/407265642.db2.gz FTWJXWBXXBFCMD-UHFFFAOYSA-N 1 0 320.414 1.893 50 0 DDAARO Cc1ccc(/C=C/C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000096454799 407268961 /nfs/dbraw/zinc/26/89/61/407268961.db2.gz 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/nfs/dbraw/zinc/27/64/78/407276478.db2.gz AGFAZRLKLJLRKB-ZDUSSCGKSA-N 1 0 317.393 1.090 50 0 DDAARO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1noc2ccccc21 ZINC000097137373 407282383 /nfs/dbraw/zinc/28/23/83/407282383.db2.gz XMFPDHMZSMOSIQ-UHFFFAOYSA-N 1 0 323.418 1.685 50 0 DDAARO CSc1cncc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000097162947 407284054 /nfs/dbraw/zinc/28/40/54/407284054.db2.gz XZWJYSJOVMYVCG-CQSZACIVSA-N 1 0 321.494 1.805 50 0 DDAARO CN(Cc1cnn(-c2ccccc2)c1)c1cc(CC[NH3+])ncn1 ZINC000067774027 407284116 /nfs/dbraw/zinc/28/41/16/407284116.db2.gz BEMJUWGPABMBLM-UHFFFAOYSA-N 1 0 308.389 1.800 50 0 DDAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)CC2 ZINC000097199371 407286668 /nfs/dbraw/zinc/28/66/68/407286668.db2.gz GJZKWIJVRKRXJU-HNNXBMFYSA-N 1 0 323.404 1.487 50 0 DDAARO NC(=O)CC1CC[NH+](Cc2nc3ccccc3[nH]c2=O)CC1 ZINC000097201572 407286995 /nfs/dbraw/zinc/28/69/95/407286995.db2.gz CVNLETBVNNZFGS-UHFFFAOYSA-N 1 0 300.362 1.011 50 0 DDAARO Cc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCCC2)[nH+]1 ZINC000067843415 407287371 /nfs/dbraw/zinc/28/73/71/407287371.db2.gz IPYOLJNURMNNMR-UHFFFAOYSA-N 1 0 314.393 1.094 50 0 DDAARO CCN(CC[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1C ZINC000097230733 407288107 /nfs/dbraw/zinc/28/81/07/407288107.db2.gz HQCTVCZLBDOTNJ-OAHLLOKOSA-N 1 0 310.463 1.988 50 0 DDAARO O=C(NC1CCCCC1)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097301324 407291203 /nfs/dbraw/zinc/29/12/03/407291203.db2.gz LMOZIMSTXODPNV-CQSZACIVSA-N 1 0 309.454 1.713 50 0 DDAARO CCc1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)nc1 ZINC000067955495 407292427 /nfs/dbraw/zinc/29/24/27/407292427.db2.gz ZEFJRXRFKQMKSQ-CQSZACIVSA-N 1 0 323.462 1.548 50 0 DDAARO Cc1cc(CNC(=O)C2CC[NH+](C3CCCC3)CC2)n(C)n1 ZINC000097594815 407299589 /nfs/dbraw/zinc/29/95/89/407299589.db2.gz CFXNWNYJFNSTOA-UHFFFAOYSA-N 1 0 304.438 1.999 50 0 DDAARO C[N@H+](CCCC[NH+]1CCOCC1)Cc1cccc2nonc21 ZINC000215011966 407479557 /nfs/dbraw/zinc/47/95/57/407479557.db2.gz HXIDHVIZRBUWLO-UHFFFAOYSA-N 1 0 304.394 1.767 50 0 DDAARO CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000257189691 407487064 /nfs/dbraw/zinc/48/70/64/407487064.db2.gz JUFBDDXYHXHJMM-HNNXBMFYSA-N 1 0 321.465 1.768 50 0 DDAARO O=C(c1cc(Cl)ccc1O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000216389268 407495353 /nfs/dbraw/zinc/49/53/53/407495353.db2.gz ZYYXWOXWMDXLDZ-LBPRGKRZSA-N 1 0 309.797 1.165 50 0 DDAARO C[C@H](C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000170602987 407449566 /nfs/dbraw/zinc/44/95/66/407449566.db2.gz NMVQVFCWWGCSOL-DOMZBBRYSA-N 1 0 314.426 1.943 50 0 DDAARO CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000170606685 407451078 /nfs/dbraw/zinc/45/10/78/407451078.db2.gz WAIZNASVLCIKCI-UHFFFAOYSA-N 1 0 314.451 1.530 50 0 DDAARO CC(=O)NC[C@H]1CN(C[C@@H](O)c2cc(C)ccc2C)CCO1 ZINC000221808775 407551592 /nfs/dbraw/zinc/55/15/92/407551592.db2.gz ATZUCMQLSUHSMD-DOTOQJQBSA-N 1 0 306.406 1.174 50 0 DDAARO Cc1cc(=O)cc(C(=O)NCc2ccccc2C[NH+](C)C)o1 ZINC000222469944 407556621 /nfs/dbraw/zinc/55/66/21/407556621.db2.gz CNAIIGIHKNMSQV-UHFFFAOYSA-N 1 0 300.358 1.940 50 0 DDAARO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000225427347 407584008 /nfs/dbraw/zinc/58/40/08/407584008.db2.gz MQWMAIHMMVUZCX-SNVBAGLBSA-N 1 0 300.380 1.000 50 0 DDAARO CCN(CC)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000225480251 407589047 /nfs/dbraw/zinc/58/90/47/407589047.db2.gz YWGZUVUJJGJHRQ-KBPBESRZSA-N 1 0 310.442 1.028 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000225478481 407590988 /nfs/dbraw/zinc/59/09/88/407590988.db2.gz COZGRNVGLKAZTP-BDAKNGLRSA-N 1 0 322.352 1.852 50 0 DDAARO COc1cc(C(=O)NCc2cc[n+](C)cc2)cc(OC)c1OC ZINC000221272320 407544290 /nfs/dbraw/zinc/54/42/90/407544290.db2.gz XMZRYBZNWGXBCD-UHFFFAOYSA-O 1 0 317.365 1.467 50 0 DDAARO COc1ccccc1COC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229655929 407667690 /nfs/dbraw/zinc/66/76/90/407667690.db2.gz YEEGJUNIXGTMJM-OFQRWUPVSA-N 1 0 309.406 1.682 50 0 DDAARO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229789721 407672804 /nfs/dbraw/zinc/67/28/04/407672804.db2.gz ANJSUUQJTATAKW-IVSAIRAKSA-N 1 0 323.481 1.473 50 0 DDAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179086216 407719782 /nfs/dbraw/zinc/71/97/82/407719782.db2.gz HKQLRXAURIAZIM-CYBMUJFWSA-N 1 0 319.796 1.663 50 0 DDAARO C[C@H]1CN(Cc2nccn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376489 407662505 /nfs/dbraw/zinc/66/25/05/407662505.db2.gz MBCIVUBMTPEMLS-DOTOQJQBSA-N 1 0 314.433 1.660 50 0 DDAARO Cc1ccc(-n2cc(C(=O)N(C)CC[N@H+](C)C3CC3)nn2)cc1 ZINC000186716277 407753993 /nfs/dbraw/zinc/75/39/93/407753993.db2.gz YVYOXWLCQNDFHJ-UHFFFAOYSA-N 1 0 313.405 1.742 50 0 DDAARO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000134051396 407885218 /nfs/dbraw/zinc/88/52/18/407885218.db2.gz LNBNGVXITZDXHJ-CABCVRRESA-N 1 0 322.453 1.123 50 0 DDAARO CC(C)Cn1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000241588517 407913296 /nfs/dbraw/zinc/91/32/96/407913296.db2.gz PDUMTLFKTDFCEN-MRXNPFEDSA-N 1 0 308.426 1.068 50 0 DDAARO COc1cccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c1 ZINC000244633295 407926401 /nfs/dbraw/zinc/92/64/01/407926401.db2.gz GAPCNMCIZNQALQ-ZOBUZTSGSA-N 1 0 318.417 1.564 50 0 DDAARO Cc1n[nH]c(C)c1CCCNC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000244701058 407932587 /nfs/dbraw/zinc/93/25/87/407932587.db2.gz JZINOMKOGAGANK-ZDUSSCGKSA-N 1 0 322.453 1.576 50 0 DDAARO CN1CCN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1CCO ZINC000244828575 407940295 /nfs/dbraw/zinc/94/02/95/407940295.db2.gz TYTVLVWAQPYMLO-NSHDSACASA-N 1 0 300.761 1.618 50 0 DDAARO COCCn1cncc1C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000244842372 407942430 /nfs/dbraw/zinc/94/24/30/407942430.db2.gz UPMVWQHZHUNVTH-ZDUSSCGKSA-N 1 0 304.398 1.336 50 0 DDAARO Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H]([NH2+]C2CCOCC2)C1 ZINC000244900303 407944382 /nfs/dbraw/zinc/94/43/82/407944382.db2.gz ZZTAWMKRPIIEEP-MQMHXKEQSA-N 1 0 316.409 1.075 50 0 DDAARO Cn1cc([C@H](Nc2cncc(C[NH+](C)C)n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244899436 407944968 /nfs/dbraw/zinc/94/49/68/407944968.db2.gz ZJZAOUSZRSGKJH-DIOULYMOSA-N 1 0 316.409 1.196 50 0 DDAARO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC[NH2+]C2)cc1OC ZINC000150869956 408215755 /nfs/dbraw/zinc/21/57/55/408215755.db2.gz YPERJPPXEIUISF-ZIAGYGMSSA-N 1 0 304.390 1.977 50 0 DDAARO O=[S@@](CC[N@@H+]1CCC[C@H]1Cn1cncn1)c1ccccc1 ZINC000247326243 408451203 /nfs/dbraw/zinc/45/12/03/408451203.db2.gz NOTCTDFMFVOOMQ-QKKBWIMNSA-N 1 0 304.419 1.550 50 0 DDAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CCO1 ZINC000247154807 408417140 /nfs/dbraw/zinc/41/71/40/408417140.db2.gz LWLMTXNLGSOAEY-GVDBMIGSSA-N 1 0 323.481 1.430 50 0 DDAARO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1O ZINC000252509662 408802350 /nfs/dbraw/zinc/80/23/50/408802350.db2.gz YTFKVRUQXNBCAI-UHFFFAOYSA-N 1 0 306.406 1.883 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000252572455 408805804 /nfs/dbraw/zinc/80/58/04/408805804.db2.gz ZJDMQRIQIFXXDR-SRRSOLGSSA-N 1 0 306.328 1.433 50 0 DDAARO Cc1cc(C)c(N2C[C@@H](C(=O)N3CC[C@@H]([NH3+])C3)CC2=O)c(C)c1 ZINC000178349379 408810023 /nfs/dbraw/zinc/81/00/23/408810023.db2.gz YJVXHYPJIFYINU-LSDHHAIUSA-N 1 0 315.417 1.524 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178350803 408810123 /nfs/dbraw/zinc/81/01/23/408810123.db2.gz ZHOLMSWMXABMMR-MRVPVSSYSA-N 1 0 309.167 1.499 50 0 DDAARO CN(CC(=O)N1CC[C@H](c2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000299756233 410607991 /nfs/dbraw/zinc/60/79/91/410607991.db2.gz FBIGCZXYKJVXNF-HNNXBMFYSA-N 1 0 319.424 1.825 50 0 DDAARO CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000299764970 410610789 /nfs/dbraw/zinc/61/07/89/410610789.db2.gz WPMRWVYUGOKUQB-NSHDSACASA-N 1 0 304.369 1.703 50 0 DDAARO Cn1ccnc1CNC(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299768493 410614411 /nfs/dbraw/zinc/61/44/11/410614411.db2.gz OYMPXAMZYPTAJA-UHFFFAOYSA-N 1 0 306.341 1.217 50 0 DDAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)c(C)c1 ZINC000299780028 410620672 /nfs/dbraw/zinc/62/06/72/410620672.db2.gz 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ZINC000426690769 419530879 /nfs/dbraw/zinc/53/08/79/419530879.db2.gz XGEORTKXEPAVIM-UHFFFAOYSA-N 1 0 306.410 1.567 50 0 DDAARO CO[C@]12CC[N@H+](Cc3cnc(C)nc3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426730413 419537708 /nfs/dbraw/zinc/53/77/08/419537708.db2.gz MFDLLGZRNNFHJO-YESZJQIVSA-N 1 0 321.421 1.306 50 0 DDAARO CCc1ccc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000426730651 419537811 /nfs/dbraw/zinc/53/78/11/419537811.db2.gz ZQIBCJBSHGOLDJ-QGZVFWFLSA-N 1 0 316.449 1.429 50 0 DDAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@@H+](CCO)C2 ZINC000426573101 419510026 /nfs/dbraw/zinc/51/00/26/419510026.db2.gz LNIIOWAGDNMWEW-QGZVFWFLSA-N 1 0 306.381 1.633 50 0 DDAARO O=C(C[C@H]1CCOC1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426582752 419511666 /nfs/dbraw/zinc/51/16/66/419511666.db2.gz FCTSTTZESHXIAF-OAHLLOKOSA-N 1 0 314.429 1.725 50 0 DDAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000493194806 420783484 /nfs/dbraw/zinc/78/34/84/420783484.db2.gz HDYFACYBSUADBJ-BRLPQQTGSA-N 1 0 302.374 1.681 50 0 DDAARO CCS[C@@H]1CCCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000585132223 422309218 /nfs/dbraw/zinc/30/92/18/422309218.db2.gz QVIVPEPERCPNHF-RBSFLKMASA-N 1 0 312.479 1.984 50 0 DDAARO COc1ccc(CC(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000603812399 422454243 /nfs/dbraw/zinc/45/42/43/422454243.db2.gz QHIWPRARMXQDJH-UHFFFAOYSA-N 1 0 319.449 1.382 50 0 DDAARO COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343509354 271788848 /nfs/dbraw/zinc/78/88/48/271788848.db2.gz IHMCMCDPKVDPMJ-YCPHGPKFSA-N 1 0 317.433 1.556 50 0 DDAARO CCN1CCC([N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)CC1 ZINC000095382476 276149685 /nfs/dbraw/zinc/14/96/85/276149685.db2.gz SKNBMRSFEYNNQX-IEBWSBKVSA-N 1 0 316.445 1.941 50 0 DDAARO Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000011846578 276778337 /nfs/dbraw/zinc/77/83/37/276778337.db2.gz OUTUOCUDXICADI-AWEZNQCLSA-N 1 0 315.373 1.787 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000299784598 277343933 /nfs/dbraw/zinc/34/39/33/277343933.db2.gz 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334295007 /nfs/dbraw/zinc/29/50/07/334295007.db2.gz BJLRJZXFGXYDSY-UHFFFAOYSA-N 1 0 307.291 1.946 50 0 DDAARO Cc1ccccc1[C@@H](CNC(=O)C(=O)c1cccn1C)[NH+](C)C ZINC000534650530 334311597 /nfs/dbraw/zinc/31/15/97/334311597.db2.gz XBKRSBFQYUQXPU-MRXNPFEDSA-N 1 0 313.401 1.935 50 0 DDAARO CCc1nnc(CN(C)C(=O)NCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000534670777 334320102 /nfs/dbraw/zinc/32/01/02/334320102.db2.gz TVEOZFNUZHTQHC-GFCCVEGCSA-N 1 0 309.414 1.648 50 0 DDAARO COc1ccccc1-c1ncc(CNC(=O)[C@H]2C=CC[NH2+]2)s1 ZINC000534672364 334320822 /nfs/dbraw/zinc/32/08/22/334320822.db2.gz QKJVNCASTNXKLO-CYBMUJFWSA-N 1 0 315.398 1.963 50 0 DDAARO Cc1ccccc1[C@@H](CNC(=O)CCCn1cncn1)[NH+](C)C ZINC000534675269 334321364 /nfs/dbraw/zinc/32/13/64/334321364.db2.gz CRXZZYZPOZMIKQ-MRXNPFEDSA-N 1 0 315.421 1.786 50 0 DDAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(-c2csnn2)cc1 ZINC000151702594 337383295 /nfs/dbraw/zinc/38/32/95/337383295.db2.gz UIYNAOUYDLRDON-CYBMUJFWSA-N 1 0 318.402 1.912 50 0 DDAARO Cc1csc(C[NH2+]CC(C)(C)N2CCS(=O)CC2)n1 ZINC000084268369 483992576 /nfs/dbraw/zinc/99/25/76/483992576.db2.gz WIAWMBALCKZHJW-UHFFFAOYSA-N 1 0 301.481 1.384 50 0 DDAARO C[NH+](C)CCn1cc(NC(=O)NC[C@@]2(C)CCCS2)cn1 ZINC000084673483 483999922 /nfs/dbraw/zinc/99/99/22/483999922.db2.gz GNZOEVSHGDLHQD-CQSZACIVSA-N 1 0 311.455 1.852 50 0 DDAARO CCN(C)c1ccc(C(=O)N(CCOC)CC[NH+](C)C)cc1 ZINC000084760894 484000684 /nfs/dbraw/zinc/00/06/84/484000684.db2.gz DDMWWMDNWGKFCT-UHFFFAOYSA-N 1 0 307.438 1.793 50 0 DDAARO CC[NH+]1CCN(Cc2ncnn2-c2cccc3c2CCC3)CC1 ZINC000670447575 484835801 /nfs/dbraw/zinc/83/58/01/484835801.db2.gz QLQBHDACAUHDHT-UHFFFAOYSA-N 1 0 311.433 1.894 50 0 DDAARO COc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000670450909 484837444 /nfs/dbraw/zinc/83/74/44/484837444.db2.gz XOTMCKNGCPZLBR-CQSZACIVSA-N 1 0 306.406 1.580 50 0 DDAARO CC(C)n1nccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000670451178 484838475 /nfs/dbraw/zinc/83/84/75/484838475.db2.gz ZLRGHQCYWIBYRO-UHFFFAOYSA-N 1 0 300.428 1.179 50 0 DDAARO C[C@@](O)(CCCO)CNC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000670454939 484841287 /nfs/dbraw/zinc/84/12/87/484841287.db2.gz YORBPVZZEMNSQI-QGZVFWFLSA-N 1 0 314.470 1.573 50 0 DDAARO CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000670461645 484845910 /nfs/dbraw/zinc/84/59/10/484845910.db2.gz NQWVASKIMWFYDI-OAHLLOKOSA-N 1 0 311.451 1.389 50 0 DDAARO CN(C)C1(Cn2cnc3cccc(F)c3c2=O)CC[NH+](C)CC1 ZINC000670467860 484847381 /nfs/dbraw/zinc/84/73/81/484847381.db2.gz UDQKUVRVYNJPCW-UHFFFAOYSA-N 1 0 318.396 1.562 50 0 DDAARO CCC[N@H+](CCO)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000218916 696005197 /nfs/dbraw/zinc/00/51/97/696005197.db2.gz GBFBGFAGRKETEE-UHFFFAOYSA-N 1 0 303.406 1.689 50 0 DDAARO Cc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000011840041 696047689 /nfs/dbraw/zinc/04/76/89/696047689.db2.gz DXAPVSFXUBMDOJ-QZTJIDSGSA-N 1 0 304.434 1.387 50 0 DDAARO CN(C)c1ncccc1C[NH2+]CC(C)(C)CN1CCOCC1 ZINC000012705991 696051722 /nfs/dbraw/zinc/05/17/22/696051722.db2.gz 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ZINC000812331821 702156111 /nfs/dbraw/zinc/15/61/11/702156111.db2.gz HYRSIKNLUOPCSM-MGPQQGTHSA-N 1 0 323.437 1.406 50 0 DDAARO CO[C@]1(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CCOC1 ZINC000863947831 706043966 /nfs/dbraw/zinc/04/39/66/706043966.db2.gz JKAKPJGHLSHBTH-QGZVFWFLSA-N 1 0 313.357 1.991 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000864091978 706065402 /nfs/dbraw/zinc/06/54/02/706065402.db2.gz MMAWTJDVRFRWKC-VXGBXAGGSA-N 1 0 302.296 1.168 50 0 DDAARO CC[C@@H]1CN(C(=O)c2ncoc2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000888097125 709212844 /nfs/dbraw/zinc/21/28/44/709212844.db2.gz BLGQWGPEADHXPA-WCQYABFASA-N 1 0 307.394 1.781 50 0 DDAARO COc1ncc(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)cn1 ZINC000952964407 721528354 /nfs/dbraw/zinc/52/83/54/721528354.db2.gz NJXFVXPHIRYKOH-KRWDZBQOSA-N 1 0 312.417 1.974 50 0 DDAARO CC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000952966718 721528803 /nfs/dbraw/zinc/52/88/03/721528803.db2.gz WIDVKLNDXVZIGG-MRXNPFEDSA-N 1 0 305.422 1.597 50 0 DDAARO O=C(NC[C@H]1CCC[N@H+](CCc2ncc[nH]2)C1)C1CCCC1 ZINC000952969677 721529384 /nfs/dbraw/zinc/52/93/84/721529384.db2.gz ONCOUFJKHVLBSA-CQSZACIVSA-N 1 0 304.438 1.971 50 0 DDAARO CCc1nn(C)c(Cl)c1CNCC[N@@H+]1CCCC[C@@H]1CO ZINC000952984791 721532363 /nfs/dbraw/zinc/53/23/63/721532363.db2.gz NHBQUYSIKKIXBY-GFCCVEGCSA-N 1 0 314.861 1.572 50 0 DDAARO Cc1nnc([C@H]2CC[N@@H+](CC3CC3)CCN2C(=O)C(C)C)[nH]1 ZINC000675014671 737519126 /nfs/dbraw/zinc/51/91/26/737519126.db2.gz YKVSZBNTIKSTHE-CQSZACIVSA-N 1 0 305.426 1.755 50 0 DDAARO O=C(CCn1cncn1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828012939 759449420 /nfs/dbraw/zinc/44/94/20/759449420.db2.gz BIWHYGXKGUQUGF-ZDUSSCGKSA-N 1 0 319.434 1.511 50 0 DDAARO O=S1(=O)CCC(N2CCC([NH2+][C@H]3CCSC3)CC2)CC1 ZINC000828395689 759632225 /nfs/dbraw/zinc/63/22/25/759632225.db2.gz YRTSZYVTWGAPAP-ZDUSSCGKSA-N 1 0 318.508 1.123 50 0 DDAARO O=C(c1ccccn1)N1CC([N@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794483 761712671 /nfs/dbraw/zinc/71/26/71/761712671.db2.gz 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C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1[NH+](C)C ZINC000076050410 406951728 /nfs/dbraw/zinc/95/17/28/406951728.db2.gz MGOSJDPRFXJCKI-AAEUAGOBSA-N 1 0 306.410 1.678 50 0 DDAARO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000032860391 406954778 /nfs/dbraw/zinc/95/47/78/406954778.db2.gz WFDHFXMINUZYOU-ZDUSSCGKSA-N 1 0 315.417 1.548 50 0 DDAARO COc1ccc(OC)c2c1CN(c1cc(C)[nH+]c(N)n1)C[C@H]2O ZINC000043533519 407019327 /nfs/dbraw/zinc/01/93/27/407019327.db2.gz XIBVFGDTKFWZNT-LLVKDONJSA-N 1 0 316.361 1.438 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1F ZINC000044502604 407025545 /nfs/dbraw/zinc/02/55/45/407025545.db2.gz PBRPFALHZLKOME-SECBINFHSA-N 1 0 306.790 1.757 50 0 DDAARO C[NH+](C)CC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000078394481 407026226 /nfs/dbraw/zinc/02/62/26/407026226.db2.gz QVJXGGQZWUCRSG-UHFFFAOYSA-N 1 0 314.389 1.108 50 0 DDAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000045966699 407051731 /nfs/dbraw/zinc/05/17/31/407051731.db2.gz 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CC1CC[NH+](C[C@@H](O)CSc2nnc(N(C)C)s2)CC1 ZINC000096501755 407273613 /nfs/dbraw/zinc/27/36/13/407273613.db2.gz JBCUEMZPCXVVNF-LLVKDONJSA-N 1 0 316.496 1.789 50 0 DDAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1c[nH]c(=O)[nH]1 ZINC000067473311 407274886 /nfs/dbraw/zinc/27/48/86/407274886.db2.gz PJYFBYQUYDVDSB-GFCCVEGCSA-N 1 0 306.410 1.478 50 0 DDAARO COc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)nn1C ZINC000097081534 407278939 /nfs/dbraw/zinc/27/89/39/407278939.db2.gz CXXVDYVWOGRJDS-JQWIXIFHSA-N 1 0 309.414 1.541 50 0 DDAARO CCC1CCC(C(=O)NCC(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000067674592 407279886 /nfs/dbraw/zinc/27/98/86/407279886.db2.gz DKUQKOMUTAIDEI-SLTAFYQDSA-N 1 0 309.454 1.387 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000097135263 407282021 /nfs/dbraw/zinc/28/20/21/407282021.db2.gz SNAYSSIBWFXRFC-UHFFFAOYSA-N 1 0 314.389 1.944 50 0 DDAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1c[nH]nc1C ZINC000097159966 407284049 /nfs/dbraw/zinc/28/40/49/407284049.db2.gz 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COc1ccccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000106918575 407366878 /nfs/dbraw/zinc/36/68/78/407366878.db2.gz NKWGINGTZLPXAF-GXTWGEPZSA-N 1 0 312.435 1.455 50 0 DDAARO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C[NH3+])c1 ZINC000195544505 407466072 /nfs/dbraw/zinc/46/60/72/407466072.db2.gz BRLZUBYBMZWARQ-UHFFFAOYSA-N 1 0 304.799 1.558 50 0 DDAARO CNC(=O)COC[C@@H]1C[NH+](C2CCCC2)C[C@H]1c1ccccn1 ZINC000257175059 407480710 /nfs/dbraw/zinc/48/07/10/407480710.db2.gz NKGUAKAXYXOOHV-GOEBONIOSA-N 1 0 317.433 1.802 50 0 DDAARO CSc1ncc(CN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000215902980 407489170 /nfs/dbraw/zinc/48/91/70/407489170.db2.gz NAIORIPUGCXUSQ-UHFFFAOYSA-N 1 0 301.419 1.916 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C(=O)N(C)C ZINC000253413117 407441742 /nfs/dbraw/zinc/44/17/42/407441742.db2.gz TVWVYHWMPDVWBZ-JKSUJKDBSA-N 1 0 320.433 1.786 50 0 DDAARO COCC[NH2+]CCNC(=O)c1ccc(F)c(Br)c1 ZINC000170591327 407445272 /nfs/dbraw/zinc/44/52/72/407445272.db2.gz DMQNHNYNYKDQCJ-UHFFFAOYSA-N 1 0 319.174 1.554 50 0 DDAARO COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000253473006 407451332 /nfs/dbraw/zinc/45/13/32/407451332.db2.gz QYQHWNGELKKLKR-GFCCVEGCSA-N 1 0 302.334 1.117 50 0 DDAARO COc1ccccc1C1=NO[C@](C)(C(=O)NCC[NH+](C)C)C1 ZINC000222284312 407553164 /nfs/dbraw/zinc/55/31/64/407553164.db2.gz YMJPXLJAFULGQM-INIZCTEOSA-N 1 0 305.378 1.256 50 0 DDAARO COCCCC1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000222480184 407556440 /nfs/dbraw/zinc/55/64/40/407556440.db2.gz SGZNYSNRXTUBLN-GASCZTMLSA-N 1 0 321.469 1.658 50 0 DDAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000225362776 407580491 /nfs/dbraw/zinc/58/04/91/407580491.db2.gz VHONGBJYFGTWDC-NFAWXSAZSA-N 1 0 321.421 1.585 50 0 DDAARO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000225476464 407588156 /nfs/dbraw/zinc/58/81/56/407588156.db2.gz PCJVTXVAZSORAU-CYBMUJFWSA-N 1 0 302.296 1.518 50 0 DDAARO Cc1nc(SCCNc2cc(C3CC([NH3+])C3)ncn2)n[nH]1 ZINC000218970037 407525282 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GJCSKEHCCNQCFZ-UHFFFAOYSA-N 1 0 321.421 1.071 50 0 DDAARO OCCc1cn(C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000023580853 182363732 /nfs/dbraw/zinc/36/37/32/182363732.db2.gz JKGRCLLGPXSJIN-UHFFFAOYSA-N 1 0 300.406 1.693 50 0 DDAARO COc1cc(Cl)cc(C[NH2+]CCN2CCOCC2)c1OC ZINC000040719432 183123435 /nfs/dbraw/zinc/12/34/35/183123435.db2.gz KLLPXBDITGWCQT-UHFFFAOYSA-N 1 0 314.813 1.779 50 0 DDAARO C[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000041297943 183184045 /nfs/dbraw/zinc/18/40/45/183184045.db2.gz IKQGIDIZRUVVBQ-CYBMUJFWSA-N 1 0 321.421 1.779 50 0 DDAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000193133680 296285770 /nfs/dbraw/zinc/28/57/70/296285770.db2.gz MZODHZJKBNPVNX-UKRRQHHQSA-N 1 0 316.511 1.910 50 0 DDAARO COc1ccccc1COC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105699662 194120130 /nfs/dbraw/zinc/12/01/30/194120130.db2.gz YEEGJUNIXGTMJM-IJEWVQPXSA-N 1 0 309.406 1.682 50 0 DDAARO Cc1nonc1OCCNC(=O)CC[NH+]1CCCCCCC1 ZINC000055244455 183973606 /nfs/dbraw/zinc/97/36/06/183973606.db2.gz RCQAPDXZUSTWGK-UHFFFAOYSA-N 1 0 310.398 1.529 50 0 DDAARO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058229728 184091489 /nfs/dbraw/zinc/09/14/89/184091489.db2.gz IFXSRLUHLVXPNG-MGPQQGTHSA-N 1 0 320.437 1.613 50 0 DDAARO O[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)COc1ccc(F)cc1 ZINC000058315956 184104500 /nfs/dbraw/zinc/10/45/00/184104500.db2.gz QQMSTVBAIYFMEN-TZMCWYRMSA-N 1 0 320.368 1.093 50 0 DDAARO CC(=O)N1CCC(CNc2nc(C)nc3c2CC[NH2+]CC3)CC1 ZINC000063857554 184289650 /nfs/dbraw/zinc/28/96/50/184289650.db2.gz SBUYVSIUSZZEQN-UHFFFAOYSA-N 1 0 317.437 1.144 50 0 DDAARO COc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)[NH+](C)C)cc1 ZINC000065415388 184340872 /nfs/dbraw/zinc/34/08/72/184340872.db2.gz HONXRQPGBBYOFW-WFASDCNBSA-N 1 0 317.393 1.267 50 0 DDAARO C[C@H](CNC(=O)Nc1ccc(-n2cncn2)nc1)[NH+]1CCCC1 ZINC000065452450 184346987 /nfs/dbraw/zinc/34/69/87/184346987.db2.gz KUXCCKAHJQWIFA-GFCCVEGCSA-N 1 0 315.381 1.268 50 0 DDAARO CCO[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000065542490 184364020 /nfs/dbraw/zinc/36/40/20/184364020.db2.gz ZFVTZUKAIXAQIA-CQSZACIVSA-N 1 0 320.433 1.685 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000269205520 207323040 /nfs/dbraw/zinc/32/30/40/207323040.db2.gz CPVIMABXGXXSDL-WZRBSPASSA-N 1 0 321.808 1.689 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)c2ccc(F)cc2F)c(C)nn1C ZINC000065595070 184370964 /nfs/dbraw/zinc/37/09/64/184370964.db2.gz NSBZNTQURWBASH-AWEZNQCLSA-N 1 0 311.332 1.839 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@H]1C[NH3+] ZINC000299747407 296397669 /nfs/dbraw/zinc/39/76/69/296397669.db2.gz CWTSXVDIDMPSCL-SCZZXKLOSA-N 1 0 318.830 1.065 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1(n2cccc2)CCOCC1 ZINC000263588616 285256821 /nfs/dbraw/zinc/25/68/21/285256821.db2.gz WGFGFOPROVWKPH-MRXNPFEDSA-N 1 0 319.449 1.984 50 0 DDAARO Cc1noc(C)c1C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000216507093 257273461 /nfs/dbraw/zinc/27/34/61/257273461.db2.gz ZUMXWVASNFMBDP-UHFFFAOYSA-N 1 0 305.382 1.292 50 0 DDAARO COc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OC(C)C ZINC000358796109 257235709 /nfs/dbraw/zinc/23/57/09/257235709.db2.gz CKMSPXYJRBECED-YUTCNCBUSA-N 1 0 322.405 1.382 50 0 DDAARO COc1cc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)ccc1OC(C)C ZINC000358796105 257236439 /nfs/dbraw/zinc/23/64/39/257236439.db2.gz CKMSPXYJRBECED-IACUBPJLSA-N 1 0 322.405 1.382 50 0 DDAARO COC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000240786117 257237592 /nfs/dbraw/zinc/23/75/92/257237592.db2.gz IANOLQYGNMXRBT-HZSPNIEDSA-N 1 0 316.442 1.761 50 0 DDAARO [NH3+]C[C@@H]1CCCN1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000237954338 257238843 /nfs/dbraw/zinc/23/88/43/257238843.db2.gz USZJZWQOYWYRAH-NSHDSACASA-N 1 0 303.391 1.092 50 0 DDAARO COc1ccc([C@@H](CC(=O)N2CC[NH2+][C@@H](C)C2)NC(C)=O)cc1 ZINC000237198821 257239447 /nfs/dbraw/zinc/23/94/47/257239447.db2.gz ZDQQBVDTVXBFGU-BLLLJJGKSA-N 1 0 319.405 1.083 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000122731235 195491715 /nfs/dbraw/zinc/49/17/15/195491715.db2.gz ABTVUEZTWGBERP-SECBINFHSA-N 1 0 309.218 1.856 50 0 DDAARO [NH3+]CCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002545933 406691232 /nfs/dbraw/zinc/69/12/32/406691232.db2.gz IWTWWQXKCJOYRD-UHFFFAOYSA-N 1 0 312.369 1.784 50 0 DDAARO Cn1nc(C(=O)NC2CC[NH+](C)CC2)c(Cl)c1C(F)(F)F ZINC000002777028 406699067 /nfs/dbraw/zinc/69/90/67/406699067.db2.gz GHBDMAHYWNRVJE-UHFFFAOYSA-N 1 0 324.734 1.916 50 0 DDAARO CCc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000421203 406647924 /nfs/dbraw/zinc/64/79/24/406647924.db2.gz SFGLGAWOOXRNKV-UHFFFAOYSA-N 1 0 303.391 1.934 50 0 DDAARO C[NH+](C)CCn1nnnc1SCc1nnsc1Cl ZINC000069530886 406732086 /nfs/dbraw/zinc/73/20/86/406732086.db2.gz NOKPDMDDYWGYDS-UHFFFAOYSA-N 1 0 305.820 1.032 50 0 DDAARO CC(=O)NCCC[NH2+]Cc1c(C)nn(CC(C)C)c1N(C)C ZINC000069589912 406740543 /nfs/dbraw/zinc/74/05/43/406740543.db2.gz ZTXGMPHQWAGQIQ-UHFFFAOYSA-N 1 0 309.458 1.529 50 0 DDAARO C[C@@H]1C[N@H+](CCc2ccccn2)CCN1c1ccc2nncn2n1 ZINC000069621888 406744960 /nfs/dbraw/zinc/74/49/60/406744960.db2.gz IDBVYEWTIKLBJF-CQSZACIVSA-N 1 0 323.404 1.273 50 0 DDAARO CN(CC1CC[NH+](CCO)CC1)c1ncnc2ccccc21 ZINC000069630074 406749480 /nfs/dbraw/zinc/74/94/80/406749480.db2.gz DVWPYTUQZVURGA-UHFFFAOYSA-N 1 0 300.406 1.770 50 0 DDAARO Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069659178 406752201 /nfs/dbraw/zinc/75/22/01/406752201.db2.gz IXXZJDJMZPIBPX-ZIAGYGMSSA-N 1 0 313.405 1.737 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000069740444 406764695 /nfs/dbraw/zinc/76/46/95/406764695.db2.gz DXPKHUTWSJYKGD-DZGCQCFKSA-N 1 0 314.389 1.501 50 0 DDAARO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1CC ZINC000007781810 406767919 /nfs/dbraw/zinc/76/79/19/406767919.db2.gz SMDAXAIYOLTMIN-LBPRGKRZSA-N 1 0 309.410 1.771 50 0 DDAARO COc1cc(C[NH2+][C@H]2CCc3nc(C)nn3C2)cc2c1OCO2 ZINC000069770487 406769043 /nfs/dbraw/zinc/76/90/43/406769043.db2.gz UYROETMURWSTPI-LBPRGKRZSA-N 1 0 316.361 1.428 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000069420212 406708197 /nfs/dbraw/zinc/70/81/97/406708197.db2.gz RURBWKORESXTJP-UHFFFAOYSA-N 1 0 300.362 1.139 50 0 DDAARO CCC[NH+]1CCC(NS(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000069487287 406719752 /nfs/dbraw/zinc/71/97/52/406719752.db2.gz UYBYGPYSRAAQLU-CYBMUJFWSA-N 1 0 303.472 1.427 50 0 DDAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000069484969 406720261 /nfs/dbraw/zinc/72/02/61/406720261.db2.gz ARKGLCBGVOGDEJ-ZDUSSCGKSA-N 1 0 303.410 1.025 50 0 DDAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069488834 406721107 /nfs/dbraw/zinc/72/11/07/406721107.db2.gz OUGKGVQUEHGAHY-CQSZACIVSA-N 1 0 312.352 1.912 50 0 DDAARO Fc1cc(C[NH2+][C@@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000069490854 406723959 /nfs/dbraw/zinc/72/39/59/406723959.db2.gz GBSWUCDZNUBUFP-GFCCVEGCSA-N 1 0 313.340 1.103 50 0 DDAARO Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@H]3CCC[N@H+]3C)c2n1 ZINC000069849421 406782248 /nfs/dbraw/zinc/78/22/48/406782248.db2.gz RODPLVRCMBBRMI-CABCVRRESA-N 1 0 313.405 1.737 50 0 DDAARO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncnc2cc(F)ccc21 ZINC000069811179 406776119 /nfs/dbraw/zinc/77/61/19/406776119.db2.gz RQSDJRKUUQNZBD-GFCCVEGCSA-N 1 0 303.385 1.817 50 0 DDAARO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000008318026 406785150 /nfs/dbraw/zinc/78/51/50/406785150.db2.gz AVZCZGZRZXYIJH-ZDUSSCGKSA-N 1 0 303.406 1.197 50 0 DDAARO CCN(C(=O)C[NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000069875839 406787379 /nfs/dbraw/zinc/78/73/79/406787379.db2.gz BMPHJXHELLBSGN-CYBMUJFWSA-N 1 0 303.410 1.046 50 0 DDAARO CCOC(=O)N1CCN(C(=O)C[NH2+]Cc2cccs2)CC1 ZINC000008577903 406790208 /nfs/dbraw/zinc/79/02/08/406790208.db2.gz NHTBPCMTQFCKHI-UHFFFAOYSA-N 1 0 311.407 1.138 50 0 DDAARO COCC[N@H+](CCCN1C(=O)CNC1=O)Cc1cccs1 ZINC000070005253 406800573 /nfs/dbraw/zinc/80/05/73/406800573.db2.gz KWKDUFNHYLHRPO-UHFFFAOYSA-N 1 0 311.407 1.138 50 0 DDAARO C[C@@H]([NH2+]CC(=O)NCCc1cccs1)[C@H](C)n1cccn1 ZINC000070003976 406801439 /nfs/dbraw/zinc/80/14/39/406801439.db2.gz BONZODNDWZBYTI-OLZOCXBDSA-N 1 0 306.435 1.843 50 0 DDAARO C[N@@H+]1CCC[C@@H](CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000069978173 406798563 /nfs/dbraw/zinc/79/85/63/406798563.db2.gz UPLJCBVRIOHZPI-LLVKDONJSA-N 1 0 305.407 1.802 50 0 DDAARO COc1ccccc1CN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000009485635 406808405 /nfs/dbraw/zinc/80/84/05/406808405.db2.gz NGGAMGQHTFYBQD-JQWIXIFHSA-N 1 0 312.416 1.344 50 0 DDAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1Cl ZINC000010111463 406819452 /nfs/dbraw/zinc/81/94/52/406819452.db2.gz GTDOZHFUMQYKAV-UHFFFAOYSA-N 1 0 306.815 1.579 50 0 DDAARO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070887591 406826380 /nfs/dbraw/zinc/82/63/80/406826380.db2.gz ZAXQFDRQXWRIAI-ZBFHGGJFSA-N 1 0 310.438 1.657 50 0 DDAARO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl ZINC000011999759 406834480 /nfs/dbraw/zinc/83/44/80/406834480.db2.gz OHRBAFYCAPUXEZ-WDEREUQCSA-N 1 0 316.835 1.989 50 0 DDAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012549894 406847740 /nfs/dbraw/zinc/84/77/40/406847740.db2.gz GVNVYCIATKRBNB-HUUCEWRRSA-N 1 0 320.433 1.747 50 0 DDAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000071830764 406848743 /nfs/dbraw/zinc/84/87/43/406848743.db2.gz IEHYCYJZGQZPHY-HZSPNIEDSA-N 1 0 318.421 1.258 50 0 DDAARO O=C(Cc1ccc2c(c1)CCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839887 406851295 /nfs/dbraw/zinc/85/12/95/406851295.db2.gz ASPJHTADVRPSTA-INIZCTEOSA-N 1 0 300.402 1.861 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000071879592 406859726 /nfs/dbraw/zinc/85/97/26/406859726.db2.gz VNEGAGCMQMUXFN-HUUCEWRRSA-N 1 0 311.470 1.212 50 0 DDAARO c1cnnc(N2CCC[C@H]2C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000071877236 406860268 /nfs/dbraw/zinc/86/02/68/406860268.db2.gz QJXBZZPHCMGUEB-AWEZNQCLSA-N 1 0 312.373 1.964 50 0 DDAARO C[NH+](C)CCCNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000013649261 406864968 /nfs/dbraw/zinc/86/49/68/406864968.db2.gz BRPSOBSLKQZGTD-UHFFFAOYSA-N 1 0 305.422 1.200 50 0 DDAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1ccccc1OC ZINC000013734290 406867874 /nfs/dbraw/zinc/86/78/74/406867874.db2.gz KVGBTNIWCVGZIW-UHFFFAOYSA-N 1 0 304.390 1.980 50 0 DDAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014741802 406875649 /nfs/dbraw/zinc/87/56/49/406875649.db2.gz MFHDEMIRZFOCQM-CQSZACIVSA-N 1 0 316.449 1.999 50 0 DDAARO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CC[NH2+]C2)n1 ZINC000072343416 406881589 /nfs/dbraw/zinc/88/15/89/406881589.db2.gz OJQWVGKPYAAAGU-ZDUSSCGKSA-N 1 0 311.389 1.385 50 0 DDAARO Cc1cc(C[NH2+]CCS(C)(=O)=O)ccc1Br ZINC000073852589 406896582 /nfs/dbraw/zinc/89/65/82/406896582.db2.gz ODRAFWBQWMPBEH-UHFFFAOYSA-N 1 0 306.225 1.892 50 0 DDAARO NC(=O)C1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000071808114 406845528 /nfs/dbraw/zinc/84/55/28/406845528.db2.gz FKIPIRJKATXHBC-INIZCTEOSA-N 1 0 315.417 1.547 50 0 DDAARO COCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036095188 406975803 /nfs/dbraw/zinc/97/58/03/406975803.db2.gz HPWSXYGWPHAQFP-MRXNPFEDSA-N 1 0 311.422 1.930 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441057 406948328 /nfs/dbraw/zinc/94/83/28/406948328.db2.gz LAQMACZONGDEOM-QWRGUYRKSA-N 1 0 315.439 1.833 50 0 DDAARO CCO[C@H]1C[C@H]([N@H+](C)CCCS(N)(=O)=O)C12CCCCC2 ZINC000076040607 406950917 /nfs/dbraw/zinc/95/09/17/406950917.db2.gz YYCIGCLTILESMT-KBPBESRZSA-N 1 0 318.483 1.725 50 0 DDAARO CC[NH+](CC)CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000076085118 406954107 /nfs/dbraw/zinc/95/41/07/406954107.db2.gz BUBHZJYNLFDKCI-UHFFFAOYSA-N 1 0 304.438 1.817 50 0 DDAARO CCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000033032633 406958311 /nfs/dbraw/zinc/95/83/11/406958311.db2.gz DQGSSCIZATVAFY-UHFFFAOYSA-N 1 0 323.824 1.624 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)Cn1ccccc1=O)c1cccs1 ZINC000044516305 407025563 /nfs/dbraw/zinc/02/55/63/407025563.db2.gz UALOUVUSIREWRJ-LBPRGKRZSA-N 1 0 305.403 1.329 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCOCC1 ZINC000044891213 407031669 /nfs/dbraw/zinc/03/16/69/407031669.db2.gz CEYOATGVUMKGHC-AWEZNQCLSA-N 1 0 307.394 1.848 50 0 DDAARO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cnn1C ZINC000044893707 407031951 /nfs/dbraw/zinc/03/19/51/407031951.db2.gz IJPFHMRKHUHLNH-CQSZACIVSA-N 1 0 302.378 1.888 50 0 DDAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)n1 ZINC000044934400 407033831 /nfs/dbraw/zinc/03/38/31/407033831.db2.gz RXDRTEWWBIMNQQ-ZDUSSCGKSA-N 1 0 311.389 1.481 50 0 DDAARO C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc2c(c1)CCCC2 ZINC000077298091 406982977 /nfs/dbraw/zinc/98/29/77/406982977.db2.gz HDLVCFSCHDRWHZ-LBPRGKRZSA-N 1 0 313.405 1.607 50 0 DDAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2nc3ccccc3o2)C1 ZINC000077423397 406990217 /nfs/dbraw/zinc/99/02/17/406990217.db2.gz QQWBYYKXTAJFDH-KRWDZBQOSA-N 1 0 317.389 1.491 50 0 DDAARO COc1cc(CN2CC[NH+](C[C@H](O)C3CC3)CC2)cc(OC)c1 ZINC000085436867 407101770 /nfs/dbraw/zinc/10/17/70/407101770.db2.gz 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O=C(NCCCc1ccc(O)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101388564 407309483 /nfs/dbraw/zinc/30/94/83/407309483.db2.gz OZDKQKBGNAFGJE-INIZCTEOSA-N 1 0 315.417 1.981 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CN([C@H](C)c3cccnc3)CCO2)n1 ZINC000106908184 407366242 /nfs/dbraw/zinc/36/62/42/407366242.db2.gz QYHGLTUSDFTXIP-WBMJQRKESA-N 1 0 301.394 1.752 50 0 DDAARO COC(=O)CC(C)(C)[NH2+]CCS(=O)(=O)Oc1ccccc1 ZINC000170678739 407474965 /nfs/dbraw/zinc/47/49/65/407474965.db2.gz AGBKGKVKQJCBGM-UHFFFAOYSA-N 1 0 315.391 1.327 50 0 DDAARO CC(C)[N@H+](C)CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000170596369 407444362 /nfs/dbraw/zinc/44/43/62/407444362.db2.gz CBTYFWZLOCJCCW-UHFFFAOYSA-N 1 0 304.369 1.968 50 0 DDAARO CSCCC[N@@H+]1CCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000219214787 407527900 /nfs/dbraw/zinc/52/79/00/407527900.db2.gz JYBMKSHCKQTPOI-OAHLLOKOSA-N 1 0 321.450 1.267 50 0 DDAARO CN(C)c1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000220580213 407541985 /nfs/dbraw/zinc/54/19/85/407541985.db2.gz 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ZINC000229915681 407675138 /nfs/dbraw/zinc/67/51/38/407675138.db2.gz KPXIEDDTJVGWOF-RHSMWYFYSA-N 1 0 317.389 1.125 50 0 DDAARO CCc1nnc([C@H]2CN(C[C@@H](O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000229916185 407675326 /nfs/dbraw/zinc/67/53/26/407675326.db2.gz MWINNYSGMJTBMZ-ZIAGYGMSSA-N 1 0 320.368 1.613 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(C)C)C1 ZINC000179014575 407691596 /nfs/dbraw/zinc/69/15/96/407691596.db2.gz FGVBEIFHDOIEMR-CYBMUJFWSA-N 1 0 324.446 1.550 50 0 DDAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179086226 407719526 /nfs/dbraw/zinc/71/95/26/407719526.db2.gz HKQLRXAURIAZIM-ZDUSSCGKSA-N 1 0 319.796 1.663 50 0 DDAARO COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H]2C[NH3+])n1 ZINC000237212412 407807669 /nfs/dbraw/zinc/80/76/69/407807669.db2.gz LNPQLUNSONRNAI-ZDUSSCGKSA-N 1 0 314.389 1.753 50 0 DDAARO Cc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)oc1C ZINC000237731282 407839994 /nfs/dbraw/zinc/83/99/94/407839994.db2.gz AAYBWFPCVJSPSG-UONOGXRCSA-N 1 0 306.410 1.063 50 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QWNSZVGDCVNBAE-OAHLLOKOSA-N 1 0 309.841 1.635 50 0 DDAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000262812772 407942453 /nfs/dbraw/zinc/94/24/53/407942453.db2.gz YMOOPDBEQHUVFJ-STQMWFEESA-N 1 0 319.430 1.914 50 0 DDAARO CC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000156877417 408280579 /nfs/dbraw/zinc/28/05/79/408280579.db2.gz RJKWDTMGWXLDQH-CJNGLKHVSA-N 1 0 309.454 1.611 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000248123063 408536186 /nfs/dbraw/zinc/53/61/86/408536186.db2.gz KRUGTMJFNVVYFB-BZUAXINKSA-N 1 0 319.449 1.330 50 0 DDAARO O=C(C[NH2+]CC1CC1)NC1(c2cccc(F)c2)CCOCC1 ZINC000162452807 408703153 /nfs/dbraw/zinc/70/31/53/408703153.db2.gz YXJFXCISLIPHHP-UHFFFAOYSA-N 1 0 306.381 1.947 50 0 DDAARO COc1ccccc1CN1CC[C@@H]2CN(S(C)(=O)=O)[C@@H]2C1 ZINC000253411522 408814489 /nfs/dbraw/zinc/81/44/89/408814489.db2.gz OSSVWWQHFDFDTH-TZMCWYRMSA-N 1 0 310.419 1.161 50 0 DDAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCSCc2ccc(C)cc2)C1 ZINC000252500893 408800296 /nfs/dbraw/zinc/80/02/96/408800296.db2.gz TYFLFCUQZROYJA-LSDHHAIUSA-N 1 0 308.447 1.721 50 0 DDAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000252512311 408803191 /nfs/dbraw/zinc/80/31/91/408803191.db2.gz PGOHDOVLUITIGP-RFGFWPKPSA-N 1 0 316.467 1.237 50 0 DDAARO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000168825975 408819261 /nfs/dbraw/zinc/81/92/61/408819261.db2.gz GCTNXQPAEVBOSX-OIISXLGYSA-N 1 0 301.434 1.847 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1ccccn1 ZINC000299761744 410612238 /nfs/dbraw/zinc/61/22/38/410612238.db2.gz ZLPRYZMZBSQQIR-STQMWFEESA-N 1 0 309.435 1.398 50 0 DDAARO CC[NH+](CC)Cc1cccc(NC(=O)N2CC[C@](O)(CO)C2)c1 ZINC000299780057 410621910 /nfs/dbraw/zinc/62/19/10/410621910.db2.gz IBKYUTFIHMQAGN-QGZVFWFLSA-N 1 0 321.421 1.489 50 0 DDAARO O=C(CCOc1ccccc1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299790863 410630765 /nfs/dbraw/zinc/63/07/65/410630765.db2.gz CLGYUZCSUOPRHG-HOTGVXAUSA-N 1 0 304.390 1.435 50 0 DDAARO C[N@@H+]1CCCN(CC(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000299789917 410632000 /nfs/dbraw/zinc/63/20/00/410632000.db2.gz IHONYPRWVANGKG-UHFFFAOYSA-N 1 0 324.494 1.694 50 0 DDAARO COC1(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCOCC1 ZINC000330696311 410881633 /nfs/dbraw/zinc/88/16/33/410881633.db2.gz ZZISZZIGZJSZFB-UHFFFAOYSA-N 1 0 313.419 1.375 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000133324518 196330108 /nfs/dbraw/zinc/33/01/08/196330108.db2.gz OGKKYUYENJACNQ-LLVKDONJSA-N 1 0 303.337 1.491 50 0 DDAARO CO[C@]1(C)C[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1(C)C ZINC000107538999 418498385 /nfs/dbraw/zinc/49/83/85/418498385.db2.gz KVUPKQWKAUYXCR-YWPYICTPSA-N 1 0 300.468 1.744 50 0 DDAARO CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000048314533 418469067 /nfs/dbraw/zinc/46/90/67/418469067.db2.gz BFEOVSSTCUMKLC-CYBMUJFWSA-N 1 0 318.421 1.292 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000223018959 418563056 /nfs/dbraw/zinc/56/30/56/418563056.db2.gz STJAKAQDCIXAAN-VJUNAUMWSA-N 1 0 311.385 1.682 50 0 DDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000261751126 222256988 /nfs/dbraw/zinc/25/69/88/222256988.db2.gz QCLCUMBGGZIBMW-JKSUJKDBSA-N 1 0 306.381 1.850 50 0 DDAARO CN1CCN(C(=O)CC[N@@H+]2CCC=C(c3ccccn3)C2)CC1 ZINC000408518962 418807100 /nfs/dbraw/zinc/80/71/00/418807100.db2.gz NBBOKPDUNBOSLJ-UHFFFAOYSA-N 1 0 314.433 1.335 50 0 DDAARO CCc1ccc2occ(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2c1 ZINC000408517622 418807420 /nfs/dbraw/zinc/80/74/20/418807420.db2.gz OTGURDCKIOELTF-GJZGRUSLSA-N 1 0 302.374 1.742 50 0 DDAARO CC(=O)NC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000408522913 418809003 /nfs/dbraw/zinc/80/90/03/418809003.db2.gz DYOJPEYIOWZBGB-ZDUSSCGKSA-N 1 0 307.369 1.612 50 0 DDAARO O=C(NCc1ccc2sccc2c1)NC[C@@H]1C[NH2+]CCO1 ZINC000426477518 419481250 /nfs/dbraw/zinc/48/12/50/419481250.db2.gz GEMUBXGAGYTICD-ZDUSSCGKSA-N 1 0 305.403 1.689 50 0 DDAARO C[NH+]1CCC(N2CCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000426372516 419448443 /nfs/dbraw/zinc/44/84/43/419448443.db2.gz UXCXPZYRUZMGDV-UHFFFAOYSA-N 1 0 306.410 1.201 50 0 DDAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3c[nH]c(=O)[nH]c3=O)cc2)C1 ZINC000426412609 419464561 /nfs/dbraw/zinc/46/45/61/419464561.db2.gz ANIISHPSQPLKQN-NEPJUHHUSA-N 1 0 314.345 1.164 50 0 DDAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1cn[nH]n1 ZINC000426705988 419536062 /nfs/dbraw/zinc/53/60/62/419536062.db2.gz YJRROUZNMBDZJZ-DZGCQCFKSA-N 1 0 305.426 1.508 50 0 DDAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000299740073 229375643 /nfs/dbraw/zinc/37/56/43/229375643.db2.gz VMRAYTGVRFMFEG-RRFJBIMHSA-N 1 0 311.495 1.762 50 0 DDAARO O=C(NCCCc1nc2ccccc2s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299747340 229390245 /nfs/dbraw/zinc/39/02/45/229390245.db2.gz CRCYCDRDCFHXJE-CMPLNLGQSA-N 1 0 305.403 1.068 50 0 DDAARO Nc1nnc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)s1 ZINC000534587165 421693136 /nfs/dbraw/zinc/69/31/36/421693136.db2.gz WHQBYKCNPIFGPC-UHFFFAOYSA-N 1 0 307.379 1.239 50 0 DDAARO CN1CC[N@H+](C[C@@H](O)C[C@](C)(O)C2CC2)Cc2ccccc21 ZINC000630035158 421846996 /nfs/dbraw/zinc/84/69/96/421846996.db2.gz BVQKPQXQWHVKAN-WMZOPIPTSA-N 1 0 304.434 1.850 50 0 DDAARO C[C@@H]1CN(C)C[C@@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)O1 ZINC000585121889 422308221 /nfs/dbraw/zinc/30/82/21/422308221.db2.gz DXMWJQDYFVRHFX-CJNGLKHVSA-N 1 0 305.422 1.448 50 0 DDAARO O=C(/C=C\c1c(F)cccc1F)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000606445121 422459408 /nfs/dbraw/zinc/45/94/08/422459408.db2.gz BKDJXVLIEZSHLD-ZHRWSRJISA-N 1 0 310.344 1.551 50 0 DDAARO CN(C)C(=O)c1ccc(C[NH2+]C[C@](C)(CO)c2ccccc2)[nH]1 ZINC000342217854 271343179 /nfs/dbraw/zinc/34/31/79/271343179.db2.gz ZCCKVYLYLIPHDY-GOSISDBHSA-N 1 0 315.417 1.756 50 0 DDAARO c1cnc(N2CCC[C@H]([NH2+]Cc3cccc4c3OCO4)C2)nc1 ZINC000042797450 275073513 /nfs/dbraw/zinc/07/35/13/275073513.db2.gz MPODMOHOUKEYSH-AWEZNQCLSA-N 1 0 312.373 1.964 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1 ZINC000178978188 277286274 /nfs/dbraw/zinc/28/62/74/277286274.db2.gz HLLFEDHJEMAHIJ-WDEREUQCSA-N 1 0 319.430 1.801 50 0 DDAARO CC(C)C1=NO[C@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000071315339 277339648 /nfs/dbraw/zinc/33/96/48/277339648.db2.gz BGLYQKQGTABKAT-HNNXBMFYSA-N 1 0 322.453 1.026 50 0 DDAARO COC(=O)[C@@H]1C[C@@H](O)[C@H]([N@@H+]2CCN(C)c3ccccc3C2)C1 ZINC000107148453 277368400 /nfs/dbraw/zinc/36/84/00/277368400.db2.gz CSPNHIMAYOFUNE-NUEKZKHPSA-N 1 0 304.390 1.251 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000069393516 278300457 /nfs/dbraw/zinc/30/04/57/278300457.db2.gz LMSKFXMZSUBZKR-AWEZNQCLSA-N 1 0 307.419 1.725 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@@H]1C[NH3+] ZINC000237452605 278478479 /nfs/dbraw/zinc/47/84/79/278478479.db2.gz XHTOPHASUUKBDP-IAQYHMDHSA-N 1 0 317.368 1.606 50 0 DDAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)nnn1-c1cccc2ncccc21 ZINC000152514912 280210069 /nfs/dbraw/zinc/21/00/69/280210069.db2.gz YRRUYEXTHOHSNI-LBPRGKRZSA-N 1 0 322.372 1.297 50 0 DDAARO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccn1 ZINC000096436176 280321319 /nfs/dbraw/zinc/32/13/19/280321319.db2.gz ASWVQUGSFIZZRK-INIZCTEOSA-N 1 0 305.422 1.833 50 0 DDAARO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000193133669 290339419 /nfs/dbraw/zinc/33/94/19/290339419.db2.gz MZODHZJKBNPVNX-ZFWWWQNUSA-N 1 0 316.511 1.910 50 0 DDAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C[NH3+] ZINC000091626360 293289859 /nfs/dbraw/zinc/28/98/59/293289859.db2.gz HHVAWSMQLQTIDC-NSHDSACASA-N 1 0 305.426 1.690 50 0 DDAARO Cn1cc([C@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CCO2)cn1 ZINC000262242321 294308594 /nfs/dbraw/zinc/30/85/94/294308594.db2.gz BQDDYEMKUQFFHB-NOLJZWGESA-N 1 0 306.410 1.012 50 0 DDAARO Cc1nnc([C@@H]2COCCN2CC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000408524781 302822974 /nfs/dbraw/zinc/82/29/74/302822974.db2.gz ZFLZARPNYGFWPA-NFAWXSAZSA-N 1 0 308.426 1.729 50 0 DDAARO c1sc(-c2ccccc2)nc1CN1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000534651792 334312356 /nfs/dbraw/zinc/31/23/56/334312356.db2.gz QMDAAPSJIIWFKW-GJZGRUSLSA-N 1 0 301.415 1.983 50 0 DDAARO O=S(=O)(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cn[nH]c1 ZINC000534665521 334318863 /nfs/dbraw/zinc/31/88/63/334318863.db2.gz PONJWTJYMBUZBV-GFCCVEGCSA-N 1 0 312.439 1.343 50 0 DDAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000585094198 483921845 /nfs/dbraw/zinc/92/18/45/483921845.db2.gz OKEQJOIYHSNZEX-YQQAZPJKSA-N 1 0 312.454 1.545 50 0 DDAARO Cc1cccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000084210705 483990933 /nfs/dbraw/zinc/99/09/33/483990933.db2.gz SYZXJUYGRIEEPH-DLBZAZTESA-N 1 0 302.418 1.595 50 0 DDAARO CN(C)c1cc(N2CCN(C(=O)c3cccs3)CC2)cn[nH+]1 ZINC000206723928 484134981 /nfs/dbraw/zinc/13/49/81/484134981.db2.gz NUTXAEOXZAFYEQ-UHFFFAOYSA-N 1 0 317.418 1.567 50 0 DDAARO Cc1cc(C)n(CCCNC(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000670439704 484830626 /nfs/dbraw/zinc/83/06/26/484830626.db2.gz RVSZCNMSYAPHQO-MRXNPFEDSA-N 1 0 322.453 1.506 50 0 DDAARO COc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000670450908 484837369 /nfs/dbraw/zinc/83/73/69/484837369.db2.gz XOTMCKNGCPZLBR-AWEZNQCLSA-N 1 0 306.406 1.580 50 0 DDAARO C[C@@H](C1CCN(C(=O)NCc2cc[nH]n2)CC1)[NH+]1CCOCC1 ZINC000670449472 484837745 /nfs/dbraw/zinc/83/77/45/484837745.db2.gz RTLCHKXBVIWPIM-ZDUSSCGKSA-N 1 0 321.425 1.052 50 0 DDAARO CCOc1ccc(C(=O)NCc2cncn2CCOC)cc1 ZINC000670469595 484848478 /nfs/dbraw/zinc/84/84/78/484848478.db2.gz JTUBNIJMVJWOOW-UHFFFAOYSA-N 1 0 303.362 1.858 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)Cc2csc(-c3cnccn3)n2)C1 ZINC000158139066 527345177 /nfs/dbraw/zinc/34/51/77/527345177.db2.gz SBIFBLXOGCNTOW-SNVBAGLBSA-N 1 0 303.391 1.092 50 0 DDAARO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cncc(F)c1 ZINC000330990946 528291798 /nfs/dbraw/zinc/29/17/98/528291798.db2.gz AQWGEHKXSYKUGK-LBPRGKRZSA-N 1 0 303.403 1.475 50 0 DDAARO CC(C)[NH+]1CCN(CCCN2CCC(=O)CC23CCC3)CC1 ZINC000328598347 529042333 /nfs/dbraw/zinc/04/23/33/529042333.db2.gz LPQQMJWHNGXFMC-UHFFFAOYSA-N 1 0 307.482 1.990 50 0 DDAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3CC3)C2=O)c1 ZINC000012314111 696049174 /nfs/dbraw/zinc/04/91/74/696049174.db2.gz NWROFRQYCGZECW-KRWDZBQOSA-N 1 0 322.380 1.440 50 0 DDAARO Cn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1 ZINC000012430929 696049997 /nfs/dbraw/zinc/04/99/97/696049997.db2.gz HJIXCBJJKAXZLH-CQSZACIVSA-N 1 0 318.808 1.964 50 0 DDAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H](O)C[NH3+] ZINC000067974826 696365912 /nfs/dbraw/zinc/36/59/12/696365912.db2.gz APSMWQOWEIONBT-AWEZNQCLSA-N 1 0 315.373 1.427 50 0 DDAARO CN1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1C(=O)[O-] ZINC000248081310 698370726 /nfs/dbraw/zinc/37/07/26/698370726.db2.gz AKQCWHIZMIXBEA-HNNXBMFYSA-N 1 0 323.462 1.545 50 0 DDAARO CN(C)c1ncc(/C=C/C(=O)NCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000952972434 721530076 /nfs/dbraw/zinc/53/00/76/721530076.db2.gz VRWYFKQHWSZQKQ-UZYOAWRESA-N 1 0 303.410 1.204 50 0 DDAARO CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000952986440 721532841 /nfs/dbraw/zinc/53/28/41/721532841.db2.gz IRCVAKVWDABCFG-CQSZACIVSA-N 1 0 312.373 1.922 50 0 DDAARO Cc1noc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC000092061584 721922263 /nfs/dbraw/zinc/92/22/63/721922263.db2.gz NCILNMNHGYLWMJ-GFCCVEGCSA-N 1 0 303.366 1.227 50 0 DDAARO C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Oc1cccc(F)c1 ZINC000585132341 739389903 /nfs/dbraw/zinc/38/99/03/739389903.db2.gz UNWUFZSCRJZBNK-WFASDCNBSA-N 1 0 322.380 1.430 50 0 DDAARO CCn1c(CNC(=O)N2CCC[N@H+](C)CC2)nc2ccccc21 ZINC000823582672 758325361 /nfs/dbraw/zinc/32/53/61/758325361.db2.gz YBHSZOPKHMWAFR-UHFFFAOYSA-N 1 0 315.421 1.903 50 0 DDAARO Cc1cccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000825218763 759230469 /nfs/dbraw/zinc/23/04/69/759230469.db2.gz QOPWPYMXINUFQA-OAHLLOKOSA-N 1 0 308.447 1.741 50 0 DDAARO O=C1OC[C@H]2CN(Cc3cccc(Cn4cccn4)c3)CCN12 ZINC000828322918 759615118 /nfs/dbraw/zinc/61/51/18/759615118.db2.gz OQAWSOLAHMUHGB-MRXNPFEDSA-N 1 0 312.373 1.568 50 0 DDAARO Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000828710994 759747199 /nfs/dbraw/zinc/74/71/99/759747199.db2.gz VBIVCZASNIPCMO-MRXNPFEDSA-N 1 0 305.422 1.641 50 0 DDAARO CC[N@H+](C1CN(C(=O)c2ccccn2)C1)C1CCN(C)CC1 ZINC000581798952 761706197 /nfs/dbraw/zinc/70/61/97/761706197.db2.gz DWAXOWKXPIGZQR-UHFFFAOYSA-N 1 0 302.422 1.322 50 0 DDAARO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCS(C)(=O)=O ZINC000585125807 771957034 /nfs/dbraw/zinc/95/70/34/771957034.db2.gz GJZPLCQKXPHISU-CHWSQXEVSA-N 1 0 304.456 1.142 50 0 DDAARO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC000585129134 771962971 /nfs/dbraw/zinc/96/29/71/771962971.db2.gz YXRGZNBJBNQMMK-DJIMGWMZSA-N 1 0 318.417 1.429 50 0 DDAARO C[C@@H]1OC(=O)N[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000585133436 771965759 /nfs/dbraw/zinc/96/57/59/771965759.db2.gz IADXCPONQDBUTJ-JOYOIKCWSA-N 1 0 302.334 1.968 50 0 DDAARO CC(C)(C)c1ccc(=O)n(CC2C[NH+]([C@@H]3CCCC[C@@H]3O)C2)n1 ZINC000585603673 773683836 /nfs/dbraw/zinc/68/38/36/773683836.db2.gz FSNULKXHHFJVHJ-CABCVRRESA-N 1 0 319.449 1.776 50 0 DDAARO CC(=O)Nc1ccc(C[NH2+]CCSc2nncn2C)cc1 ZINC000952872340 775616803 /nfs/dbraw/zinc/61/68/03/775616803.db2.gz PPQJKXKVESGMGK-UHFFFAOYSA-N 1 0 305.407 1.655 50 0 DDAARO Cc1cc(C)n2ncc(-c3noc(C45CC[NH+](CC4)C5)n3)c2n1 ZINC000952882128 775638369 /nfs/dbraw/zinc/63/83/69/775638369.db2.gz LWULLGBFRPLRAO-UHFFFAOYSA-N 1 0 310.361 1.743 50 0 DDAARO CCOC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000076981392 185062949 /nfs/dbraw/zinc/06/29/49/185062949.db2.gz QPRAIVOYSGNOCS-HZPDHXFCSA-N 1 0 309.454 1.929 50 0 DDAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NC(C)(C)c2nnc(N)s2)C1 ZINC000095524764 185377694 /nfs/dbraw/zinc/37/76/94/185377694.db2.gz PPPOOZCFGLAGHN-JTQLQIEISA-N 1 0 311.455 1.592 50 0 DDAARO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-c2cccnc2)cc1 ZINC000181282164 199275943 /nfs/dbraw/zinc/27/59/43/199275943.db2.gz CYLOPUGWNODZHG-CYBMUJFWSA-N 1 0 319.430 1.948 50 0 DDAARO O=S(=O)(CC[NH2+]Cc1sccc1Cl)N1CCOCC1 ZINC000328596464 231236040 /nfs/dbraw/zinc/23/60/40/231236040.db2.gz RPUKLNGHGWCDDB-UHFFFAOYSA-N 1 0 324.855 1.153 50 0 DDAARO C[NH+](C)Cc1ccc(N2CCN(c3ncc(F)cn3)CC2)nc1 ZINC000328598699 231238052 /nfs/dbraw/zinc/23/80/52/231238052.db2.gz NPNHFURZEVCLSR-UHFFFAOYSA-N 1 0 316.384 1.399 50 0 DDAARO CCOC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000083265118 185221819 /nfs/dbraw/zinc/22/18/19/185221819.db2.gz QXELSODIWMVNCI-HUUCEWRRSA-N 1 0 305.374 1.861 50 0 DDAARO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)nn(C)c1C ZINC000096965226 185394210 /nfs/dbraw/zinc/39/42/10/185394210.db2.gz IRCPPBMLOPBQHZ-UHFFFAOYSA-N 1 0 302.444 1.047 50 0 DDAARO Cc1ccc(N2CCN(C(=O)CC[NH+]3CCCC3)CC2=O)cc1 ZINC000082109743 192357630 /nfs/dbraw/zinc/35/76/30/192357630.db2.gz UQABTQUBJPLYFM-UHFFFAOYSA-N 1 0 315.417 1.656 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccco1)c1ccccc1 ZINC000033028919 282238370 /nfs/dbraw/zinc/23/83/70/282238370.db2.gz UMIMBKABTHVNSS-CQSZACIVSA-N 1 0 315.373 1.429 50 0 DDAARO CN(C)c1nc(N2CCN(c3cc[nH+]cc3)CC2)ncc1F ZINC000095391053 185351455 /nfs/dbraw/zinc/35/14/55/185351455.db2.gz PGFVRBWOTSWDRK-UHFFFAOYSA-N 1 0 302.357 1.403 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C2CC2)C1 ZINC000097019388 185398098 /nfs/dbraw/zinc/39/80/98/185398098.db2.gz ORBHUCICVIOWGW-GFCCVEGCSA-N 1 0 315.352 1.457 50 0 DDAARO O=C(Nc1ccncc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000097135935 185414000 /nfs/dbraw/zinc/41/40/00/185414000.db2.gz LNYZGWOFPZBYCE-LBPRGKRZSA-N 1 0 322.384 1.843 50 0 DDAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299749347 530001206 /nfs/dbraw/zinc/00/12/06/530001206.db2.gz KAFMERABXCMDQP-CMPLNLGQSA-N 1 0 302.296 1.387 50 0 DDAARO CC(C)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000068819891 190785462 /nfs/dbraw/zinc/78/54/62/190785462.db2.gz GJSCYJWUMYSVGX-GFCCVEGCSA-N 1 0 306.410 1.122 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c(O)c1 ZINC000072144830 191050862 /nfs/dbraw/zinc/05/08/62/191050862.db2.gz GBXPRNQGYRSFNM-QGZVFWFLSA-N 1 0 306.406 1.619 50 0 DDAARO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072154273 191059236 /nfs/dbraw/zinc/05/92/36/191059236.db2.gz UIPCUQUVVNERCD-SFHVURJKSA-N 1 0 324.428 1.735 50 0 DDAARO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000072169482 191068272 /nfs/dbraw/zinc/06/82/72/191068272.db2.gz RIWRYPGWUMZMIN-LBPRGKRZSA-N 1 0 300.428 1.008 50 0 DDAARO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000072267925 191091081 /nfs/dbraw/zinc/09/10/81/191091081.db2.gz JSWVKTRJGRJAEC-ARFHVFGLSA-N 1 0 319.449 1.481 50 0 DDAARO COCCC[N@H+](C)CCNC(=O)[C@H]1CCOc2ccccc21 ZINC000072295857 191111814 /nfs/dbraw/zinc/11/18/14/191111814.db2.gz TWSJUJNDVGZACL-HNNXBMFYSA-N 1 0 306.406 1.637 50 0 DDAARO OCc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)o1 ZINC000072298311 191113059 /nfs/dbraw/zinc/11/30/59/191113059.db2.gz TYQYNBZLSYBFMA-OAHLLOKOSA-N 1 0 322.430 1.997 50 0 DDAARO C[C@](O)(C[N@@H+]1CCCN(c2cccnn2)CC1)C(F)(F)F ZINC000253396384 186304724 /nfs/dbraw/zinc/30/47/24/186304724.db2.gz BGYJOIXLLQJHIQ-LBPRGKRZSA-N 1 0 304.316 1.302 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072409638 191153814 /nfs/dbraw/zinc/15/38/14/191153814.db2.gz YLVZZZZXXDCLBU-IBGZPJMESA-N 1 0 320.477 1.889 50 0 DDAARO C[C@@H](NC(=O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000000380916 352109025 /nfs/dbraw/zinc/10/90/25/352109025.db2.gz QOCODILLODRPBR-CJNGLKHVSA-N 1 0 304.390 1.817 50 0 DDAARO CCOCc1nc2c(c(N(C)Cc3ccoc3)n1)CC[NH2+]CC2 ZINC000072431930 191164673 /nfs/dbraw/zinc/16/46/73/191164673.db2.gz BODJMMBJECCXKG-UHFFFAOYSA-N 1 0 316.405 1.931 50 0 DDAARO Cc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269115 353195611 /nfs/dbraw/zinc/19/56/11/353195611.db2.gz ASFVRQUBFYFBPU-DLBZAZTESA-N 1 0 302.418 1.595 50 0 DDAARO Cc1nc(CN(C)[C@H]2CC[N@H+](CCCc3cn[nH]c3)C2)no1 ZINC000076047309 353392868 /nfs/dbraw/zinc/39/28/68/353392868.db2.gz SUQKXJLRLWACLM-AWEZNQCLSA-N 1 0 304.398 1.240 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1[NH+](C)C ZINC000078894475 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50 0 DDAARO CN(C)C(=O)NCC(=O)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000584898362 354797854 /nfs/dbraw/zinc/79/78/54/354797854.db2.gz PMKSZMQSKXYFFR-UHFFFAOYSA-N 1 0 310.442 1.173 50 0 DDAARO C[N@H+](CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)CC(C)(C)C ZINC000585139588 354813950 /nfs/dbraw/zinc/81/39/50/354813950.db2.gz BFGFBCWHNMEUJW-OAHLLOKOSA-N 1 0 323.481 1.729 50 0 DDAARO O=C1NCCC[C@H]1[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584891648 354794737 /nfs/dbraw/zinc/79/47/37/354794737.db2.gz XBUSVSGJQANEQN-OAHLLOKOSA-N 1 0 309.360 1.802 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2OCCOC)C1 ZINC000237314577 202227291 /nfs/dbraw/zinc/22/72/91/202227291.db2.gz XBYIDQXXNWVBMQ-CQSZACIVSA-N 1 0 306.406 1.783 50 0 DDAARO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000237373134 202247463 /nfs/dbraw/zinc/24/74/63/202247463.db2.gz KNQKWZUKAUCUFA-CJNGLKHVSA-N 1 0 320.389 1.356 50 0 DDAARO O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237772294 202350335 /nfs/dbraw/zinc/35/03/35/202350335.db2.gz PKRXELZFKZXYHU-CHWSQXEVSA-N 1 0 323.387 1.655 50 0 DDAARO C[C@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000237746174 202343596 /nfs/dbraw/zinc/34/35/96/202343596.db2.gz ORUKNJUHWSWOCI-JTQLQIEISA-N 1 0 310.781 1.474 50 0 DDAARO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000237894889 202383259 /nfs/dbraw/zinc/38/32/59/202383259.db2.gz FLUFHSVKQSHMHV-YOEHRIQHSA-N 1 0 317.433 1.262 50 0 DDAARO CCSc1ncc(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cn1 ZINC000091417069 193052973 /nfs/dbraw/zinc/05/29/73/193052973.db2.gz ADZCTUQTWUVZEZ-KGLIPLIRSA-N 1 0 324.494 1.581 50 0 DDAARO Cc1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000091552022 193072663 /nfs/dbraw/zinc/07/26/63/193072663.db2.gz IHIBVGLWGONBJI-ZIAGYGMSSA-N 1 0 323.462 1.618 50 0 DDAARO Cc1ccc(CN(C)CC(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1 ZINC000091562867 193073359 /nfs/dbraw/zinc/07/33/59/193073359.db2.gz DQAXDHPRGJLRHL-SJORKVTESA-N 1 0 301.434 1.623 50 0 DDAARO CCC[C@H]1CN(C(=O)C[NH2+]C)C[C@@H]1Nc1cc(C2CC2)ncn1 ZINC000091594635 193077860 /nfs/dbraw/zinc/07/78/60/193077860.db2.gz XPEONHKEGNNZQL-ZFWWWQNUSA-N 1 0 317.437 1.612 50 0 DDAARO CN(C)c1ncc(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cn1 ZINC000091474487 193061773 /nfs/dbraw/zinc/06/17/73/193061773.db2.gz VVPJZUAIWQABIL-CVEARBPZSA-N 1 0 321.469 1.067 50 0 DDAARO O=c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)[nH]c2ccc(F)cc12 ZINC000091679744 193090343 /nfs/dbraw/zinc/09/03/43/193090343.db2.gz LGMXZNASVNLSTB-MEDUHNTESA-N 1 0 301.365 1.851 50 0 DDAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091935104 193128760 /nfs/dbraw/zinc/12/87/60/193128760.db2.gz ARUGEPBPYVHYLK-JTQLQIEISA-N 1 0 305.353 1.624 50 0 DDAARO Cc1ccc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)nn1 ZINC000091965316 193133474 /nfs/dbraw/zinc/13/34/74/193133474.db2.gz KDRKNNQPTLCTMC-HZPDHXFCSA-N 1 0 304.438 1.706 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)N[C@H]1COc2ccccc2C1 ZINC000015787255 182018129 /nfs/dbraw/zinc/01/81/29/182018129.db2.gz DNXSNMWYJZAUOZ-OAHLLOKOSA-N 1 0 303.406 1.775 50 0 DDAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000020026375 182180491 /nfs/dbraw/zinc/18/04/91/182180491.db2.gz FUZFFGWAFFRBGX-ZDUSSCGKSA-N 1 0 302.330 1.247 50 0 DDAARO COc1ccc(OCC(=O)O[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000020292337 182203254 /nfs/dbraw/zinc/20/32/54/182203254.db2.gz GZRSBPGOZRVJRJ-CQSZACIVSA-N 1 0 322.405 1.253 50 0 DDAARO O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[NH2+]CC1 ZINC000020737815 182244815 /nfs/dbraw/zinc/24/48/15/182244815.db2.gz GVQATJVFXQPZCB-NSHDSACASA-N 1 0 307.781 1.125 50 0 DDAARO NC(=O)C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000023699665 182366411 /nfs/dbraw/zinc/36/64/11/182366411.db2.gz NZJZKBFGJUGAMI-UHFFFAOYSA-N 1 0 320.780 1.045 50 0 DDAARO CNC(=O)c1nnsc1N1CCC([NH+]2CCCCC2)CC1 ZINC000033435883 182710906 /nfs/dbraw/zinc/71/09/06/182710906.db2.gz JXBOORJMBYZFJF-UHFFFAOYSA-N 1 0 309.439 1.352 50 0 DDAARO Cn1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1=O ZINC000040496656 183081204 /nfs/dbraw/zinc/08/12/04/183081204.db2.gz 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/nfs/dbraw/zinc/00/45/21/194004521.db2.gz RNHMORFHYDELRI-MRXNPFEDSA-N 1 0 322.449 1.981 50 0 DDAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000110797564 194359097 /nfs/dbraw/zinc/35/90/97/194359097.db2.gz GLWYURDIVBKVLD-JTQLQIEISA-N 1 0 322.352 1.983 50 0 DDAARO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056156893 184006125 /nfs/dbraw/zinc/00/61/25/184006125.db2.gz JQVVNRWQXWFPDO-RYUDHWBXSA-N 1 0 307.394 1.969 50 0 DDAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000057456764 184039155 /nfs/dbraw/zinc/03/91/55/184039155.db2.gz JNEKDFZFRVTCIW-KGLIPLIRSA-N 1 0 324.446 1.257 50 0 DDAARO Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000057553767 184042076 /nfs/dbraw/zinc/04/20/76/184042076.db2.gz XVSKLLKMMGXIOS-LBPRGKRZSA-N 1 0 313.405 1.552 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000058280042 184098610 /nfs/dbraw/zinc/09/86/10/184098610.db2.gz DVTCCRDLCHURQJ-ZIAGYGMSSA-N 1 0 316.401 1.599 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)CN2 ZINC000058308388 184103639 /nfs/dbraw/zinc/10/36/39/184103639.db2.gz GCXVQXUBPIXJIC-IAGOWNOFSA-N 1 0 311.433 1.789 50 0 DDAARO c1cnn(-c2ccc(CC[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)c1 ZINC000058316926 184104930 /nfs/dbraw/zinc/10/49/30/184104930.db2.gz KTYMOXJRSHBDNH-MRXNPFEDSA-N 1 0 322.416 1.943 50 0 DDAARO CC[C@H](CNC(=O)CSCc1noc(C)n1)[NH+]1CCCC1 ZINC000058841876 184129859 /nfs/dbraw/zinc/12/98/59/184129859.db2.gz WHLBPCQCGZXTOT-GFCCVEGCSA-N 1 0 312.439 1.602 50 0 DDAARO CC(C)(C)NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000058407038 184114067 /nfs/dbraw/zinc/11/40/67/184114067.db2.gz IODGOCNVFGSDGF-UHFFFAOYSA-N 1 0 309.454 1.626 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000061864033 184190725 /nfs/dbraw/zinc/19/07/25/184190725.db2.gz XFWDEJAVGCLOOQ-SNVBAGLBSA-N 1 0 312.211 1.916 50 0 DDAARO CCC[NH+]1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000061782061 184187107 /nfs/dbraw/zinc/18/71/07/184187107.db2.gz CTUUTBGUVYAVNH-UHFFFAOYSA-N 1 0 315.417 1.700 50 0 DDAARO C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065444409 184346065 /nfs/dbraw/zinc/34/60/65/184346065.db2.gz YUJYLBNROLPDEY-LSDHHAIUSA-N 1 0 305.426 1.541 50 0 DDAARO Cc1ccnc(NC[C@H]2CC[N@H+](CCC(=O)NC3CC3)C2)c1 ZINC000065475303 184351803 /nfs/dbraw/zinc/35/18/03/184351803.db2.gz FGIBZDJMMIFIFT-CQSZACIVSA-N 1 0 302.422 1.793 50 0 DDAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000065553190 184365318 /nfs/dbraw/zinc/36/53/18/184365318.db2.gz VDWWVRPWUORSPX-GFCCVEGCSA-N 1 0 307.419 1.046 50 0 DDAARO CCc1cccc(NC(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000065507306 184356842 /nfs/dbraw/zinc/35/68/42/184356842.db2.gz IDBYABUSAWAWOH-MRXNPFEDSA-N 1 0 302.422 1.713 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000066126730 184391327 /nfs/dbraw/zinc/39/13/27/184391327.db2.gz FCPANOLDPPTAJO-AWEZNQCLSA-N 1 0 315.421 1.787 50 0 DDAARO CN(Cc1cccc(-n2cccn2)c1)c1cc(CC[NH3+])ncn1 ZINC000067677830 184479120 /nfs/dbraw/zinc/47/91/20/184479120.db2.gz WXSQHHQOYCVMSH-UHFFFAOYSA-N 1 0 308.389 1.800 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000158055806 197239610 /nfs/dbraw/zinc/23/96/10/197239610.db2.gz MQJFSZRFVOKBHF-CABZTGNLSA-N 1 0 300.305 1.535 50 0 DDAARO COc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000014102410 257268564 /nfs/dbraw/zinc/26/85/64/257268564.db2.gz RAHRXXRQULTYBC-UHFFFAOYSA-N 1 0 310.419 1.600 50 0 DDAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3nccnc3N)ccc21 ZINC000071858800 184871494 /nfs/dbraw/zinc/87/14/94/184871494.db2.gz RKGWMDAPZWXTGY-UHFFFAOYSA-N 1 0 324.388 1.827 50 0 DDAARO COC(=O)Cc1c[nH]c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc12 ZINC000000192529 406628512 /nfs/dbraw/zinc/62/85/12/406628512.db2.gz FNTZFISQGWQEBS-CYBMUJFWSA-N 1 0 320.389 1.621 50 0 DDAARO COc1cccc(CNC(=O)C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000069378917 406703650 /nfs/dbraw/zinc/70/36/50/406703650.db2.gz LZHBDGYXFIJOOH-CYBMUJFWSA-N 1 0 302.378 1.186 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000069351327 406700670 /nfs/dbraw/zinc/70/06/70/406700670.db2.gz FDGKDDVJCYBLGT-HNNXBMFYSA-N 1 0 300.406 1.898 50 0 DDAARO CCc1ccc(CN(C)C(=O)C[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000069617190 406742826 /nfs/dbraw/zinc/74/28/26/406742826.db2.gz BSVYHMDFXVTJKM-KRWDZBQOSA-N 1 0 319.449 1.128 50 0 DDAARO O=C(CSCc1ccncc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069700771 406756837 /nfs/dbraw/zinc/75/68/37/406756837.db2.gz MNTGSFHQPUISSY-CQSZACIVSA-N 1 0 305.447 1.915 50 0 DDAARO CC[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccc(C)cc1 ZINC000007459008 406757692 /nfs/dbraw/zinc/75/76/92/406757692.db2.gz DBBUBRXDKRTGAK-INIZCTEOSA-N 1 0 317.433 1.760 50 0 DDAARO O=C(CCCn1c(=O)oc2ccccc21)NCC[NH+]1CCCC1 ZINC000007435902 406758902 /nfs/dbraw/zinc/75/89/02/406758902.db2.gz VIUIEESPANJLKD-UHFFFAOYSA-N 1 0 317.389 1.587 50 0 DDAARO CC[N@H+](CCNC(=O)c1ccc(Cn2cncn2)cc1)C1CC1 ZINC000069420169 406709783 /nfs/dbraw/zinc/70/97/83/406709783.db2.gz NKALHYXMGYJRHN-UHFFFAOYSA-N 1 0 313.405 1.541 50 0 DDAARO CC[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)[NH+]1CCCC1 ZINC000069453898 406714350 /nfs/dbraw/zinc/71/43/50/406714350.db2.gz ULAIIMWKALAHPV-AWEZNQCLSA-N 1 0 314.393 1.267 50 0 DDAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069780267 406770759 /nfs/dbraw/zinc/77/07/59/406770759.db2.gz OPFHKFKWQACWOM-IKGGRYGDSA-N 1 0 323.437 1.294 50 0 DDAARO OC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000069490001 406723378 /nfs/dbraw/zinc/72/33/78/406723378.db2.gz DQISXWOEADLYJB-JKSUJKDBSA-N 1 0 300.406 1.366 50 0 DDAARO CCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1OC ZINC000004998028 406728431 /nfs/dbraw/zinc/72/84/31/406728431.db2.gz JYOJKYFOGNZKHF-UHFFFAOYSA-N 1 0 323.422 1.499 50 0 DDAARO Cn1cc(CN2CCCN(C(=O)CCCC[NH+](C)C)CC2)cn1 ZINC000069809901 406775014 /nfs/dbraw/zinc/77/50/14/406775014.db2.gz ORCGRZRQCRWKQA-UHFFFAOYSA-N 1 0 321.469 1.186 50 0 DDAARO CN1CCO[C@H](C[NH2+]CC(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000069879834 406787347 /nfs/dbraw/zinc/78/73/47/406787347.db2.gz CPNKFKGQHRBHSH-OAHLLOKOSA-N 1 0 323.462 1.159 50 0 DDAARO C[C@@H](O)C[NH+]1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000069899256 406789102 /nfs/dbraw/zinc/78/91/02/406789102.db2.gz NDCFXXIUOROBLL-HZPDHXFCSA-N 1 0 319.449 1.252 50 0 DDAARO Cn1ccnc1C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000069921806 406791995 /nfs/dbraw/zinc/79/19/95/406791995.db2.gz OYYZJIXKFLIKLP-CYBMUJFWSA-N 1 0 316.409 1.435 50 0 DDAARO O=c1cc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)nc2ccccn12 ZINC000069930379 406794042 /nfs/dbraw/zinc/79/40/42/406794042.db2.gz CFEDAIFJLBHTNS-INIZCTEOSA-N 1 0 323.400 1.946 50 0 DDAARO C[N@@H+]1CCC[C@H](CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)C1 ZINC000070005981 406802289 /nfs/dbraw/zinc/80/22/89/406802289.db2.gz KVNVRIHDRGBCNI-RYUDHWBXSA-N 1 0 312.439 1.184 50 0 DDAARO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 ZINC000069952016 406795481 /nfs/dbraw/zinc/79/54/81/406795481.db2.gz LUNCRNXCUJKABZ-ZIAGYGMSSA-N 1 0 307.419 1.896 50 0 DDAARO CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+](C)C ZINC000009951139 406817241 /nfs/dbraw/zinc/81/72/41/406817241.db2.gz WKLCHWFIPFQSPD-CQSZACIVSA-N 1 0 306.410 1.511 50 0 DDAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000009620258 406810806 /nfs/dbraw/zinc/81/08/06/406810806.db2.gz LDKMEEMKHXWZTA-UHFFFAOYSA-N 1 0 305.426 1.912 50 0 DDAARO C[NH+](C)CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010111708 406819678 /nfs/dbraw/zinc/81/96/78/406819678.db2.gz KGRPYLYBYVSSSF-UHFFFAOYSA-N 1 0 321.240 1.430 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000071144972 406833074 /nfs/dbraw/zinc/83/30/74/406833074.db2.gz MBOKAVRBXHCEHD-SECBINFHSA-N 1 0 306.790 1.709 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000071145093 406833773 /nfs/dbraw/zinc/83/37/73/406833773.db2.gz PSIWRFSNVHWQOQ-SNVBAGLBSA-N 1 0 322.352 1.935 50 0 DDAARO Cc1cccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000071821637 406846489 /nfs/dbraw/zinc/84/64/89/406846489.db2.gz YASXIRKJSIWJEE-AWEZNQCLSA-N 1 0 303.406 1.715 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)CCO1 ZINC000071821630 406846535 /nfs/dbraw/zinc/84/65/35/406846535.db2.gz ZRURDTZQGQXPDC-GFCCVEGCSA-N 1 0 318.421 1.612 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cn1 ZINC000071841816 406851285 /nfs/dbraw/zinc/85/12/85/406851285.db2.gz XHFUUGBPUZDADI-UHFFFAOYSA-N 1 0 304.438 1.952 50 0 DDAARO CCC[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012752014 406851672 /nfs/dbraw/zinc/85/16/72/406851672.db2.gz DXRKKIFKQCJYAA-MRXNPFEDSA-N 1 0 312.360 1.818 50 0 DDAARO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000071871752 406858273 /nfs/dbraw/zinc/85/82/73/406858273.db2.gz KZAVMOHIRZGVPG-JSGCOSHPSA-N 1 0 302.378 1.233 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)CC3(O)CCCCC3)C2)no1 ZINC000071876927 406860099 /nfs/dbraw/zinc/86/00/99/406860099.db2.gz UBXCWMDPFAXJFP-OAHLLOKOSA-N 1 0 322.453 1.969 50 0 DDAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)nc12 ZINC000071882080 406860675 /nfs/dbraw/zinc/86/06/75/406860675.db2.gz PKVNTACNHIWNBP-KBPBESRZSA-N 1 0 311.389 1.939 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)CSc2nc(C)cc(C)n2)CC1 ZINC000071893412 406862078 /nfs/dbraw/zinc/86/20/78/406862078.db2.gz OJOUTQMHBWHFNI-UHFFFAOYSA-N 1 0 308.451 1.740 50 0 DDAARO O=C(C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000014095146 406869621 /nfs/dbraw/zinc/86/96/21/406869621.db2.gz GXJGSQREPCQDKG-UHFFFAOYSA-N 1 0 305.334 1.202 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000072149708 406874763 /nfs/dbraw/zinc/87/47/63/406874763.db2.gz KHXMYSPSLDNUFL-QGZVFWFLSA-N 1 0 320.389 1.334 50 0 DDAARO O=C(Cc1ccc(F)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269092 406876239 /nfs/dbraw/zinc/87/62/39/406876239.db2.gz WMIJPUOGBLFERP-CVEARBPZSA-N 1 0 306.381 1.426 50 0 DDAARO O=C(NCCOc1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072274020 406877817 /nfs/dbraw/zinc/87/78/17/406877817.db2.gz RGTSLOJGOUMVQF-ZBFHGGJFSA-N 1 0 319.405 1.228 50 0 DDAARO COCC[N@H+](C)CCNC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000072318939 406881569 /nfs/dbraw/zinc/88/15/69/406881569.db2.gz ILZRZLYWDBEFPQ-UHFFFAOYSA-N 1 0 311.430 1.781 50 0 DDAARO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1nncs1 ZINC000072716350 406885768 /nfs/dbraw/zinc/88/57/68/406885768.db2.gz GDELNUVZHYTUEI-LBPRGKRZSA-N 1 0 310.423 1.900 50 0 DDAARO CC(C)[NH+]1CCC2(CC1)NC(=O)c1sccc1-n1nnnc12 ZINC000035615798 406974897 /nfs/dbraw/zinc/97/48/97/406974897.db2.gz KRCYOOFKMSAKIJ-UHFFFAOYSA-N 1 0 318.406 1.167 50 0 DDAARO O=C(Cc1ccc(F)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103428 406975177 /nfs/dbraw/zinc/97/51/77/406975177.db2.gz HVFOCVFCPICRNN-UHFFFAOYSA-N 1 0 320.408 1.939 50 0 DDAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CO)c(OC)c1 ZINC000032682376 406951743 /nfs/dbraw/zinc/95/17/43/406951743.db2.gz NJHMHZOAKJEEST-VBROQKIQSA-N 1 0 309.406 1.829 50 0 DDAARO CC(C)N1C[C@@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000036397833 406980672 /nfs/dbraw/zinc/98/06/72/406980672.db2.gz SWESXULUMGEAAI-UONOGXRCSA-N 1 0 323.462 1.724 50 0 DDAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](CC)CO)c(OC)c1 ZINC000033502448 406961535 /nfs/dbraw/zinc/96/15/35/406961535.db2.gz SSOTZYNVHANWFJ-FAKDPMAQSA-N 1 0 309.406 1.829 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1F ZINC000044502606 407025291 /nfs/dbraw/zinc/02/52/91/407025291.db2.gz PBRPFALHZLKOME-VIFPVBQESA-N 1 0 306.790 1.757 50 0 DDAARO CC(C)OCC[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000044871786 407031114 /nfs/dbraw/zinc/03/11/14/407031114.db2.gz JZPVUMPXNONOOA-LBPRGKRZSA-N 1 0 300.424 1.752 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccc(N(C)C)c1 ZINC000078552621 407033394 /nfs/dbraw/zinc/03/33/94/407033394.db2.gz OSUBLEVESJCXFI-UHFFFAOYSA-N 1 0 302.422 1.848 50 0 DDAARO CN(Cc1nc(-c2ccccc2)cs1)C[C@]1(O)CC[NH2+]C1 ZINC000077340446 406985211 /nfs/dbraw/zinc/98/52/11/406985211.db2.gz YSGAYOAFWOSQIE-INIZCTEOSA-N 1 0 303.431 1.966 50 0 DDAARO CCCCS(=O)(=O)NCCNc1cc(NCC)[nH+]c(C)n1 ZINC000038488320 407000671 /nfs/dbraw/zinc/00/06/71/407000671.db2.gz PVPORMBMEDIOPE-UHFFFAOYSA-N 1 0 315.443 1.348 50 0 DDAARO Cc1cccc(N2CCN(C[C@]3(O)CCC[N@@H+](C)C3)CC2)c1 ZINC000041124052 407005275 /nfs/dbraw/zinc/00/52/75/407005275.db2.gz FFQROCJKVDPWSO-SFHVURJKSA-N 1 0 303.450 1.574 50 0 DDAARO C[N@@H+]1CCCN(C(=O)Nc2nnc(-c3ccco3)s2)CC1 ZINC000048261795 407092357 /nfs/dbraw/zinc/09/23/57/407092357.db2.gz ZYNHOIIJZDCHSS-UHFFFAOYSA-N 1 0 307.379 1.968 50 0 DDAARO COc1cc(CN2CC[NH+](C[C@@H](O)C3CC3)CC2)cc(OC)c1 ZINC000085436868 407100844 /nfs/dbraw/zinc/10/08/44/407100844.db2.gz YWNIXYFMCHYQBC-GOSISDBHSA-N 1 0 320.433 1.592 50 0 DDAARO CC1(C)Cc2cccc(C[NH2+]CC3(C(N)=O)CCOCC3)c2O1 ZINC000086250628 407108616 /nfs/dbraw/zinc/10/86/16/407108616.db2.gz IMFFAVWCJXLNBU-UHFFFAOYSA-N 1 0 318.417 1.772 50 0 DDAARO OCC[NH+]1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000047916098 407083469 /nfs/dbraw/zinc/08/34/69/407083469.db2.gz VKYWFUJSFPHBHE-UHFFFAOYSA-N 1 0 319.232 1.982 50 0 DDAARO CC[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000047980411 407085287 /nfs/dbraw/zinc/08/52/87/407085287.db2.gz 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/nfs/dbraw/zinc/17/18/31/407171831.db2.gz IUARUTZICAVBRO-VIFPVBQESA-N 1 0 312.215 1.866 50 0 DDAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2ccnc2)s1 ZINC000055392915 407203319 /nfs/dbraw/zinc/20/33/19/407203319.db2.gz DZHNUUYRSQTPQR-UHFFFAOYSA-N 1 0 306.435 1.843 50 0 DDAARO Cc1cc(C)c2c(ncnc2NC[C@@H]2COCC[N@@H+](C)C2)n1 ZINC000095354117 407208391 /nfs/dbraw/zinc/20/83/91/407208391.db2.gz ROBWGYUMNYXGSX-ZDUSSCGKSA-N 1 0 301.394 1.632 50 0 DDAARO CCc1cnc(N2CCC3(CC2)C[N@H+](C)CCCN3C)nc1 ZINC000095366435 407209752 /nfs/dbraw/zinc/20/97/52/407209752.db2.gz XDCPMESUINAMJT-UHFFFAOYSA-N 1 0 303.454 1.645 50 0 DDAARO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000095370773 407210171 /nfs/dbraw/zinc/21/01/71/407210171.db2.gz CJZMUZXBVPQTPE-WCQYABFASA-N 1 0 311.813 1.687 50 0 DDAARO Cc1cc(C)c2c(ncnc2NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000095383460 407212209 /nfs/dbraw/zinc/21/22/09/407212209.db2.gz GKOGZRDHDNLAQC-AWEZNQCLSA-N 1 0 315.421 1.900 50 0 DDAARO Cc1cnc(C)c(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095498685 407213869 /nfs/dbraw/zinc/21/38/69/407213869.db2.gz WKZLVMYKKKKFPI-KRWDZBQOSA-N 1 0 312.417 1.777 50 0 DDAARO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000095975032 407219682 /nfs/dbraw/zinc/21/96/82/407219682.db2.gz JKORMYSATIEDDK-NVXWUHKLSA-N 1 0 323.481 1.288 50 0 DDAARO O=C(C[NH2+]C1(Cc2ccccc2)CCCC1)N1CCOCC1 ZINC000096014171 407224604 /nfs/dbraw/zinc/22/46/04/407224604.db2.gz ROOCYHSUAIWIAY-UHFFFAOYSA-N 1 0 302.418 1.990 50 0 DDAARO COC(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000066188743 407247581 /nfs/dbraw/zinc/24/75/81/407247581.db2.gz VLCLECQBPSOQRG-CQSZACIVSA-N 1 0 324.425 1.097 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCOC3)cc2)CC1 ZINC000096436385 407265469 /nfs/dbraw/zinc/26/54/69/407265469.db2.gz XLTUWKDFMVBBKX-MRXNPFEDSA-N 1 0 317.433 1.737 50 0 DDAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CCOCC2)C1 ZINC000096444928 407267583 /nfs/dbraw/zinc/26/75/83/407267583.db2.gz 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C[N@@H+]1CCN(C(=O)c2ccc(-c3cnco3)cc2)C[C@@H](O)C1 ZINC000097679799 407301062 /nfs/dbraw/zinc/30/10/62/407301062.db2.gz VMWTZXDFMQFFDX-AWEZNQCLSA-N 1 0 301.346 1.090 50 0 DDAARO COc1ccc(Cl)c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1 ZINC000124047876 407346869 /nfs/dbraw/zinc/34/68/69/407346869.db2.gz OERXYHYOIQKLDO-UHFFFAOYSA-N 1 0 318.826 1.898 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000124313675 407354412 /nfs/dbraw/zinc/35/44/12/407354412.db2.gz UWOWIKKNRZRMHP-WBVHZDCISA-N 1 0 317.433 1.098 50 0 DDAARO Cc1noc(C)c1CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106838910 407362059 /nfs/dbraw/zinc/36/20/59/407362059.db2.gz AXJOIZCFEVOIAT-KBPBESRZSA-N 1 0 322.409 1.296 50 0 DDAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)n1 ZINC000126166320 407406907 /nfs/dbraw/zinc/40/69/07/407406907.db2.gz AFNLPFJAJCNDCM-HNNXBMFYSA-N 1 0 312.417 1.982 50 0 DDAARO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(=O)[nH]1 ZINC000253630184 407465405 /nfs/dbraw/zinc/46/54/05/407465405.db2.gz 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CC(C)NC(=O)Nc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000071883793 406860992 /nfs/dbraw/zinc/86/09/92/406860992.db2.gz TWFYRISXMBUSPQ-UHFFFAOYSA-N 1 0 320.437 1.843 50 0 DDAARO CC(C)(C)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000071920348 406868330 /nfs/dbraw/zinc/86/83/30/406868330.db2.gz AZJDVXFYXIXSOR-JTQLQIEISA-N 1 0 320.393 1.264 50 0 DDAARO O=C(NCCO)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000072271351 406877633 /nfs/dbraw/zinc/87/76/33/406877633.db2.gz VSZFYUYEIZVLGY-UHFFFAOYSA-N 1 0 309.385 1.329 50 0 DDAARO O=C(NCCOc1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072274019 406877827 /nfs/dbraw/zinc/87/78/27/406877827.db2.gz RGTSLOJGOUMVQF-GDBMZVCRSA-N 1 0 319.405 1.228 50 0 DDAARO Cc1nn(C)c2nc(C)nc(N3CCC[N@@H+](C(C)C)CC3)c12 ZINC000072434443 406883438 /nfs/dbraw/zinc/88/34/38/406883438.db2.gz MKJIHIFFYYIVIR-UHFFFAOYSA-N 1 0 302.426 1.901 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000019299788 406885394 /nfs/dbraw/zinc/88/53/94/406885394.db2.gz FPHFWYOPNCKCIA-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/09/58/70/407095870.db2.gz DEXOXOLTYDBEKI-UHFFFAOYSA-N 1 0 312.435 1.835 50 0 DDAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C(N)=O)CCOCC2)o1 ZINC000086250248 407109412 /nfs/dbraw/zinc/10/94/12/407109412.db2.gz NWKXNTSKACZVDD-UHFFFAOYSA-N 1 0 318.377 1.350 50 0 DDAARO Cc1cc(F)ccc1CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000087102671 407117164 /nfs/dbraw/zinc/11/71/64/407117164.db2.gz WXYITIWOCNGKEU-MRXNPFEDSA-N 1 0 322.428 1.222 50 0 DDAARO Cc1csc(=O)n1CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000046860318 407065183 /nfs/dbraw/zinc/06/51/83/407065183.db2.gz WULRHZLYLLUMBZ-LBPRGKRZSA-N 1 0 311.451 1.599 50 0 DDAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081134508 407075178 /nfs/dbraw/zinc/07/51/78/407075178.db2.gz OWSKVSKPBZBSBT-MRVPVSSYSA-N 1 0 305.304 1.013 50 0 DDAARO Cc1n[nH]cc1C[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC000089534591 407138978 /nfs/dbraw/zinc/13/89/78/407138978.db2.gz IVWKTUDWZDTSCG-LBPRGKRZSA-N 1 0 317.315 1.381 50 0 DDAARO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000089632753 407141930 /nfs/dbraw/zinc/14/19/30/407141930.db2.gz HZRPTHFZIJWYEF-CHWSQXEVSA-N 1 0 324.446 1.897 50 0 DDAARO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)N[C@@H]1CCSC1=O ZINC000089904287 407156953 /nfs/dbraw/zinc/15/69/53/407156953.db2.gz UBNYFXINPVEUBT-CMPLNLGQSA-N 1 0 312.460 1.759 50 0 DDAARO CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CC[N@H+](C)C[C@@H]1C ZINC000089942748 407161306 /nfs/dbraw/zinc/16/13/06/407161306.db2.gz RCYDHLWGUYPSTC-IHRRRGAJSA-N 1 0 307.442 1.817 50 0 DDAARO CC[C@@H](C)Oc1c(C[NH2+]CCN2CCNC2=O)cccc1OC ZINC000055383874 407202197 /nfs/dbraw/zinc/20/21/97/407202197.db2.gz ZHJHRRKMWYHGGN-CYBMUJFWSA-N 1 0 321.421 1.987 50 0 DDAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(Cn2ccnc2)CC1 ZINC000095369073 407209626 /nfs/dbraw/zinc/20/96/26/407209626.db2.gz LWZWFQHQIBIZBL-HNNXBMFYSA-N 1 0 320.437 1.111 50 0 DDAARO CCC[NH+]1CCC(CC(=O)NCCc2cc(=O)[nH]c(C)n2)CC1 ZINC000095370680 407209636 /nfs/dbraw/zinc/20/96/36/407209636.db2.gz 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/nfs/dbraw/zinc/23/93/86/407239386.db2.gz WEEVQAYLUMIIER-CYBMUJFWSA-N 1 0 300.366 1.211 50 0 DDAARO OC[C@H]1CCCC[N@@H+]1CCNc1nccc(-c2ccccn2)n1 ZINC000096163422 407242785 /nfs/dbraw/zinc/24/27/85/407242785.db2.gz PALXVOUSZLPBHR-CQSZACIVSA-N 1 0 313.405 1.797 50 0 DDAARO CC(C)[N@H+](C)C[C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000065434363 407242855 /nfs/dbraw/zinc/24/28/55/407242855.db2.gz MSKNCAOOWUHDLH-CYBMUJFWSA-N 1 0 302.426 1.920 50 0 DDAARO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000065464507 407243632 /nfs/dbraw/zinc/24/36/32/407243632.db2.gz DGADEZVTGXAZIK-UHFFFAOYSA-N 1 0 314.389 1.612 50 0 DDAARO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(Cl)cc1F ZINC000096483362 407271837 /nfs/dbraw/zinc/27/18/37/407271837.db2.gz VZOVTNBKGNUGFO-NSHDSACASA-N 1 0 306.790 1.803 50 0 DDAARO CC(C)n1ccnc1CN1CCC([NH+]2CCC(O)CC2)CC1 ZINC000067654784 407278912 /nfs/dbraw/zinc/27/89/12/407278912.db2.gz YNYSBHJMLUFNCW-UHFFFAOYSA-N 1 0 306.454 1.885 50 0 DDAARO CC[N@@H+]1CCc2c(cccc2NC(=O)C2(C(=O)OC)CC2)C1 ZINC000097146585 407283445 /nfs/dbraw/zinc/28/34/45/407283445.db2.gz OSCZPMZUFXWQNJ-UHFFFAOYSA-N 1 0 302.374 1.956 50 0 DDAARO CS(=O)(=O)NC1CC[NH+](CCc2ccccc2F)CC1 ZINC000097162625 407283842 /nfs/dbraw/zinc/28/38/42/407283842.db2.gz DARJXFXGZLLQKI-UHFFFAOYSA-N 1 0 300.399 1.382 50 0 DDAARO CCCC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)nc3ncccn32)C1 ZINC000067784932 407284383 /nfs/dbraw/zinc/28/43/83/407284383.db2.gz AZZKVXDWVJGLNF-AWEZNQCLSA-N 1 0 315.421 1.890 50 0 DDAARO CCc1nnsc1C(=O)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067804146 407285369 /nfs/dbraw/zinc/28/53/69/407285369.db2.gz VWVZLWIWJXEKLG-LLVKDONJSA-N 1 0 320.418 1.945 50 0 DDAARO Cc1cccc(CSCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000097694658 407301664 /nfs/dbraw/zinc/30/16/64/407301664.db2.gz CQCVUTVHPGCMLX-HUUCEWRRSA-N 1 0 308.447 1.457 50 0 DDAARO COc1ccccc1-n1cc(CN2CCO[C@H](C[NH3+])C2)cn1 ZINC000097711790 407301988 /nfs/dbraw/zinc/30/19/88/407301988.db2.gz VNWNWZAOXYVYEP-CQSZACIVSA-N 1 0 302.378 1.040 50 0 DDAARO [NH3+]Cc1ccc(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)cc1 ZINC000097766675 407302197 /nfs/dbraw/zinc/30/21/97/407302197.db2.gz RJBYSXYQRCGSBI-GOSISDBHSA-N 1 0 324.428 1.994 50 0 DDAARO O=C(Nc1cc(F)cc2c1NC(=O)CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097772807 407302607 /nfs/dbraw/zinc/30/26/07/407302607.db2.gz SMYQPOPOMYCLOE-PHIMTYICSA-N 1 0 318.352 1.394 50 0 DDAARO COCc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ncn1 ZINC000181050969 306697291 /nfs/dbraw/zinc/69/72/91/306697291.db2.gz AYTHIYASMZHLEH-CQSZACIVSA-N 1 0 319.409 1.715 50 0 DDAARO CC[C@@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1C[C@H](C)O ZINC000106840026 407362611 /nfs/dbraw/zinc/36/26/11/407362611.db2.gz MZNZZVBNIJPZSB-UONOGXRCSA-N 1 0 300.406 1.911 50 0 DDAARO CC[C@@H]1CN(CCOc2cccc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000106906841 407366058 /nfs/dbraw/zinc/36/60/58/407366058.db2.gz NAMCTFSJKVFXLY-GOEBONIOSA-N 1 0 310.413 1.982 50 0 DDAARO COc1ccccc1-c1ncc(CN2CCOC[C@@H]2CO)cn1 ZINC000214987942 407481285 /nfs/dbraw/zinc/48/12/85/407481285.db2.gz 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CC1CC[NH+](C[C@H](O)CN2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069697396 406756282 /nfs/dbraw/zinc/75/62/82/406756282.db2.gz AWGUJNUKOFXHFG-IRXDYDNUSA-N 1 0 321.469 1.083 50 0 DDAARO COCC[N@H+](C)CCNC(=O)c1cc(C)nc2ccccc21 ZINC000069704416 406761216 /nfs/dbraw/zinc/76/12/16/406761216.db2.gz PCTAKCUAPVBVOH-UHFFFAOYSA-N 1 0 301.390 1.851 50 0 DDAARO c1ncn(-c2ccc(C[NH2+]C[C@H]3CN(C4CC4)CCO3)cc2)n1 ZINC000069738477 406762180 /nfs/dbraw/zinc/76/21/80/406762180.db2.gz RZQGKGXOVOGTIB-KRWDZBQOSA-N 1 0 313.405 1.220 50 0 DDAARO CC[C@H](CNC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000069740468 406765284 /nfs/dbraw/zinc/76/52/84/406765284.db2.gz BAKDTTONFCIYIE-NVXWUHKLSA-N 1 0 319.449 1.217 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC000069455058 406714182 /nfs/dbraw/zinc/71/41/82/406714182.db2.gz ATFLHHAUVOHSCA-JSGCOSHPSA-N 1 0 305.426 1.736 50 0 DDAARO C[NH+]1CCN(c2nc3ccccc3c(N3CCOCC3)n2)CC1 ZINC000004755596 406729826 /nfs/dbraw/zinc/72/98/26/406729826.db2.gz 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C[C@@H](CCC(=O)NCc1ccc(C(N)=O)cc1)[NH+]1CCCC1 ZINC000426399026 228567812 /nfs/dbraw/zinc/56/78/12/228567812.db2.gz LEXLFUGQIXYQEB-ZDUSSCGKSA-N 1 0 303.406 1.666 50 0 DDAARO C[NH2+]CC(=O)N1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426728249 419539998 /nfs/dbraw/zinc/53/99/98/419539998.db2.gz IXIAMXYBMUPSAV-SFHVURJKSA-N 1 0 321.465 1.627 50 0 DDAARO Cc1ccc(N2CC[C@H](C(=O)N(C)[C@H]3CC[NH2+]C3)C2=O)cc1C ZINC000299739135 229373052 /nfs/dbraw/zinc/37/30/52/229373052.db2.gz KYMGTRWMTGXZSJ-JKSUJKDBSA-N 1 0 315.417 1.477 50 0 DDAARO Cc1nc([C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2F)no1 ZINC000299740059 229373947 /nfs/dbraw/zinc/37/39/47/229373947.db2.gz VCWFTDBKFVNHBJ-UHIISALHSA-N 1 0 318.352 1.850 50 0 DDAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000450931322 420563222 /nfs/dbraw/zinc/56/32/22/420563222.db2.gz ANAFVQDLXZMWRS-ZDUSSCGKSA-N 1 0 314.389 1.899 50 0 DDAARO CCO[C@H]1COC[C@@H]1Nc1nc(N2CCCC2)[nH+]c(C)c1C ZINC000534662556 421694587 /nfs/dbraw/zinc/69/45/87/421694587.db2.gz 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CC[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)[C@H]1COC[C@@H]1O ZINC000071315420 406837268 /nfs/dbraw/zinc/83/72/68/406837268.db2.gz LYVHGJDBSNGBCC-HOTGVXAUSA-N 1 0 302.374 1.418 50 0 DDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccco2)CC1 ZINC000071822716 406847355 /nfs/dbraw/zinc/84/73/55/406847355.db2.gz MIBUDQDPLSCDFZ-AWEZNQCLSA-N 1 0 308.426 1.352 50 0 DDAARO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000012579386 406848058 /nfs/dbraw/zinc/84/80/58/406848058.db2.gz FRPZATRRUBZTSD-OAHLLOKOSA-N 1 0 320.437 1.271 50 0 DDAARO CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)C1 ZINC000071870371 406856323 /nfs/dbraw/zinc/85/63/23/406856323.db2.gz GZYDXMHOJNILHX-HRCADAONSA-N 1 0 307.438 1.330 50 0 DDAARO CC(=O)N1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000014200957 406873367 /nfs/dbraw/zinc/87/33/67/406873367.db2.gz WYONIYRYJFYAGS-QGZVFWFLSA-N 1 0 306.406 1.118 50 0 DDAARO O=C(CCc1cccs1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269118 406875635 /nfs/dbraw/zinc/87/56/35/406875635.db2.gz 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C[NH+](C)CCCNS(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC000036364940 406979743 /nfs/dbraw/zinc/97/97/43/406979743.db2.gz TXWSKGBQPLKWEF-UHFFFAOYSA-N 1 0 308.407 1.102 50 0 DDAARO Cc1ccc(S(=O)(=O)N(C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000031903750 406943446 /nfs/dbraw/zinc/94/34/46/406943446.db2.gz IHUYFKIORSRPOT-AWEZNQCLSA-N 1 0 312.435 1.072 50 0 DDAARO COCCC[N@H+](C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000078771366 407044297 /nfs/dbraw/zinc/04/42/97/407044297.db2.gz HGXHSMOMEXRGMV-AWEZNQCLSA-N 1 0 308.426 1.880 50 0 DDAARO C[C@@H](CNS(=O)(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000045744900 407048274 /nfs/dbraw/zinc/04/82/74/407048274.db2.gz XHODJLOPBHOTNE-GJZGRUSLSA-N 1 0 317.499 1.673 50 0 DDAARO CO[C@@H](C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000077441795 406991009 /nfs/dbraw/zinc/99/10/09/406991009.db2.gz GIJWEXYUNJAFKF-XJKSGUPXSA-N 1 0 320.437 1.761 50 0 DDAARO CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037798088 406993873 /nfs/dbraw/zinc/99/38/73/406993873.db2.gz IBBSDRKHRFMDEZ-PWSUYJOCSA-N 1 0 313.195 1.130 50 0 DDAARO O=C(c1cc(Br)c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000037845585 406994159 /nfs/dbraw/zinc/99/41/59/406994159.db2.gz TUBLJZGTEMPNDL-UHFFFAOYSA-N 1 0 312.211 1.945 50 0 DDAARO Cc1cccc(OCC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000048284598 407094006 /nfs/dbraw/zinc/09/40/06/407094006.db2.gz ZVMOKAZLAMPMAN-UHFFFAOYSA-N 1 0 306.406 1.602 50 0 DDAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)NC(C)(C)C)CC1 ZINC000085468300 407102683 /nfs/dbraw/zinc/10/26/83/407102683.db2.gz XODBOMMXLITBOI-AWEZNQCLSA-N 1 0 310.486 1.842 50 0 DDAARO CN1CC[C@@H](C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC000046948967 407067881 /nfs/dbraw/zinc/06/78/81/407067881.db2.gz FFGLCBOXOIWTGN-HUUCEWRRSA-N 1 0 309.454 1.482 50 0 DDAARO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089894262 407156131 /nfs/dbraw/zinc/15/61/31/407156131.db2.gz SLQYQLQKMJCNDW-LSDHHAIUSA-N 1 0 320.433 1.746 50 0 DDAARO Cc1n[nH]cc1CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000096404174 407259751 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C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3COCCO3)cc21 ZINC000096418426 407262905 /nfs/dbraw/zinc/26/29/05/407262905.db2.gz BNLVXVXHPQSPDY-INIZCTEOSA-N 1 0 317.389 1.557 50 0 DDAARO C[N@H+](CCn1cncn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096445680 407267832 /nfs/dbraw/zinc/26/78/32/407267832.db2.gz RNJTWTLAAXBIEH-UHFFFAOYSA-N 1 0 309.414 1.609 50 0 DDAARO O=C(C1CCCC1)N1CCN(CC[NH2+][C@H]2CCSC2)CC1 ZINC000096477535 407270884 /nfs/dbraw/zinc/27/08/84/407270884.db2.gz BZTFIHCINWPKTQ-HNNXBMFYSA-N 1 0 311.495 1.416 50 0 DDAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(OCC(F)F)ccn1 ZINC000096496491 407273555 /nfs/dbraw/zinc/27/35/55/407273555.db2.gz KRQZMCHHAOUBDU-NSHDSACASA-N 1 0 313.348 1.749 50 0 DDAARO Cc1cccc2nc(C[NH2+][C@H]3CCCC[C@@H]3C(N)=O)cc(=O)n12 ZINC000097103554 407280039 /nfs/dbraw/zinc/28/00/39/407280039.db2.gz NJAROQQUAYCIEZ-KBPBESRZSA-N 1 0 314.389 1.137 50 0 DDAARO O=C(NCc1noc(-c2ccco2)n1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000067691015 407280423 /nfs/dbraw/zinc/28/04/23/407280423.db2.gz 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CCn1cc(NC(=O)C2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000065608916 184372640 /nfs/dbraw/zinc/37/26/40/184372640.db2.gz RVKJBHBJSTWVLI-UHFFFAOYSA-N 1 0 308.426 1.979 50 0 DDAARO C[C@@H]1CCCC[C@@H]1OCCN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261840506 296343510 /nfs/dbraw/zinc/34/35/10/296343510.db2.gz WMTBJPXNQWXTHT-OAGGEKHMSA-N 1 0 306.454 1.962 50 0 DDAARO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CC[NH2+]C(C)(C)C2)c1C ZINC000119636002 195007900 /nfs/dbraw/zinc/00/79/00/195007900.db2.gz NZOYXTDZNQENEE-UHFFFAOYSA-N 1 0 324.446 1.531 50 0 DDAARO Cc1ccc(-n2cc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])nn2)cc1 ZINC000237659090 257238277 /nfs/dbraw/zinc/23/82/77/257238277.db2.gz IOYRQKOYHARNDY-BBRMVZONSA-N 1 0 313.405 1.775 50 0 DDAARO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236733553 257239532 /nfs/dbraw/zinc/23/95/32/257239532.db2.gz MBDMMRDBQYEJNN-QWHCGFSZSA-N 1 0 312.435 1.974 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000071874835 184880045 /nfs/dbraw/zinc/88/00/45/184880045.db2.gz RQLKEIWBIAXSJP-LLVKDONJSA-N 1 0 307.785 1.857 50 0 DDAARO c1coc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 ZINC000058328237 285563660 /nfs/dbraw/zinc/56/36/60/285563660.db2.gz FPUKLTTYLMQXHK-HUUCEWRRSA-N 1 0 315.421 1.945 50 0 DDAARO CC(C)n1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)cn1 ZINC000222900329 407561346 /nfs/dbraw/zinc/56/13/46/407561346.db2.gz VPUWRWSRSXUWKP-OAHLLOKOSA-N 1 0 307.442 1.106 50 0 DDAARO COCC1(CNc2cc(C3CC([NH3+])C3)nc(N)n2)CCCC1 ZINC000223319293 407568860 /nfs/dbraw/zinc/56/88/60/407568860.db2.gz HFIXNACOGQJDCO-UHFFFAOYSA-N 1 0 305.426 1.882 50 0 DDAARO Nc1cc(N)[nH+]c(SCc2nc(-c3ccccc3)no2)n1 ZINC000000092402 406620984 /nfs/dbraw/zinc/62/09/84/406620984.db2.gz PKMRZCLBZGNIPK-UHFFFAOYSA-N 1 0 300.347 1.983 50 0 DDAARO CCCC[C@@]1(C(=O)OCC)C[C@H](CSC(N)=[NH2+])OC1=O ZINC000001905147 406680943 /nfs/dbraw/zinc/68/09/43/406680943.db2.gz VBPUCZORUYLSTE-RNCFNFMXSA-N 1 0 302.396 1.668 50 0 DDAARO CCOc1cc(C[NH2+]CCO)ccc1OCC(=O)NC(C)(C)C ZINC000002177960 406685485 /nfs/dbraw/zinc/68/54/85/406685485.db2.gz HZMQPMUJWFIZKL-UHFFFAOYSA-N 1 0 324.421 1.461 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000069373807 406701737 /nfs/dbraw/zinc/70/17/37/406701737.db2.gz YDCYHDWCWZUSBE-QWHCGFSZSA-N 1 0 319.361 1.030 50 0 DDAARO COc1ccc([C@@H](O)C[NH2+]C[C@@H]2CNc3cc(C)nn3C2)cc1 ZINC000069560801 406734207 /nfs/dbraw/zinc/73/42/07/406734207.db2.gz NKLRKPZKKYCQCS-CJNGLKHVSA-N 1 0 316.405 1.565 50 0 DDAARO CN1CCO[C@@H](C[NH2+]CC(=O)N(C2=CCCCC2)C2CC2)C1 ZINC000069569161 406737160 /nfs/dbraw/zinc/73/71/60/406737160.db2.gz OEFYWPALRVDXDS-INIZCTEOSA-N 1 0 307.438 1.356 50 0 DDAARO C[C@@H](C(=O)N1CCOCC1)[N@H+](C)CCN(C)c1ccccc1 ZINC000069584940 406739083 /nfs/dbraw/zinc/73/90/83/406739083.db2.gz KPTMWBGULQADKZ-HNNXBMFYSA-N 1 0 305.422 1.302 50 0 DDAARO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)cc2)n1 ZINC000069738476 406762327 /nfs/dbraw/zinc/76/23/27/406762327.db2.gz RZQGKGXOVOGTIB-QGZVFWFLSA-N 1 0 313.405 1.220 50 0 DDAARO Cn1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c(-c2ccncc2)n1 ZINC000069741058 406766396 /nfs/dbraw/zinc/76/63/96/406766396.db2.gz NVEJQTBZFDSGHD-CQSZACIVSA-N 1 0 309.377 1.178 50 0 DDAARO CC[C@@H](CNC(=O)CSCc1noc(C)n1)[NH+]1CCCC1 ZINC000069509276 406726337 /nfs/dbraw/zinc/72/63/37/406726337.db2.gz WHLBPCQCGZXTOT-LBPRGKRZSA-N 1 0 312.439 1.602 50 0 DDAARO Cc1cc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)on1 ZINC000069842500 406777762 /nfs/dbraw/zinc/77/77/62/406777762.db2.gz LHPCJKWVYFUOHY-ZDUSSCGKSA-N 1 0 317.393 1.998 50 0 DDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000069875237 406785487 /nfs/dbraw/zinc/78/54/87/406785487.db2.gz FVAVWRKCRMYYBC-KFWWJZLASA-N 1 0 317.437 1.364 50 0 DDAARO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C)CC1 ZINC000008318387 406786343 /nfs/dbraw/zinc/78/63/43/406786343.db2.gz HWDYEJFGAUSZNH-LLVKDONJSA-N 1 0 302.378 1.915 50 0 DDAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000069927246 406793270 /nfs/dbraw/zinc/79/32/70/406793270.db2.gz PNVFELLEYGOPPQ-CVEARBPZSA-N 1 0 307.438 1.474 50 0 DDAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000070036384 406804241 /nfs/dbraw/zinc/80/42/41/406804241.db2.gz OWFZNLZMSPNSCJ-LLVKDONJSA-N 1 0 318.381 1.241 50 0 DDAARO C[C@H]([C@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1)n1cccn1 ZINC000069969843 406799399 /nfs/dbraw/zinc/79/93/99/406799399.db2.gz PPOAZKUPBPNXTK-QWHCGFSZSA-N 1 0 302.378 1.487 50 0 DDAARO COc1ccccc1CN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000009485634 406808978 /nfs/dbraw/zinc/80/89/78/406808978.db2.gz NGGAMGQHTFYBQD-PWSUYJOCSA-N 1 0 312.416 1.344 50 0 DDAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1cccnc1 ZINC000010312725 406820539 /nfs/dbraw/zinc/82/05/39/406820539.db2.gz COJHXTIGQYFDSJ-UHFFFAOYSA-N 1 0 312.373 1.625 50 0 DDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH+]1CCCC1 ZINC000011879183 406832285 /nfs/dbraw/zinc/83/22/85/406832285.db2.gz LZEJNHXCSBNMCC-KRWDZBQOSA-N 1 0 324.371 1.914 50 0 DDAARO CC[NH+](CC)CC(=O)N1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000012027072 406833345 /nfs/dbraw/zinc/83/33/45/406833345.db2.gz VRPSDZKSPOQZIW-INIZCTEOSA-N 1 0 308.397 1.937 50 0 DDAARO COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000071385413 406838757 /nfs/dbraw/zinc/83/87/57/406838757.db2.gz KWHAILCNAZMEAH-UONOGXRCSA-N 1 0 306.406 1.921 50 0 DDAARO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCNC1=O ZINC000071824811 406847796 /nfs/dbraw/zinc/84/77/96/406847796.db2.gz XQXMNOQYVZROOZ-CYBMUJFWSA-N 1 0 321.808 1.899 50 0 DDAARO Cc1ccccc1OCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000071867451 406856761 /nfs/dbraw/zinc/85/67/61/406856761.db2.gz VWIVEPFNZZEQCI-OAHLLOKOSA-N 1 0 305.422 1.126 50 0 DDAARO O[C@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000071897340 406864099 /nfs/dbraw/zinc/86/40/99/406864099.db2.gz OFADHTUGHMZCFK-QZTJIDSGSA-N 1 0 304.434 1.907 50 0 DDAARO Cc1nnc(CCNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)s1 ZINC000072158462 406874537 /nfs/dbraw/zinc/87/45/37/406874537.db2.gz IILVAECPRWVJMY-LBPRGKRZSA-N 1 0 316.430 1.896 50 0 DDAARO O=C(CCn1cncn1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015080590 406879055 /nfs/dbraw/zinc/87/90/55/406879055.db2.gz WHQPAJWQZHWONM-HNNXBMFYSA-N 1 0 319.453 1.972 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000072298355 406879640 /nfs/dbraw/zinc/87/96/40/406879640.db2.gz LNFHIGQRCFJXDI-HOCLYGCPSA-N 1 0 303.410 1.638 50 0 DDAARO NC(=O)c1cccnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000022977264 406890461 /nfs/dbraw/zinc/89/04/61/406890461.db2.gz NHLVDUNDDXDOHW-UHFFFAOYSA-N 1 0 310.401 1.545 50 0 DDAARO O=C(CCn1cncn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000025527773 406898896 /nfs/dbraw/zinc/89/88/96/406898896.db2.gz AZMUQOVLGLBJQW-UHFFFAOYSA-N 1 0 313.405 1.449 50 0 DDAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000026467538 406905030 /nfs/dbraw/zinc/90/50/30/406905030.db2.gz KJRLUTRCJCKMQJ-NSHDSACASA-N 1 0 323.824 1.542 50 0 DDAARO CC(C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCC(=O)N1CC1CC1 ZINC000071498390 406840813 /nfs/dbraw/zinc/84/08/13/406840813.db2.gz UAHBQZDZFQWAFH-INIZCTEOSA-N 1 0 321.465 1.578 50 0 DDAARO [NH3+][C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000036297526 406978105 /nfs/dbraw/zinc/97/81/05/406978105.db2.gz UPLRYTYNTOQRNG-CYBMUJFWSA-N 1 0 312.341 1.943 50 0 DDAARO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1F ZINC000044492504 407024666 /nfs/dbraw/zinc/02/46/66/407024666.db2.gz BMBYYRFOOWXTAB-MRVPVSSYSA-N 1 0 308.325 1.524 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000044502589 407025335 /nfs/dbraw/zinc/02/53/35/407025335.db2.gz XMKVVFLQTJXWBT-SNVBAGLBSA-N 1 0 318.826 1.627 50 0 DDAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc[n+]1[O-] ZINC000078429176 407029142 /nfs/dbraw/zinc/02/91/42/407029142.db2.gz HUHNSMSYYVFCJJ-INIZCTEOSA-N 1 0 311.385 1.714 50 0 DDAARO CC[C@@H](CO)[NH+]1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000078524227 407031686 /nfs/dbraw/zinc/03/16/86/407031686.db2.gz OJEUMHIIAQITNC-ZDUSSCGKSA-N 1 0 304.369 1.662 50 0 DDAARO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000044895585 407031918 /nfs/dbraw/zinc/03/19/18/407031918.db2.gz JJRLMTCLMXDUBY-UHFFFAOYSA-N 1 0 315.377 1.060 50 0 DDAARO O[C@H](Cn1cccn1)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000044974926 407037734 /nfs/dbraw/zinc/03/77/34/407037734.db2.gz CQGYLNQBQNXSED-GJZGRUSLSA-N 1 0 321.446 1.987 50 0 DDAARO COc1ccccc1N1CCC([N@@H+]2CCOC[C@@H](CO)C2)CC1 ZINC000077299408 406983310 /nfs/dbraw/zinc/98/33/10/406983310.db2.gz FIBPDXLANJNADR-OAHLLOKOSA-N 1 0 320.433 1.605 50 0 DDAARO CC(C)n1cc(C(=O)NCCCOC2CC[NH+](C)CC2)cn1 ZINC000077459585 406992625 /nfs/dbraw/zinc/99/26/25/406992625.db2.gz DADUFAUYRCCXNI-UHFFFAOYSA-N 1 0 308.426 1.695 50 0 DDAARO Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077554844 406996539 /nfs/dbraw/zinc/99/65/39/406996539.db2.gz ALRRREGLVCOPAZ-MRXNPFEDSA-N 1 0 323.462 1.648 50 0 DDAARO Cc1ccc2cc(CCC(=O)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000041186234 407006642 /nfs/dbraw/zinc/00/66/42/407006642.db2.gz IHZVSGYYULJCLV-UHFFFAOYSA-N 1 0 315.417 1.837 50 0 DDAARO C[NH+](C)C[C@@H]1COCCN1C(=O)c1cnc2ccccc2n1 ZINC000085470136 407102820 /nfs/dbraw/zinc/10/28/20/407102820.db2.gz NFKDBAIITKBNOZ-GFCCVEGCSA-N 1 0 300.362 1.032 50 0 DDAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000047253426 407071849 /nfs/dbraw/zinc/07/18/49/407071849.db2.gz WJYRWUFJXQGEEP-FRRDWIJNSA-N 1 0 301.398 1.361 50 0 DDAARO CC[C@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047599478 407077522 /nfs/dbraw/zinc/07/75/22/407077522.db2.gz RVWZZMSFWYPNJE-ZIAGYGMSSA-N 1 0 309.410 1.877 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000084177528 407083762 /nfs/dbraw/zinc/08/37/62/407083762.db2.gz KHAICOHWJDLFGH-DOMZBBRYSA-N 1 0 324.446 1.421 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000089414147 407134029 /nfs/dbraw/zinc/13/40/29/407134029.db2.gz VESXUKKILXZYPJ-QGZVFWFLSA-N 1 0 320.433 1.849 50 0 DDAARO CC1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000089596691 407141336 /nfs/dbraw/zinc/14/13/36/407141336.db2.gz CGICRVDOFCTTGW-ZIAGYGMSSA-N 1 0 318.483 1.643 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000089632752 407142451 /nfs/dbraw/zinc/14/24/51/407142451.db2.gz HZRPTHFZIJWYEF-QWHCGFSZSA-N 1 0 324.446 1.897 50 0 DDAARO COCCn1cc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cn1 ZINC000089702146 407144496 /nfs/dbraw/zinc/14/44/96/407144496.db2.gz NLRAYCSMXYPVCA-HNNXBMFYSA-N 1 0 303.410 1.702 50 0 DDAARO Cc1cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nc(N)[nH+]1 ZINC000052471098 407151609 /nfs/dbraw/zinc/15/16/09/407151609.db2.gz HFBJGNKHZMOIIB-UHFFFAOYSA-N 1 0 320.784 1.311 50 0 DDAARO NC(=O)c1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000089866454 407154584 /nfs/dbraw/zinc/15/45/84/407154584.db2.gz PTGABKXDZSERMR-JTQLQIEISA-N 1 0 304.371 1.777 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000089941278 407161291 /nfs/dbraw/zinc/16/12/91/407161291.db2.gz CIIOGAAYJPWCKF-GHMZBOCLSA-N 1 0 316.373 1.822 50 0 DDAARO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 ZINC000090883040 407172344 /nfs/dbraw/zinc/17/23/44/407172344.db2.gz YUGKHXKAJXCUDX-NSHDSACASA-N 1 0 311.403 1.891 50 0 DDAARO C[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000054147707 407179244 /nfs/dbraw/zinc/17/92/44/407179244.db2.gz PSFAFGCMDJOVPC-UHFFFAOYSA-N 1 0 315.377 1.275 50 0 DDAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095367051 407209691 /nfs/dbraw/zinc/20/96/91/407209691.db2.gz DSUKRHBVZCYSFG-CQSZACIVSA-N 1 0 323.404 1.839 50 0 DDAARO CCc1[nH+]c(N)nc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c1C ZINC000095365876 407210247 /nfs/dbraw/zinc/21/02/47/407210247.db2.gz OUWQXLBAKLXPBC-HNNXBMFYSA-N 1 0 305.382 1.351 50 0 DDAARO CSCCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000095385471 407212236 /nfs/dbraw/zinc/21/22/36/407212236.db2.gz KBNUTSNKCVUIJK-ZIAGYGMSSA-N 1 0 320.462 1.766 50 0 DDAARO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC000095969339 407218736 /nfs/dbraw/zinc/21/87/36/407218736.db2.gz ZBFPXQRFUCLSJM-CZUORRHYSA-N 1 0 318.417 1.910 50 0 DDAARO C[C@H](NS(C)(=O)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058266097 407219891 /nfs/dbraw/zinc/21/98/91/407219891.db2.gz VUGAETNBQFIIQW-NSHDSACASA-N 1 0 315.414 1.188 50 0 DDAARO Cc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(N)[nH+]1 ZINC000058325081 407219986 /nfs/dbraw/zinc/21/99/86/407219986.db2.gz DDDRMMWFYMUBCQ-UHFFFAOYSA-N 1 0 317.437 1.986 50 0 DDAARO CNC(=O)NC(=O)CC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000058343114 407220645 /nfs/dbraw/zinc/22/06/45/407220645.db2.gz MNGGHRHTMNHKFE-UHFFFAOYSA-N 1 0 307.394 1.590 50 0 DDAARO CCc1ncc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000095984865 407221393 /nfs/dbraw/zinc/22/13/93/407221393.db2.gz UCMCJMCSQZWAAN-CYBMUJFWSA-N 1 0 303.410 1.989 50 0 DDAARO CCOC(=O)CCN1CCC([NH2+]C[C@](C)(CC)[C@@H](C)O)CC1 ZINC000095986491 407221438 /nfs/dbraw/zinc/22/14/38/407221438.db2.gz OTQWNYDLXGUBQW-PBHICJAKSA-N 1 0 314.470 1.791 50 0 DDAARO C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000095996365 407221731 /nfs/dbraw/zinc/22/17/31/407221731.db2.gz 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CC(C)c1nnc2n1CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC000012154305 696048723 /nfs/dbraw/zinc/04/87/23/696048723.db2.gz UIFRKRQDRAIGTF-ZDUSSCGKSA-N 1 0 305.426 1.128 50 0 DDAARO c1nn(CC[NH+]2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000020149247 696069825 /nfs/dbraw/zinc/06/98/25/696069825.db2.gz IVXGDZRTYKEXHY-UHFFFAOYSA-N 1 0 308.389 1.649 50 0 DDAARO CCCn1nc(C)c(CNc2nc(N)nc3c2CC[NH2+]C3)c1C ZINC000067649533 696362457 /nfs/dbraw/zinc/36/24/57/696362457.db2.gz KPJBHWLMQUWXAG-UHFFFAOYSA-N 1 0 315.425 1.540 50 0 DDAARO [NH3+][C@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1C1CC1 ZINC000092028757 696592301 /nfs/dbraw/zinc/59/23/01/696592301.db2.gz KOYHUWSFQVJVHF-CABCVRRESA-N 1 0 309.373 1.348 50 0 DDAARO C[NH+](C)C1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000177136524 697409540 /nfs/dbraw/zinc/40/95/40/697409540.db2.gz GFOKQUOUNDPEET-UHFFFAOYSA-N 1 0 321.490 1.993 50 0 DDAARO Nc1ncncc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185401444 697517900 /nfs/dbraw/zinc/51/79/00/697517900.db2.gz LXUVFNKVDBHBTE-UHFFFAOYSA-N 1 0 311.389 1.585 50 0 DDAARO CCCn1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cn1 ZINC000190219009 697585799 /nfs/dbraw/zinc/58/57/99/697585799.db2.gz BNDAKZRUPXKVCQ-ZDUSSCGKSA-N 1 0 323.441 1.602 50 0 DDAARO c1nnc2c(N[C@@H]3[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nccn12 ZINC000398272401 699120142 /nfs/dbraw/zinc/12/01/42/699120142.db2.gz AMEXQZMOAIMSHT-FICVDOATSA-N 1 0 306.373 1.089 50 0 DDAARO [NH3+][C@@H](CO)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000888096214 709212169 /nfs/dbraw/zinc/21/21/69/709212169.db2.gz XUATWGUDFNQEBA-YPMHNXCESA-N 1 0 312.797 1.277 50 0 DDAARO O=C(c1cc2cc(F)ccc2s1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC000888097610 709212711 /nfs/dbraw/zinc/21/27/11/709212711.db2.gz UOERNKVMJJDONL-HNNXBMFYSA-N 1 0 319.361 1.650 50 0 DDAARO CCOc1cncc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000888100673 709213682 /nfs/dbraw/zinc/21/36/82/709213682.db2.gz DYSCJXINLAVVPA-HNNXBMFYSA-N 1 0 315.421 1.972 50 0 DDAARO CSc1cccc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000952969398 721529418 /nfs/dbraw/zinc/52/94/18/721529418.db2.gz MXAIRMXZAPXLLI-ZDUSSCGKSA-N 1 0 321.446 1.222 50 0 DDAARO COc1cccc(SCC(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000952979328 721531398 /nfs/dbraw/zinc/53/13/98/721531398.db2.gz SHPIHBRVFMAKMU-GEEKYZPCSA-N 1 0 318.442 1.996 50 0 DDAARO [NH3+][C@@H](CC(=O)[O-])C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000828520194 759666236 /nfs/dbraw/zinc/66/62/36/759666236.db2.gz ZNRSTYNBNMHNAT-ZDUSSCGKSA-N 1 0 311.426 1.093 50 0 DDAARO OCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)c(F)c3)n[nH]2)C1 ZINC000828760494 759780086 /nfs/dbraw/zinc/78/00/86/759780086.db2.gz WGLXGMOAGONJDI-NSHDSACASA-N 1 0 308.332 1.922 50 0 DDAARO Cc1cnc(-c2cccnc2)n1CCNC(=O)c1ccnn1C ZINC000581813096 761715271 /nfs/dbraw/zinc/71/52/71/761715271.db2.gz ZYVCFGXFQYYFQU-UHFFFAOYSA-N 1 0 310.361 1.417 50 0 DDAARO CCCCOc1ncccc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000585121680 771953325 /nfs/dbraw/zinc/95/33/25/771953325.db2.gz VWSLQPHXAPWXJS-RHSMWYFYSA-N 1 0 321.421 1.332 50 0 DDAARO CCC1C[NH+](CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000585122369 771953890 /nfs/dbraw/zinc/95/38/90/771953890.db2.gz YNEGNIGHJPACLN-HNNXBMFYSA-N 1 0 307.438 1.093 50 0 DDAARO Cc1cc(C(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)nc(C)n1 ZINC000952860142 775587398 /nfs/dbraw/zinc/58/73/98/775587398.db2.gz GEEAPAPERKLRAJ-OAHLLOKOSA-N 1 0 318.421 1.012 50 0 DDAARO C[C@H]1Cc2cc(NC(=O)CC[NH+]3CCN(C)CC3)ccc2O1 ZINC000952869836 775601156 /nfs/dbraw/zinc/60/11/56/775601156.db2.gz MPILFUUJTODQIH-ZDUSSCGKSA-N 1 0 303.406 1.586 50 0 DDAARO Clc1cnn(CCC[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000095517211 185376643 /nfs/dbraw/zinc/37/66/43/185376643.db2.gz DTPNVTAKRIRKIE-UHFFFAOYSA-N 1 0 320.828 1.975 50 0 DDAARO COc1cc(N2CCC[N@H+](Cc3cccs3)CC2)nc(N)n1 ZINC000095525108 185378170 /nfs/dbraw/zinc/37/81/70/185378170.db2.gz MXCHEUGXONIADP-UHFFFAOYSA-N 1 0 319.434 1.841 50 0 DDAARO CN1CCN(S(=O)(=O)c2cccc(F)c2)c2c[nH+]ccc21 ZINC000079054969 185150363 /nfs/dbraw/zinc/15/03/63/185150363.db2.gz SCEMRLPQWZOGHP-UHFFFAOYSA-N 1 0 307.350 1.866 50 0 DDAARO Cc1nc(N2CC[NH+](CCCO)CC2)nc(C)c1CC(C)C ZINC000079026490 185147393 /nfs/dbraw/zinc/14/73/93/185147393.db2.gz GZJDCGFDRFGZAY-UHFFFAOYSA-N 1 0 306.454 1.796 50 0 DDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H](O)C1 ZINC000043137122 295679078 /nfs/dbraw/zinc/67/90/78/295679078.db2.gz ZZYAFOQEFIEPMF-HUUCEWRRSA-N 1 0 321.421 1.973 50 0 DDAARO CSC[C@H](C)C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000095416675 185358916 /nfs/dbraw/zinc/35/89/16/185358916.db2.gz TWIWXEBMPMOBHQ-CYBMUJFWSA-N 1 0 309.483 1.317 50 0 DDAARO Cc1nn(C)c2nc(N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)sc12 ZINC000096179521 282285125 /nfs/dbraw/zinc/28/51/25/282285125.db2.gz LYWWRNOUHFUOOV-RYUDHWBXSA-N 1 0 321.450 1.374 50 0 DDAARO COC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C=CCCC2)CC1 ZINC000097084626 185407407 /nfs/dbraw/zinc/40/74/07/185407407.db2.gz GOPGOSBAJNVMMT-ZFWWWQNUSA-N 1 0 308.422 1.875 50 0 DDAARO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299750206 529989382 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c1cnnc(N2CCC[C@@H]([NH2+]Cc3cccc4c3OCO4)C2)c1 ZINC000069737726 406763254 /nfs/dbraw/zinc/76/32/54/406763254.db2.gz LYJKZJCCYRLWFB-CQSZACIVSA-N 1 0 312.373 1.964 50 0 DDAARO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)ccn2)CC1 ZINC000069418905 406708104 /nfs/dbraw/zinc/70/81/04/406708104.db2.gz HFCRBCBJKVZWBD-UHFFFAOYSA-N 1 0 310.829 1.492 50 0 DDAARO CC(=O)NCCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000069453344 406714845 /nfs/dbraw/zinc/71/48/45/406714845.db2.gz COYZNZNZILEEQH-QGZVFWFLSA-N 1 0 317.433 1.336 50 0 DDAARO C[C@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)[NH+](C)C ZINC000069454974 406715079 /nfs/dbraw/zinc/71/50/79/406715079.db2.gz KJRBOQUJOSBVKR-GFCCVEGCSA-N 1 0 313.405 1.825 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000069490825 406722368 /nfs/dbraw/zinc/72/23/68/406722368.db2.gz CNDMAIIPHALWQV-VXGBXAGGSA-N 1 0 307.398 1.061 50 0 DDAARO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069516963 406724885 /nfs/dbraw/zinc/72/48/85/406724885.db2.gz DKNCPFUPDIJIHJ-KGLIPLIRSA-N 1 0 310.438 1.909 50 0 DDAARO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000069527588 406728135 /nfs/dbraw/zinc/72/81/35/406728135.db2.gz RHCSDIKSKSHNKL-INIZCTEOSA-N 1 0 302.418 1.945 50 0 DDAARO CCOCCN1CC[N@H+](CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000069818905 406777191 /nfs/dbraw/zinc/77/71/91/406777191.db2.gz JBVDWEGGXQOWNS-HNNXBMFYSA-N 1 0 311.470 1.288 50 0 DDAARO COc1cccc(CNC(=O)C[NH2+][C@@H](C)[C@@H](C)n2cccn2)c1 ZINC000069926552 406792611 /nfs/dbraw/zinc/79/26/11/406792611.db2.gz FSHWUDGDOXACON-UONOGXRCSA-N 1 0 316.405 1.747 50 0 DDAARO CC(C)Cc1ccc([C@@H](O)CN2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000069947944 406793150 /nfs/dbraw/zinc/79/31/50/406793150.db2.gz JVXNXRDONYCBAB-APWZRJJASA-N 1 0 320.477 1.917 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)CC2 ZINC000069968793 406795683 /nfs/dbraw/zinc/79/56/83/406795683.db2.gz HGZAYULNVPRPTH-OAHLLOKOSA-N 1 0 317.437 1.498 50 0 DDAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCC(N)=O)c2)cn1 ZINC000069968277 406796588 /nfs/dbraw/zinc/79/65/88/406796588.db2.gz CHCAHPYLIDOHMA-MRXNPFEDSA-N 1 0 314.389 1.621 50 0 DDAARO C[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816555 406797999 /nfs/dbraw/zinc/79/79/99/406797999.db2.gz UNPNEOKKJZKVSB-LBPRGKRZSA-N 1 0 307.369 1.247 50 0 DDAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCc2ccccc21 ZINC000069975096 406798104 /nfs/dbraw/zinc/79/81/04/406798104.db2.gz KNNUZTPCFLPYII-NVXWUHKLSA-N 1 0 302.418 1.979 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071144684 406833541 /nfs/dbraw/zinc/83/35/41/406833541.db2.gz HIGWAZHVMBGBDM-JTQLQIEISA-N 1 0 322.352 1.935 50 0 DDAARO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000071859698 406853917 /nfs/dbraw/zinc/85/39/17/406853917.db2.gz KORLETLSGYINFF-OAHLLOKOSA-N 1 0 311.389 1.334 50 0 DDAARO C[C@H](CNC(=O)CCCc1ccccc1)N1CC[NH+](C)CC1 ZINC000071867404 406856738 /nfs/dbraw/zinc/85/67/38/406856738.db2.gz PQROBDZPPHKZMW-MRXNPFEDSA-N 1 0 303.450 1.761 50 0 DDAARO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)Cn2cc(C)cn2)c1 ZINC000071874955 406857470 /nfs/dbraw/zinc/85/74/70/406857470.db2.gz PKCASDLBIGTVPN-XJKSGUPXSA-N 1 0 319.405 1.920 50 0 DDAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000071871841 406858109 /nfs/dbraw/zinc/85/81/09/406858109.db2.gz JIKAZJLWUNUZBU-CYBMUJFWSA-N 1 0 305.426 1.318 50 0 DDAARO CS(=O)(=O)N[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000071913985 406866866 /nfs/dbraw/zinc/86/68/66/406866866.db2.gz ZKGVELUPNDBHBE-AWEZNQCLSA-N 1 0 318.483 1.739 50 0 DDAARO Cn1cc(C(=O)NCC2CC[NH+]([C@@H]3C=CCCC3)CC2)cn1 ZINC000071915669 406867779 /nfs/dbraw/zinc/86/77/79/406867779.db2.gz HNTMSBUSYUECDV-MRXNPFEDSA-N 1 0 302.422 1.971 50 0 DDAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccccn1 ZINC000015184110 406880320 /nfs/dbraw/zinc/88/03/20/406880320.db2.gz NXEYRHDFNBEFGE-UHFFFAOYSA-N 1 0 302.378 1.426 50 0 DDAARO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[NH2+]CCO2)cc1 ZINC000072343424 406881635 /nfs/dbraw/zinc/88/16/35/406881635.db2.gz UMIBHYIMOQRABR-OAHLLOKOSA-N 1 0 314.389 1.879 50 0 DDAARO Cc1ccoc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000025325278 406896695 /nfs/dbraw/zinc/89/66/95/406896695.db2.gz ZZAYVGIWXSFFJD-UHFFFAOYSA-N 1 0 300.362 1.987 50 0 DDAARO CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000025538604 406898948 /nfs/dbraw/zinc/89/89/48/406898948.db2.gz JVXSYAHNRVHKSR-HOTGVXAUSA-N 1 0 322.449 1.899 50 0 DDAARO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)cn1 ZINC000071809771 406845049 /nfs/dbraw/zinc/84/50/49/406845049.db2.gz ZQYWBUDZRAJZPI-UHFFFAOYSA-N 1 0 315.377 1.007 50 0 DDAARO CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000035421973 406971815 /nfs/dbraw/zinc/97/18/15/406971815.db2.gz ZKYUGUYZYSBFEX-UHFFFAOYSA-N 1 0 317.433 1.607 50 0 DDAARO COCC[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036096402 406976069 /nfs/dbraw/zinc/97/60/69/406976069.db2.gz RHFWYHVKEFULTA-CQSZACIVSA-N 1 0 309.362 1.899 50 0 DDAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)c1C ZINC000036316612 406978038 /nfs/dbraw/zinc/97/80/38/406978038.db2.gz QNIGRJIIWZQQGV-MRXNPFEDSA-N 1 0 320.433 1.549 50 0 DDAARO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)COC ZINC000075612721 406937449 /nfs/dbraw/zinc/93/74/49/406937449.db2.gz UYWWCPIMQVCWBD-LBPRGKRZSA-N 1 0 307.394 1.940 50 0 DDAARO Cc1nc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)no1 ZINC000076084734 406953860 /nfs/dbraw/zinc/95/38/60/406953860.db2.gz CYFOTXHXDDVDFN-LLVKDONJSA-N 1 0 309.395 1.542 50 0 DDAARO CC(C)(C)OC(=O)NCC[NH2+]CCNC(=O)OC(C)(C)C ZINC000034490071 406963732 /nfs/dbraw/zinc/96/37/32/406963732.db2.gz KNORWRWRHNHJAV-UHFFFAOYSA-N 1 0 303.403 1.625 50 0 DDAARO CN1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1=O ZINC000044390123 407022580 /nfs/dbraw/zinc/02/25/80/407022580.db2.gz OPBKZYZIBCEKFP-MRXNPFEDSA-N 1 0 317.433 1.445 50 0 DDAARO Cc1csc(=O)n1CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044934321 407034563 /nfs/dbraw/zinc/03/45/63/407034563.db2.gz YBTYJYRFKYHVCU-GFCCVEGCSA-N 1 0 309.435 1.209 50 0 DDAARO O[C@@]1(C[NH2+]CCSc2ccc(Cl)cc2)CNCCOC1 ZINC000077297784 406983123 /nfs/dbraw/zinc/98/31/23/406983123.db2.gz YQWYATSFYSHAQD-CQSZACIVSA-N 1 0 316.854 1.373 50 0 DDAARO C=C1C(N2CCC([NH3+])CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000045796218 407049585 /nfs/dbraw/zinc/04/95/85/407049585.db2.gz IEHHTAXKGJRWJZ-UHFFFAOYSA-N 1 0 319.430 1.891 50 0 DDAARO O=C(CN1CCCC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048234253 407093038 /nfs/dbraw/zinc/09/30/38/407093038.db2.gz WDHDEKIPMSBANX-CYBMUJFWSA-N 1 0 305.378 1.155 50 0 DDAARO O[C@H](Cn1cccn1)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000048278430 407093858 /nfs/dbraw/zinc/09/38/58/407093858.db2.gz SZMHZFDVHYJQQQ-KRWDZBQOSA-N 1 0 315.417 1.925 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000084760842 407094176 /nfs/dbraw/zinc/09/41/76/407094176.db2.gz PCKBUIFMBZSZDJ-NSHDSACASA-N 1 0 322.384 1.730 50 0 DDAARO CC1CCN(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000048905379 407108844 /nfs/dbraw/zinc/10/88/44/407108844.db2.gz NVSXFQWEXVZMHC-AWEZNQCLSA-N 1 0 303.472 1.427 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)nc2n1 ZINC000047147820 407070555 /nfs/dbraw/zinc/07/05/55/407070555.db2.gz BTCNHCJBPRHZKX-NSHDSACASA-N 1 0 316.409 1.203 50 0 DDAARO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000089314141 407130920 /nfs/dbraw/zinc/13/09/20/407130920.db2.gz XMFQMSUTMWVHOY-OLZOCXBDSA-N 1 0 318.439 1.492 50 0 DDAARO CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000051589526 407140625 /nfs/dbraw/zinc/14/06/25/407140625.db2.gz GLIZTTSVXBJYKY-HNNXBMFYSA-N 1 0 323.437 1.419 50 0 DDAARO O=C1CNC(=O)N1CC[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000089827783 407152323 /nfs/dbraw/zinc/15/23/23/407152323.db2.gz QZKJDCFNRIBIOR-QAPCUYQASA-N 1 0 313.401 1.940 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[C@]1(C)O ZINC000091738147 407182654 /nfs/dbraw/zinc/18/26/54/407182654.db2.gz IMAHVCSLKVUMKJ-KDOFPFPSSA-N 1 0 317.433 1.281 50 0 DDAARO CSc1nnc(CC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)n1C ZINC000055167068 407196611 /nfs/dbraw/zinc/19/66/11/407196611.db2.gz DEXVXNNEVFVAAZ-LBPRGKRZSA-N 1 0 323.466 1.070 50 0 DDAARO COCCN(Cc1ccccn1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095383697 407212080 /nfs/dbraw/zinc/21/20/80/407212080.db2.gz CAPWGCVZOKUDJU-INIZCTEOSA-N 1 0 305.422 1.931 50 0 DDAARO Cc1cc(C)nc(CCNC(=O)CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000095381405 407212585 /nfs/dbraw/zinc/21/25/85/407212585.db2.gz BRDUWRAUXMQQDI-OAHLLOKOSA-N 1 0 304.438 1.874 50 0 DDAARO CN1CCCc2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc21 ZINC000095432113 407213431 /nfs/dbraw/zinc/21/34/31/407213431.db2.gz RYKMIKIVSHALBR-UKRRQHHQSA-N 1 0 323.462 1.475 50 0 DDAARO CN1C[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1=O ZINC000095954332 407216739 /nfs/dbraw/zinc/21/67/39/407216739.db2.gz NLJCJISNKHOGER-JSGCOSHPSA-N 1 0 307.369 1.023 50 0 DDAARO CN(C)c1nccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000095988214 407220801 /nfs/dbraw/zinc/22/08/01/407220801.db2.gz USQQSZGHATTZOW-ZNMIVQPWSA-N 1 0 302.422 1.980 50 0 DDAARO C[N@H+](CCNC(=O)C1(c2ccccc2)CCOCC1)C1CC1 ZINC000058858454 407223253 /nfs/dbraw/zinc/22/32/53/407223253.db2.gz YKVVJNSMFNXRAQ-UHFFFAOYSA-N 1 0 302.418 1.945 50 0 DDAARO C[C@H](CNC(=O)CCNC(=O)[C@@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000060556230 407226335 /nfs/dbraw/zinc/22/63/35/407226335.db2.gz DOKKSIVOMJNRLH-KBUPBQIOSA-N 1 0 309.454 1.385 50 0 DDAARO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2ccccc2OC)C1 ZINC000066894819 407262274 /nfs/dbraw/zinc/26/22/74/407262274.db2.gz RTTQCCAPDRGEJZ-CYBMUJFWSA-N 1 0 319.405 1.405 50 0 DDAARO CSC[C@@](C)(O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000096414662 407262447 /nfs/dbraw/zinc/26/24/47/407262447.db2.gz FVAZNKQWGONCOP-HIFRSBDPSA-N 1 0 302.484 1.727 50 0 DDAARO CC(C)[NH+]1CCC(Cc2nc(CN3CCOCC3)no2)CC1 ZINC000096130875 407239405 /nfs/dbraw/zinc/23/94/05/407239405.db2.gz RZGBBNNBXPAAFV-UHFFFAOYSA-N 1 0 308.426 1.565 50 0 DDAARO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(F)cn3)C2)CC1 ZINC000123063141 407318248 /nfs/dbraw/zinc/31/82/48/407318248.db2.gz NTPDOSDMXOYRSN-AWEZNQCLSA-N 1 0 321.400 1.464 50 0 DDAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ncc[nH]3)C2)c1 ZINC000096449345 407268074 /nfs/dbraw/zinc/26/80/74/407268074.db2.gz FJSOONYQCBXJIA-LBPRGKRZSA-N 1 0 302.378 1.795 50 0 DDAARO CC(C)CSCC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000096485405 407271879 /nfs/dbraw/zinc/27/18/79/407271879.db2.gz VTUZYWFVUVGEIX-UHFFFAOYSA-N 1 0 308.513 1.731 50 0 DDAARO CN1CCc2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2C1=O ZINC000097052244 407276961 /nfs/dbraw/zinc/27/69/61/407276961.db2.gz HNVNIQZICOQHRW-UHFFFAOYSA-N 1 0 316.405 1.484 50 0 DDAARO CC[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000097082754 407278951 /nfs/dbraw/zinc/27/89/51/407278951.db2.gz PXXDWHGAJDLXHR-UHFFFAOYSA-N 1 0 311.329 1.330 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3ccn(C)c3)CC2)nn1 ZINC000097139369 407282132 /nfs/dbraw/zinc/28/21/32/407282132.db2.gz FYGXBKFRSKGLRY-UHFFFAOYSA-N 1 0 303.366 1.240 50 0 DDAARO CCNC(=O)NCC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CCO1 ZINC000067755047 407283002 /nfs/dbraw/zinc/28/30/02/407283002.db2.gz DNIKABBBFFQYPL-KRWDZBQOSA-N 1 0 317.433 1.564 50 0 DDAARO Cc1n[nH]c(C)c1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000097160110 407283829 /nfs/dbraw/zinc/28/38/29/407283829.db2.gz CNQWETKOQMHCMW-UHFFFAOYSA-N 1 0 322.434 1.236 50 0 DDAARO Cc1c(C[NH2+]C[C@@H]2CCOC2)c(=O)n(-c2ccccc2)n1C ZINC000097160022 407284372 /nfs/dbraw/zinc/28/43/72/407284372.db2.gz FFOFEDYPOOGSJL-AWEZNQCLSA-N 1 0 301.390 1.611 50 0 DDAARO Cc1nc(CC[NH3+])cc(N2CCC(CN3CCCC3=O)CC2)n1 ZINC000067850086 407287389 /nfs/dbraw/zinc/28/73/89/407287389.db2.gz LXYOQOHEPGUPBM-UHFFFAOYSA-N 1 0 317.437 1.125 50 0 DDAARO [NH3+]CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000097229295 407288521 /nfs/dbraw/zinc/28/85/21/407288521.db2.gz CIIMUJDTTRAXKN-UHFFFAOYSA-N 1 0 300.277 1.472 50 0 DDAARO O=S(=O)(NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1)C1CC1 ZINC000067967902 407292016 /nfs/dbraw/zinc/29/20/16/407292016.db2.gz DEFYLYZQVSYVIV-ZDUSSCGKSA-N 1 0 312.435 1.964 50 0 DDAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ccnn1C ZINC000097532827 407299208 /nfs/dbraw/zinc/29/92/08/407299208.db2.gz XHHNWIWZWULNHP-UHFFFAOYSA-N 1 0 306.435 1.994 50 0 DDAARO O=C(Nc1ccc(F)cn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000122641547 407307180 /nfs/dbraw/zinc/30/71/80/407307180.db2.gz BEECKXQDVHSTPM-UHFFFAOYSA-N 1 0 308.357 1.549 50 0 DDAARO CC[C@@H]1CN(CCOc2ccccc2F)CC[N@@H+]1C[C@H](C)O ZINC000106841053 407362552 /nfs/dbraw/zinc/36/25/52/407362552.db2.gz HUNPOZIJRWGYML-LSDHHAIUSA-N 1 0 310.413 1.982 50 0 DDAARO Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000254950098 407470160 /nfs/dbraw/zinc/47/01/60/407470160.db2.gz JZQLZZSJKYXJJH-CCTFGXJBSA-N 1 0 310.829 1.981 50 0 DDAARO CC(C)N(CC[NH+](C)C)C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000170684345 407475044 /nfs/dbraw/zinc/47/50/44/407475044.db2.gz ZCSSSJCIFPDFBO-UHFFFAOYSA-N 1 0 306.332 1.701 50 0 DDAARO Cc1nc(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c(C)s1 ZINC000215247698 407481171 /nfs/dbraw/zinc/48/11/71/407481171.db2.gz XYNRNAILYKGTHW-UHFFFAOYSA-N 1 0 322.478 1.517 50 0 DDAARO CNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](CN1C(C)=O)[C@@H]23 ZINC000257174133 407481591 /nfs/dbraw/zinc/48/15/91/407481591.db2.gz COGOIGSZOFAFID-LHHMISFZSA-N 1 0 321.465 1.624 50 0 DDAARO CO[C@H]1C[N@H+](C2CCN(C(=O)CC(C)C)CC2)C12CCOCC2 ZINC000257185042 407485082 /nfs/dbraw/zinc/48/50/82/407485082.db2.gz VVIMMNYDDAESAD-INIZCTEOSA-N 1 0 324.465 1.903 50 0 DDAARO CC(C)[NH+](CCN(C)S(=O)(=O)[C@H]1CCO[C@H]1C)C(C)C ZINC000215605802 407486519 /nfs/dbraw/zinc/48/65/19/407486519.db2.gz VELHOIDDAMVEAZ-KBPBESRZSA-N 1 0 306.472 1.544 50 0 DDAARO Cn1cccc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257192515 407488176 /nfs/dbraw/zinc/48/81/76/407488176.db2.gz URSUSUXREHOMRF-NVXWUHKLSA-N 1 0 310.401 1.767 50 0 DDAARO O=C(C1CC1)N1CCC[NH2+]CCNC(=O)C[C@@H]1c1ccccc1 ZINC000257195616 407489445 /nfs/dbraw/zinc/48/94/45/407489445.db2.gz WMKNKWOZRDUOGG-MRXNPFEDSA-N 1 0 315.417 1.466 50 0 DDAARO COCCn1ccnc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000216296881 407496015 /nfs/dbraw/zinc/49/60/15/407496015.db2.gz ZAWWHWULBQZGLK-UHFFFAOYSA-N 1 0 324.494 1.543 50 0 DDAARO COC1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000151479829 407443054 /nfs/dbraw/zinc/44/30/54/407443054.db2.gz CGKIXUQLPZJTEN-CYBMUJFWSA-N 1 0 312.797 1.258 50 0 DDAARO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000170600634 407447700 /nfs/dbraw/zinc/44/77/00/407447700.db2.gz KZTKXOMPVSCYHJ-UHFFFAOYSA-N 1 0 300.362 1.987 50 0 DDAARO Cc1nc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)oc1C ZINC000170606681 407451496 /nfs/dbraw/zinc/45/14/96/407451496.db2.gz XTKWDBOXERSWLD-UHFFFAOYSA-N 1 0 323.418 1.832 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(CN3CCO[C@H](C[NH3+])C3)[nH]c12 ZINC000253536665 407454503 /nfs/dbraw/zinc/45/45/03/407454503.db2.gz JWGLTBOPVGRESD-CQSZACIVSA-N 1 0 301.390 1.717 50 0 DDAARO O=C(NC[C@H]1CCCN(C(=O)c2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000225480900 407590464 /nfs/dbraw/zinc/59/04/64/407590464.db2.gz UJWKXZIRPIILBR-OCCSQVGLSA-N 1 0 321.446 1.469 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cn1ccc2ccccc21 ZINC000219859141 407535989 /nfs/dbraw/zinc/53/59/89/407535989.db2.gz QRSBGUGTOLDDJR-BVPBIZIASA-N 1 0 313.401 1.475 50 0 DDAARO C/C=C(\C)C[N@@H+]1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000221230531 407544322 /nfs/dbraw/zinc/54/43/22/407544322.db2.gz YLYWGGNHKUDJOT-RRQFRJBNSA-N 1 0 315.421 1.870 50 0 DDAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178786081 407602087 /nfs/dbraw/zinc/60/20/87/407602087.db2.gz QSLUZHVVHIROHO-OAHLLOKOSA-N 1 0 312.417 1.900 50 0 DDAARO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000261754957 407603174 /nfs/dbraw/zinc/60/31/74/407603174.db2.gz DYNYFSFKMVPMGQ-AAEUAGOBSA-N 1 0 307.360 1.458 50 0 DDAARO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([N@@H+]2CCN(C)c3ccccc3C2)C1 ZINC000229848520 407672267 /nfs/dbraw/zinc/67/22/67/407672267.db2.gz CSPNHIMAYOFUNE-CWRNSKLLSA-N 1 0 304.390 1.251 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000178968371 407676773 /nfs/dbraw/zinc/67/67/73/407676773.db2.gz GFVVUFQTUNMRKL-JTQLQIEISA-N 1 0 317.311 1.704 50 0 DDAARO C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCCCO3)C[C@H](C)[NH2+]1 ZINC000153408083 407819718 /nfs/dbraw/zinc/81/97/18/407819718.db2.gz BWARZRAHLVOGFI-OKILXGFUSA-N 1 0 318.417 1.989 50 0 DDAARO C[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000153601240 407860616 /nfs/dbraw/zinc/86/06/16/407860616.db2.gz OYOMEYSMBAUKKG-PHIMTYICSA-N 1 0 324.808 1.863 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000133726541 407869179 /nfs/dbraw/zinc/86/91/79/407869179.db2.gz FRIMXTBFLCMWLZ-MRXNPFEDSA-N 1 0 315.417 1.633 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000237857148 407849171 /nfs/dbraw/zinc/84/91/71/407849171.db2.gz RJYQIDDYZIZQNK-NSHDSACASA-N 1 0 305.407 1.341 50 0 DDAARO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245956800 408108745 /nfs/dbraw/zinc/10/87/45/408108745.db2.gz XJLHOLISTCXFHP-IGQOVBAYSA-N 1 0 301.452 1.747 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108398 408409631 /nfs/dbraw/zinc/40/96/31/408409631.db2.gz ITLMIAZDZAMXGN-IRXDYDNUSA-N 1 0 306.454 1.650 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000247457548 408472187 /nfs/dbraw/zinc/47/21/87/408472187.db2.gz QMVDGLWMJYFMAC-HZSPNIEDSA-N 1 0 302.440 1.054 50 0 DDAARO C[C@H](C(=O)NC[C@H](CO)Cc1ccccn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000252477013 408795209 /nfs/dbraw/zinc/79/52/09/408795209.db2.gz GQPCXYZYQOGURJ-QKPAOTATSA-N 1 0 319.449 1.610 50 0 DDAARO Cc1nn(C)c(C)c1CN(CCO)CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000252489911 408798233 /nfs/dbraw/zinc/79/82/33/408798233.db2.gz KEVCKADFHSFPCH-JKSUJKDBSA-N 1 0 306.454 1.316 50 0 DDAARO CC[N@H+](CC(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1)C1CC1 ZINC000282411090 409049240 /nfs/dbraw/zinc/04/92/40/409049240.db2.gz IAELFJNPSCWEPP-WBVHZDCISA-N 1 0 318.417 1.814 50 0 DDAARO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000408016062 164199739 /nfs/dbraw/zinc/19/97/39/164199739.db2.gz HLFXTWRNMGKAMK-TZMCWYRMSA-N 1 0 304.456 1.335 50 0 DDAARO NC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000332392234 410122267 /nfs/dbraw/zinc/12/22/67/410122267.db2.gz MMLSBILWEUEGRX-AWEZNQCLSA-N 1 0 303.406 1.334 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)n2C(F)F)C1 ZINC000299775646 410620000 /nfs/dbraw/zinc/62/00/00/410620000.db2.gz GGYXHVVUGNEYQK-LBPRGKRZSA-N 1 0 315.364 1.890 50 0 DDAARO COC(=O)C1CCN(Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299781698 410624479 /nfs/dbraw/zinc/62/44/79/410624479.db2.gz LITLENABTFPYDZ-UHFFFAOYSA-N 1 0 304.390 1.554 50 0 DDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)cc(C)[nH]2)C1 ZINC000299794155 410634539 /nfs/dbraw/zinc/63/45/39/410634539.db2.gz JHUNUPSHYLFBCG-ZDUSSCGKSA-N 1 0 307.394 1.184 50 0 DDAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)cc(C)[nH]2)C1 ZINC000299794145 410634633 /nfs/dbraw/zinc/63/46/33/410634633.db2.gz JHUNUPSHYLFBCG-CYBMUJFWSA-N 1 0 307.394 1.184 50 0 DDAARO Cc1ccc(O)cc1C(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000299795727 410635707 /nfs/dbraw/zinc/63/57/07/410635707.db2.gz NKGFAGVVGJUTEV-UHFFFAOYSA-N 1 0 319.405 1.018 50 0 DDAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)Nc1cccc(OC(F)F)c1 ZINC000299801557 410638111 /nfs/dbraw/zinc/63/81/11/410638111.db2.gz ZWIYXHPHHIQLGJ-CQSZACIVSA-N 1 0 315.320 1.524 50 0 DDAARO CS(=O)(=O)Nc1cc(C[NH3+])cc(C(=O)N2CCCCC2)c1 ZINC000299801564 410638871 /nfs/dbraw/zinc/63/88/71/410638871.db2.gz ZZPKSTXDLVKZPB-UHFFFAOYSA-N 1 0 311.407 1.143 50 0 DDAARO CC[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000107578988 287209667 /nfs/dbraw/zinc/20/96/67/287209667.db2.gz QIECSTOMCMDVLK-MAZHCROVSA-N 1 0 323.412 1.129 50 0 DDAARO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000130471791 196084723 /nfs/dbraw/zinc/08/47/23/196084723.db2.gz ZNSDDMMSAKRNOF-IAQYHMDHSA-N 1 0 323.412 1.701 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3ccc(OC)cc3)n2)C1 ZINC000134058543 196357677 /nfs/dbraw/zinc/35/76/77/196357677.db2.gz WBTNWPYDRPYMPM-CYBMUJFWSA-N 1 0 314.389 1.705 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C1 ZINC000134179263 196368518 /nfs/dbraw/zinc/36/85/18/196368518.db2.gz ILLUYLGVPBOQBT-GJZGRUSLSA-N 1 0 318.421 1.305 50 0 DDAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000042326863 418421158 /nfs/dbraw/zinc/42/11/58/418421158.db2.gz QNLPHRFYKBZJGL-HOCLYGCPSA-N 1 0 317.433 1.539 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC000044892413 418430627 /nfs/dbraw/zinc/43/06/27/418430627.db2.gz CKTPPBJAZBLEAP-KBPBESRZSA-N 1 0 307.394 1.895 50 0 DDAARO COc1ccc([C@@H](CNC(=O)Nc2nncs2)[NH+](C)C)cc1 ZINC000044935450 418433394 /nfs/dbraw/zinc/43/33/94/418433394.db2.gz UZNSGFUSLAYMGD-GFCCVEGCSA-N 1 0 321.406 1.971 50 0 DDAARO CC1CCN(S(=O)(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000046035399 418443683 /nfs/dbraw/zinc/44/36/83/418443683.db2.gz FEWMHJDBHLKIIR-GASCZTMLSA-N 1 0 317.499 1.531 50 0 DDAARO Cc1noc(C)c1C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000047630457 418459954 /nfs/dbraw/zinc/45/99/54/418459954.db2.gz PGVBBPJPGZSZMX-UHFFFAOYSA-N 1 0 315.377 1.932 50 0 DDAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnc2ccccc2n1 ZINC000107348124 418498654 /nfs/dbraw/zinc/49/86/54/418498654.db2.gz IUTZKECAVVWQPS-STQMWFEESA-N 1 0 312.373 1.223 50 0 DDAARO Cc1c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cnn1C ZINC000216155693 418559978 /nfs/dbraw/zinc/55/99/78/418559978.db2.gz WVYGQBMMNZLJSL-HUUCEWRRSA-N 1 0 302.422 1.675 50 0 DDAARO COc1ccc([C@@H](CC(=O)N2CC[NH2+][C@H](C)C2)NC(C)=O)cc1 ZINC000188464110 222014409 /nfs/dbraw/zinc/01/44/09/222014409.db2.gz ZDQQBVDTVXBFGU-MLGOLLRUSA-N 1 0 319.405 1.083 50 0 DDAARO O=C([C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1)N1CCCC1 ZINC000247805740 222232231 /nfs/dbraw/zinc/23/22/31/222232231.db2.gz AUTWKVBBEHNFJW-JKSUJKDBSA-N 1 0 310.438 1.516 50 0 DDAARO c1nnc2c(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)nccn12 ZINC000375630478 418665888 /nfs/dbraw/zinc/66/58/88/418665888.db2.gz UGLVUZUZWRHFCA-HNNXBMFYSA-N 1 0 308.389 1.480 50 0 DDAARO COc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c(C)nn1C ZINC000368213415 418704610 /nfs/dbraw/zinc/70/46/10/418704610.db2.gz ALMCCDQVRJAQQV-UKRRQHHQSA-N 1 0 308.426 1.032 50 0 DDAARO CNC(=O)c1ccc(CSc2nnc(C[NH3+])n2CC(C)C)o1 ZINC000426370595 419448173 /nfs/dbraw/zinc/44/81/73/419448173.db2.gz SALHHWKAPGQSRI-UHFFFAOYSA-N 1 0 323.422 1.638 50 0 DDAARO CC[C@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)N(C)C ZINC000426396338 419456868 /nfs/dbraw/zinc/45/68/68/419456868.db2.gz CEAMFTINUHAQQY-NSHDSACASA-N 1 0 311.455 1.241 50 0 DDAARO COc1ccc(CN(C)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1OC ZINC000426415643 419462723 /nfs/dbraw/zinc/46/27/23/419462723.db2.gz QUARQTHAZHTQHB-CQSZACIVSA-N 1 0 321.421 1.797 50 0 DDAARO NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426443089 419472199 /nfs/dbraw/zinc/47/21/99/419472199.db2.gz WZNSKIOMWGKSDZ-QGZVFWFLSA-N 1 0 307.438 1.367 50 0 DDAARO CN(C(=O)NCc1nnc(-c2ccccc2)[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000426441908 419473430 /nfs/dbraw/zinc/47/34/30/419473430.db2.gz NJUOWJQBRWLBSC-ZDUSSCGKSA-N 1 0 314.393 1.317 50 0 DDAARO Cn1ccnc1[C@@H](NC(=O)c1cccc(OCC[NH3+])c1)C1CC1 ZINC000426642910 419524201 /nfs/dbraw/zinc/52/42/01/419524201.db2.gz OGAGOTLGZDZTAJ-HNNXBMFYSA-N 1 0 314.389 1.639 50 0 DDAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000426512035 419495900 /nfs/dbraw/zinc/49/59/00/419495900.db2.gz FSOWDSNZHSKSHG-CYBMUJFWSA-N 1 0 316.405 1.530 50 0 DDAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1cccc(F)c1 ZINC000426550690 419506413 /nfs/dbraw/zinc/50/64/13/419506413.db2.gz WDNDLJXJPJYHCU-AWEZNQCLSA-N 1 0 316.380 1.806 50 0 DDAARO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@@H]1C[NH3+] ZINC000237507005 299849266 /nfs/dbraw/zinc/84/92/66/299849266.db2.gz CWTSXVDIDMPSCL-WCBMZHEXSA-N 1 0 318.830 1.065 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000492949373 420718083 /nfs/dbraw/zinc/71/80/83/420718083.db2.gz HMTQXWDKOYXOTC-DEBLGDTFSA-N 1 0 301.390 1.257 50 0 DDAARO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000630339453 422031868 /nfs/dbraw/zinc/03/18/68/422031868.db2.gz OZXABYIFBOATSO-KGLIPLIRSA-N 1 0 309.406 1.638 50 0 DDAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cnc3c(C)cccn23)C1 ZINC000185784073 263394765 /nfs/dbraw/zinc/39/47/65/263394765.db2.gz NDCQLGMEDHFPJZ-CYBMUJFWSA-N 1 0 302.378 1.963 50 0 DDAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)C1 ZINC000013154671 274291115 /nfs/dbraw/zinc/29/11/15/274291115.db2.gz UHZUEYHZPJROHU-BZUAXINKSA-N 1 0 321.417 1.936 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCc2nccn2C1 ZINC000065487953 275771572 /nfs/dbraw/zinc/77/15/72/275771572.db2.gz NRGPJYQUZXOGAG-ZDUSSCGKSA-N 1 0 316.453 1.911 50 0 DDAARO CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000216335013 277074596 /nfs/dbraw/zinc/07/45/96/277074596.db2.gz QEQBVSBDODEAHO-INIZCTEOSA-N 1 0 303.362 1.672 50 0 DDAARO O=C([C@H]1CCCCC(=O)N1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000408521386 280128857 /nfs/dbraw/zinc/12/88/57/280128857.db2.gz RRIJJLINBQGDHW-OAHLLOKOSA-N 1 0 307.438 1.380 50 0 DDAARO O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H]([NH2+]C2(CO)CC2)C1 ZINC000097100351 280331853 /nfs/dbraw/zinc/33/18/53/280331853.db2.gz CBIBQBYWLQOUHT-CHWSQXEVSA-N 1 0 314.385 1.708 50 0 DDAARO Cc1ccc2c(c1)c(C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)nn2C ZINC000072138883 281130409 /nfs/dbraw/zinc/13/04/09/281130409.db2.gz SQQUROJNOACIMG-QGZVFWFLSA-N 1 0 316.405 1.020 50 0 DDAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000020473836 295335193 /nfs/dbraw/zinc/33/51/93/295335193.db2.gz YHWQXWNBZWWDRB-VIFPVBQESA-N 1 0 308.325 1.817 50 0 DDAARO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000361709856 307004222 /nfs/dbraw/zinc/00/42/22/307004222.db2.gz YDHLHHSOFFDCJQ-NEPJUHHUSA-N 1 0 303.387 1.780 50 0 DDAARO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2CCC[NH2+]CC2)n1 ZINC000534637012 334309713 /nfs/dbraw/zinc/30/97/13/334309713.db2.gz LEYMMPDIZZXWDA-JTQLQIEISA-N 1 0 316.327 1.810 50 0 DDAARO CC(C)n1cnnc1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000534653660 334312981 /nfs/dbraw/zinc/31/29/81/334312981.db2.gz HQMKFBZQULXDGX-UHFFFAOYSA-N 1 0 321.454 1.747 50 0 DDAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](C[C@H](O)c3ccccc3)C2)C1=O ZINC000084597324 483997426 /nfs/dbraw/zinc/99/74/26/483997426.db2.gz KPXIEDDTJVGWOF-YOEHRIQHSA-N 1 0 317.389 1.125 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(O)c(F)c2)C1 ZINC000222630491 484151740 /nfs/dbraw/zinc/15/17/40/484151740.db2.gz ZNDOZPAGDGTLMI-LBPRGKRZSA-N 1 0 310.369 1.620 50 0 DDAARO Cc1cc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)nc(N)[nH+]1 ZINC000670434039 484827872 /nfs/dbraw/zinc/82/78/72/484827872.db2.gz JYEUWQJDKUNDDX-ZDUSSCGKSA-N 1 0 301.394 1.372 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1onc2c1CCCC2 ZINC000670445004 484832660 /nfs/dbraw/zinc/83/26/60/484832660.db2.gz HJLRYMLPCSZGTL-GFCCVEGCSA-N 1 0 307.394 1.130 50 0 DDAARO NC(=O)c1cncc(N2CCC([NH+]3CCCCCC3)CC2)n1 ZINC000670458887 484842813 /nfs/dbraw/zinc/84/28/13/484842813.db2.gz GZZSNAIQLPJMOE-UHFFFAOYSA-N 1 0 303.410 1.420 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])ccc1OC(C)C ZINC000156106446 525397561 /nfs/dbraw/zinc/39/75/61/525397561.db2.gz JCJQJMPTCIWCJW-ZDUSSCGKSA-N 1 0 312.435 1.894 50 0 DDAARO Cc1nc(C(=O)N(C)[C@H]2CC[NH2+]C2)nn1-c1ccccc1Cl ZINC000299739348 534871171 /nfs/dbraw/zinc/87/11/71/534871171.db2.gz NMVFSCJDOUUVBC-NSHDSACASA-N 1 0 319.796 1.663 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)CCCN2c3ccccc3CCC2=O)C1 ZINC000158122886 527398109 /nfs/dbraw/zinc/39/81/09/527398109.db2.gz NUGSFNZIJKMTPF-HNNXBMFYSA-N 1 0 315.417 1.696 50 0 DDAARO Cn1c2cc(NC(=O)C[C@@H]3CSCC[NH2+]3)ccc2oc1=O ZINC000170050156 545647653 /nfs/dbraw/zinc/64/76/53/545647653.db2.gz DLWDLXOFYWNMGX-SNVBAGLBSA-N 1 0 307.375 1.165 50 0 DDAARO Nc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000219300004 545651151 /nfs/dbraw/zinc/65/11/51/545651151.db2.gz VBZUTDITKRNHLF-UHFFFAOYSA-N 1 0 313.409 1.352 50 0 DDAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cscn3)C2)CC1 ZINC000014958982 696056614 /nfs/dbraw/zinc/05/66/14/696056614.db2.gz CLGVTFKCDGGUJC-GFCCVEGCSA-N 1 0 308.451 1.432 50 0 DDAARO O[C@H]1CCCN(CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055212146 696282765 /nfs/dbraw/zinc/28/27/65/696282765.db2.gz UEDFHSVRYITXDE-INIZCTEOSA-N 1 0 318.396 1.762 50 0 DDAARO CN1CCO[C@H](CCNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000067755950 696364235 /nfs/dbraw/zinc/36/42/35/696364235.db2.gz HZKXGAQJOOHQSR-MRXNPFEDSA-N 1 0 323.481 1.622 50 0 DDAARO CC[C@@H]1CN(Cc2cnc(CCOC)nc2)CC[N@@H+]1C(C)C ZINC000072426534 696393980 /nfs/dbraw/zinc/39/39/80/696393980.db2.gz CWSSVLXNRXZUDT-MRXNPFEDSA-N 1 0 306.454 1.970 50 0 DDAARO C[NH+](C)CCOc1cc(C(=O)OC[C@@H]2CCCCO2)ccn1 ZINC000864234649 706106212 /nfs/dbraw/zinc/10/62/12/706106212.db2.gz YPTHBZNLZKYDFT-AWEZNQCLSA-N 1 0 308.378 1.748 50 0 DDAARO O=c1cc(CN2CCCCCC23C[NH2+]C3)nc2sccn21 ZINC000888097362 709212582 /nfs/dbraw/zinc/21/25/82/709212582.db2.gz HSMVOWRIAQVXIV-UHFFFAOYSA-N 1 0 304.419 1.474 50 0 DDAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893334245 710603370 /nfs/dbraw/zinc/60/33/70/710603370.db2.gz IPYSDCWJZAEVHP-JONQDZQNSA-N 1 0 307.365 1.868 50 0 DDAARO CC(C)(C)OC(=O)N1CCC(O)([C@H]([NH3+])c2cncnc2)CC1 ZINC000958528150 716612124 /nfs/dbraw/zinc/61/21/24/716612124.db2.gz KCRZHMXNHULUHF-GFCCVEGCSA-N 1 0 308.382 1.238 50 0 DDAARO CCC1(C[NH2+]Cc2cnn(C)c2S(N)(=O)=O)CCCC1 ZINC000952993393 721534287 /nfs/dbraw/zinc/53/42/87/721534287.db2.gz NAMSZTSPTVYRBZ-UHFFFAOYSA-N 1 0 300.428 1.128 50 0 DDAARO CCOC(=O)c1cnc(N2CC[C@@]3(CCC[N@@H+]3C)C2)nc1C ZINC000952993849 721534361 /nfs/dbraw/zinc/53/43/61/721534361.db2.gz KYVFAGNJPZAYOT-INIZCTEOSA-N 1 0 304.394 1.636 50 0 DDAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000823412843 758313635 /nfs/dbraw/zinc/31/36/35/758313635.db2.gz VPPZQGPVXFVDFJ-CQSZACIVSA-N 1 0 323.462 1.949 50 0 DDAARO C[C@@H](c1ccc(-c2n[nH]c(CC(N)=O)n2)o1)[NH+]1CCCCC1 ZINC000826842532 759312744 /nfs/dbraw/zinc/31/27/44/759312744.db2.gz YBNGXAISLWHZTM-JTQLQIEISA-N 1 0 303.366 1.639 50 0 DDAARO O=C(CC[NH+]1CCCCCC1)NCC1(CN2CCOCC2)CC1 ZINC000828021992 759458987 /nfs/dbraw/zinc/45/89/87/759458987.db2.gz MWVDLXUBJFQSBY-UHFFFAOYSA-N 1 0 323.481 1.481 50 0 DDAARO CC(=O)c1[nH]c(C)c(C(=O)NCCNc2cc[nH+]cc2C)c1C ZINC000828133609 759496403 /nfs/dbraw/zinc/49/64/03/759496403.db2.gz AJGJUUUNPDPUKZ-UHFFFAOYSA-N 1 0 314.389 1.801 50 0 DDAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC000581776630 761699288 /nfs/dbraw/zinc/69/92/88/761699288.db2.gz YGEPCUXBSRZOGD-INIZCTEOSA-N 1 0 317.433 1.787 50 0 DDAARO CCn1nccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581787851 761700168 /nfs/dbraw/zinc/70/01/68/761700168.db2.gz FFFJAQAJWVGBID-OAHLLOKOSA-N 1 0 320.437 1.478 50 0 DDAARO CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000581821505 761720879 /nfs/dbraw/zinc/72/08/79/761720879.db2.gz DQDMOLLYEBMQEP-AWEZNQCLSA-N 1 0 307.438 1.378 50 0 DDAARO Cc1cccc2nc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc(=O)n12 ZINC000585080521 771927020 /nfs/dbraw/zinc/92/70/20/771927020.db2.gz GAJQAKQHVMWZQX-CYBMUJFWSA-N 1 0 314.389 1.150 50 0 DDAARO Cc1c[nH]cc1C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000585087202 771936463 /nfs/dbraw/zinc/93/64/63/771936463.db2.gz NQQDUPFGKWICDZ-CYBMUJFWSA-N 1 0 306.410 1.044 50 0 DDAARO O=c1cc(C2CC2)ncn1CC1CC[NH+]([C@H]2CC[C@@H]2O)CC1 ZINC000585630297 773686160 /nfs/dbraw/zinc/68/61/60/773686160.db2.gz UAEQVUCJNIEJFR-HOTGVXAUSA-N 1 0 303.406 1.356 50 0 DDAARO O=c1ccc(C2CC2)nn1CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000585502742 773688181 /nfs/dbraw/zinc/68/81/81/773688181.db2.gz NGHOPESYZRYRSD-OAHLLOKOSA-N 1 0 317.433 1.869 50 0 DDAARO O=C(NC[C@H]1C[NH2+]Cc2ccccc21)N1CCO[C@@H]2CCC[C@@H]21 ZINC000952852323 775580020 /nfs/dbraw/zinc/58/00/20/775580020.db2.gz VOHVSWWRLILJEN-HYVNUMGLSA-N 1 0 315.417 1.836 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]2c2ccc(F)cc2)C1 ZINC000952871806 775614429 /nfs/dbraw/zinc/61/44/29/775614429.db2.gz BUPLAXCBRXHDRK-ZFWWWQNUSA-N 1 0 319.380 1.296 50 0 DDAARO CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2nnc(N)s2)CC1 ZINC000095502143 185374896 /nfs/dbraw/zinc/37/48/96/185374896.db2.gz UUDKZNBRVNRMMC-JTQLQIEISA-N 1 0 311.455 1.810 50 0 DDAARO NC(=O)c1cc([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n[nH]1 ZINC000078900442 185125425 /nfs/dbraw/zinc/12/54/25/185125425.db2.gz NUZIZCRCJKHIGV-SECBINFHSA-N 1 0 320.315 1.267 50 0 DDAARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000078968904 185137472 /nfs/dbraw/zinc/13/74/72/185137472.db2.gz HSLHTGSXZFTUHI-GXFFZTMASA-N 1 0 310.360 1.832 50 0 DDAARO O=C(NC[C@H]1CCC[NH2+]1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000178750818 295684443 /nfs/dbraw/zinc/68/44/43/295684443.db2.gz OIDCLFLWGDHDHS-WBVHZDCISA-N 1 0 315.417 1.608 50 0 DDAARO c1nc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2c1CCC2 ZINC000082109521 192358498 /nfs/dbraw/zinc/35/84/98/192358498.db2.gz NSDTXPLCSWIBJY-AWEZNQCLSA-N 1 0 303.406 1.783 50 0 DDAARO CC(C)[C@@H](O)C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000095436860 185365214 /nfs/dbraw/zinc/36/52/14/185365214.db2.gz JKAJYMXVSXEPAW-UKRRQHHQSA-N 1 0 311.470 1.813 50 0 DDAARO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cccn1C ZINC000095435714 185364810 /nfs/dbraw/zinc/36/48/10/185364810.db2.gz NNFDUSKLADCRSY-KGLIPLIRSA-N 1 0 309.410 1.749 50 0 DDAARO Cc1ncc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000106905434 185461646 /nfs/dbraw/zinc/46/16/46/185461646.db2.gz ULQSIHJPHNHPHM-NWDGAFQWSA-N 1 0 310.423 1.114 50 0 DDAARO COc1cccc(Cn2cc(O[C@@H]3COC[C@@H]3[NH3+])cn2)c1Cl ZINC000685943372 539567486 /nfs/dbraw/zinc/56/74/86/539567486.db2.gz VOWKFFVMYXSRNI-GXTWGEPZSA-N 1 0 323.780 1.698 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000070173543 190866986 /nfs/dbraw/zinc/86/69/86/190866986.db2.gz HITABHYHNSAWDU-AAEUAGOBSA-N 1 0 300.399 1.715 50 0 DDAARO CS(=O)(=O)c1cnc(-c2ccco2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071388549 190964869 /nfs/dbraw/zinc/96/48/69/190964869.db2.gz YLMQFPUKFNISFU-SNVBAGLBSA-N 1 0 307.375 1.607 50 0 DDAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000072155867 191058716 /nfs/dbraw/zinc/05/87/16/191058716.db2.gz MNNDJLQODQWIFB-CABCVRRESA-N 1 0 311.385 1.840 50 0 DDAARO C[NH+](C)C[C@]1(O)CCN(C(=O)CCCCc2ccccc2)C1 ZINC000072154307 191059429 /nfs/dbraw/zinc/05/94/29/191059429.db2.gz PSFRLNNZIJLKGD-GOSISDBHSA-N 1 0 304.434 1.924 50 0 DDAARO COC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000084672813 192454949 /nfs/dbraw/zinc/45/49/49/192454949.db2.gz ICCVHTQCLDXIRO-CQSZACIVSA-N 1 0 300.362 1.803 50 0 DDAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)CC1 ZINC000072270895 191094065 /nfs/dbraw/zinc/09/40/65/191094065.db2.gz UZTMMRCXDRMNFJ-HNNXBMFYSA-N 1 0 324.469 1.228 50 0 DDAARO COc1cccc(N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000237460759 186292825 /nfs/dbraw/zinc/29/28/25/186292825.db2.gz FXCSGMHBMQDUFJ-ZIAGYGMSSA-N 1 0 303.406 1.471 50 0 DDAARO C[C@@H]1CCCN(C(=O)CCOc2cccc(C(N)=O)c2)[C@H]1C[NH3+] ZINC000237492692 186297441 /nfs/dbraw/zinc/29/74/41/186297441.db2.gz QWAYEOLVPNPDQT-DOMZBBRYSA-N 1 0 319.405 1.140 50 0 DDAARO Cc1nn(C)c2ncnc(N(C)C[C@H](C)C[NH+]3CCCC3)c12 ZINC000072428643 191161194 /nfs/dbraw/zinc/16/11/94/191161194.db2.gz UTRVBJIOHGXJEF-LBPRGKRZSA-N 1 0 302.426 1.840 50 0 DDAARO Cc1ccc2c(c1)c(CNc1ncnc3c1CC[NH2+]CC3)nn2C ZINC000072448550 191170212 /nfs/dbraw/zinc/17/02/12/191170212.db2.gz GOBAZYUKZAGSMY-UHFFFAOYSA-N 1 0 322.416 1.972 50 0 DDAARO Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2nnc(CN(C)C)n2C)C1 ZINC000072456854 191172971 /nfs/dbraw/zinc/17/29/71/191172971.db2.gz HYUSLNKGCLNGGP-ZDUSSCGKSA-N 1 0 317.441 1.288 50 0 DDAARO O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3OCCO)C2)O1 ZINC000072474392 191177722 /nfs/dbraw/zinc/17/77/22/191177722.db2.gz JJMKWSXGHYCUDT-INIZCTEOSA-N 1 0 306.362 1.132 50 0 DDAARO O=c1cc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)nc2ccccn12 ZINC000069740556 353171808 /nfs/dbraw/zinc/17/18/08/353171808.db2.gz GMQONDWXMZQXNH-OAHLLOKOSA-N 1 0 309.373 1.556 50 0 DDAARO c1ncn(-c2ccccc2C[NH2+]C[C@H]2CCc3nncn3C2)n1 ZINC000075605572 353370912 /nfs/dbraw/zinc/37/09/12/353370912.db2.gz QUWNVMSBMSJHLM-CYBMUJFWSA-N 1 0 309.377 1.211 50 0 DDAARO CN(C(=O)c1cc(=O)c2ccccc2o1)C1CC[NH+](C)CC1 ZINC000003310138 181002742 /nfs/dbraw/zinc/00/27/42/181002742.db2.gz PUUKJMCLIVFFIY-UHFFFAOYSA-N 1 0 300.358 1.959 50 0 DDAARO COC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000003337958 181007471 /nfs/dbraw/zinc/00/74/71/181007471.db2.gz RUADYBLYKWLSEE-CMPLNLGQSA-N 1 0 318.211 1.813 50 0 DDAARO CN(C)CC(=O)NC(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000097104320 353917945 /nfs/dbraw/zinc/91/79/45/353917945.db2.gz OSUPXUVDRNCAEU-UHFFFAOYSA-N 1 0 318.465 1.265 50 0 DDAARO CN(C)c1nc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cs1 ZINC000130234865 354091239 /nfs/dbraw/zinc/09/12/39/354091239.db2.gz ZNLSRMAUMWAIKV-NSHDSACASA-N 1 0 311.455 1.302 50 0 DDAARO CCc1c(C(=O)NC[C@H]2CCC[NH2+]2)cnn1Cc1ccccc1 ZINC000178758060 354261598 /nfs/dbraw/zinc/26/15/98/354261598.db2.gz OOHQOTCWRNYCKJ-OAHLLOKOSA-N 1 0 312.417 1.976 50 0 DDAARO Cc1nnc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)[nH]1 ZINC000245287272 354352447 /nfs/dbraw/zinc/35/24/47/354352447.db2.gz BSSQUXWSTDYBSI-ZNMIVQPWSA-N 1 0 317.437 1.740 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2C)CC1 ZINC000257366381 354389255 /nfs/dbraw/zinc/38/92/55/354389255.db2.gz VOPQDTYFIRVYOP-RDTXWAMCSA-N 1 0 319.424 1.810 50 0 DDAARO Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2c(Cl)cnn2C)cn1 ZINC000390835506 354642723 /nfs/dbraw/zinc/64/27/23/354642723.db2.gz OVMQOGCYKCQGOR-SWLSCSKDSA-N 1 0 323.828 1.895 50 0 DDAARO Cc1csc(C[NH2+][C@H]2CCC(=O)N(CC(=O)N(C)C)CC2)n1 ZINC000584884713 354788272 /nfs/dbraw/zinc/78/82/72/354788272.db2.gz VYYQOHLJCZTGRI-LBPRGKRZSA-N 1 0 324.450 1.010 50 0 DDAARO Cc1ccccc1CCC(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000584903519 354801763 /nfs/dbraw/zinc/80/17/63/354801763.db2.gz SJKJVUZUEQBZDA-MRXNPFEDSA-N 1 0 304.434 1.748 50 0 DDAARO Cc1nc2c([nH]1)CC[C@@H](OC(=O)CN1CCCCCCC1=O)C2 ZINC000585135939 354812038 /nfs/dbraw/zinc/81/20/38/354812038.db2.gz JQOIIIYTEHWSRO-CYBMUJFWSA-N 1 0 319.405 1.911 50 0 DDAARO C[C@H](CNC(=O)O[C@H]1CNOC1)[N@@H+]1CCc2ccccc2C1 ZINC000585137295 354813004 /nfs/dbraw/zinc/81/30/04/354813004.db2.gz QWPHOJQOPFVDTO-DOMZBBRYSA-N 1 0 305.378 1.063 50 0 DDAARO CN1CCCC[C@@H](C[NH2+]Cc2nncn2-c2ccccc2)C1=O ZINC000585140282 354813982 /nfs/dbraw/zinc/81/39/82/354813982.db2.gz BRKHRSVEQRVSFU-AWEZNQCLSA-N 1 0 313.405 1.615 50 0 DDAARO COc1cccc(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c1F ZINC000584893353 354795528 /nfs/dbraw/zinc/79/55/28/354795528.db2.gz ARNFQSREAAFVCZ-LBPRGKRZSA-N 1 0 310.369 1.485 50 0 DDAARO CCNC(=O)Cn1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000073499152 191320786 /nfs/dbraw/zinc/32/07/86/191320786.db2.gz ITOXTCATLMYCRC-CYBMUJFWSA-N 1 0 321.425 1.221 50 0 DDAARO CCN(Cc1cccc(NC(=O)C[NH2+]C)c1)C(=O)C(F)(F)F ZINC000236944777 202087043 /nfs/dbraw/zinc/08/70/43/202087043.db2.gz DTALQVRFPFCXRJ-UHFFFAOYSA-N 1 0 317.311 1.755 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000237157226 202169622 /nfs/dbraw/zinc/16/96/22/202169622.db2.gz ZZXMTMGYSCFCAG-ZDUSSCGKSA-N 1 0 312.435 1.685 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1Cl ZINC000237155408 202170362 /nfs/dbraw/zinc/17/03/62/202170362.db2.gz WREJNYZNHZXQON-LBPRGKRZSA-N 1 0 302.827 1.854 50 0 DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237184535 202180189 /nfs/dbraw/zinc/18/01/89/202180189.db2.gz CTCJGTVQTORXIA-GXTWGEPZSA-N 1 0 321.396 1.610 50 0 DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237183866 202180764 /nfs/dbraw/zinc/18/07/64/202180764.db2.gz FXRXREULRGADSF-ZDUSSCGKSA-N 1 0 307.369 1.235 50 0 DDAARO C[NH2+]CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237267518 202211200 /nfs/dbraw/zinc/21/12/00/202211200.db2.gz RQILAZIDUACWKG-LLVKDONJSA-N 1 0 309.385 1.183 50 0 DDAARO C[N@@H+]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000005931612 181297112 /nfs/dbraw/zinc/29/71/12/181297112.db2.gz LCORMNPRSQEXAI-UHFFFAOYSA-N 1 0 314.389 1.020 50 0 DDAARO [NH3+]C1(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000071748685 283399600 /nfs/dbraw/zinc/39/96/00/283399600.db2.gz FYKWMQWXBPGNSZ-UHFFFAOYSA-N 1 0 301.321 1.857 50 0 DDAARO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205674 200209130 /nfs/dbraw/zinc/20/91/30/200209130.db2.gz YVXDGHUHQVGJQT-MLGOLLRUSA-N 1 0 316.380 1.885 50 0 DDAARO Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H]([NH3+])C3)C2=O)cc1C ZINC000237639634 202313519 /nfs/dbraw/zinc/31/35/19/202313519.db2.gz IDJSXWFWTMXWCM-DZGCQCFKSA-N 1 0 301.390 1.216 50 0 DDAARO CC[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000005950381 181299849 /nfs/dbraw/zinc/29/98/49/181299849.db2.gz ABLMDJKBDHGMKE-VXGBXAGGSA-N 1 0 318.211 1.549 50 0 DDAARO COCc1nc(N[C@H]2CC[C@H](O)CC2)cc(C2CC([NH3+])C2)n1 ZINC000243919619 202481257 /nfs/dbraw/zinc/48/12/57/202481257.db2.gz BPUIXKVHQAJOHH-VNOJIWKOSA-N 1 0 306.410 1.543 50 0 DDAARO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S2 ZINC000006216464 181320260 /nfs/dbraw/zinc/32/02/60/181320260.db2.gz YHDSSCAMKRDFDJ-CQSZACIVSA-N 1 0 321.446 1.866 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000195147985 201347994 /nfs/dbraw/zinc/34/79/94/201347994.db2.gz BEGZMICZSJSPJK-QMMMGPOBSA-N 1 0 303.193 1.384 50 0 DDAARO CCn1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)cc1=O ZINC000091547340 193071531 /nfs/dbraw/zinc/07/15/31/193071531.db2.gz OLCHHLVHKOYPTQ-CABCVRRESA-N 1 0 303.406 1.280 50 0 DDAARO COCC[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCCC2)C[C@H]1C ZINC000091493220 193064211 /nfs/dbraw/zinc/06/42/11/193064211.db2.gz BERSMWMKCBYPLA-RHSMWYFYSA-N 1 0 312.454 1.497 50 0 DDAARO COc1cc(C)ccc1OCCN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091644551 193084288 /nfs/dbraw/zinc/08/42/88/193084288.db2.gz XVGGIKCSZDBOBQ-YJBOKZPZSA-N 1 0 320.433 1.429 50 0 DDAARO COCCN1CC2(CCC1=O)CC[NH+](C[C@H]1CCOC1)CC2 ZINC000091677988 193090586 /nfs/dbraw/zinc/09/05/86/193090586.db2.gz GRZAJILVUXGEET-OAHLLOKOSA-N 1 0 310.438 1.374 50 0 DDAARO Nc1ncccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091714016 193096358 /nfs/dbraw/zinc/09/63/58/193096358.db2.gz YPQHILSKDMPSJR-HZPDHXFCSA-N 1 0 304.438 1.190 50 0 DDAARO [NH3+][C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H]1C1CC1 ZINC000091829373 193113539 /nfs/dbraw/zinc/11/35/39/193113539.db2.gz KZICVDHVNXZBKF-CVEARBPZSA-N 1 0 313.401 1.623 50 0 DDAARO COc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1O ZINC000091894195 193122725 /nfs/dbraw/zinc/12/27/25/193122725.db2.gz SMNKXAQNYWENDZ-HZPDHXFCSA-N 1 0 320.433 1.537 50 0 DDAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nncn1C)C2 ZINC000092062123 193151197 /nfs/dbraw/zinc/15/11/97/193151197.db2.gz ZTFCRSYJSCBHFZ-CHWSQXEVSA-N 1 0 323.466 1.240 50 0 DDAARO COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)[C@@](C)(O)C2)cc1 ZINC000092081486 193155110 /nfs/dbraw/zinc/15/51/10/193155110.db2.gz QPXUSEKGEQEJPL-DYVFJYSZSA-N 1 0 306.406 1.057 50 0 DDAARO Cc1ccc(C)c(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000252486902 202844076 /nfs/dbraw/zinc/84/40/76/202844076.db2.gz HQEZQLCODJVXGJ-QGZVFWFLSA-N 1 0 301.434 1.352 50 0 DDAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)[C@H]1CCOC1 ZINC000252527479 202864386 /nfs/dbraw/zinc/86/43/86/202864386.db2.gz CQLQHIYCDPZZSB-AWEZNQCLSA-N 1 0 312.479 1.747 50 0 DDAARO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000094345720 193363433 /nfs/dbraw/zinc/36/34/33/193363433.db2.gz APEVGEIMINCIOT-GXSJLCMTSA-N 1 0 322.352 1.982 50 0 DDAARO C[NH+](C)CCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000016647486 182055316 /nfs/dbraw/zinc/05/53/16/182055316.db2.gz WVEOQIQYQLIIKX-UHFFFAOYSA-N 1 0 323.462 1.668 50 0 DDAARO OCC[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1 ZINC000020166421 182193929 /nfs/dbraw/zinc/19/39/29/182193929.db2.gz KGYAQWJMMDKGIV-SFHVURJKSA-N 1 0 304.434 1.734 50 0 DDAARO O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434504 182217072 /nfs/dbraw/zinc/21/70/72/182217072.db2.gz AGHHTEDMEYRPGQ-PWSUYJOCSA-N 1 0 303.189 1.375 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 ZINC000023106528 182347489 /nfs/dbraw/zinc/34/74/89/182347489.db2.gz CRHAACMHJFWCBR-GFCCVEGCSA-N 1 0 309.435 1.526 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000040597730 183107494 /nfs/dbraw/zinc/10/74/94/183107494.db2.gz DEAOVPVQIMOIFS-LBPRGKRZSA-N 1 0 300.399 1.754 50 0 DDAARO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000050242047 183778448 /nfs/dbraw/zinc/77/84/48/183778448.db2.gz WUAPYENQFQLYIQ-SNVBAGLBSA-N 1 0 319.224 1.479 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000050246616 183778887 /nfs/dbraw/zinc/77/88/87/183778887.db2.gz KAYSFTNNLMWKPP-MRVPVSSYSA-N 1 0 309.218 1.963 50 0 DDAARO Cc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1F ZINC000110975097 194376595 /nfs/dbraw/zinc/37/65/95/194376595.db2.gz UZGIDDXIQODAMK-UHFFFAOYSA-N 1 0 300.399 1.648 50 0 DDAARO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1OC ZINC000056161892 184006222 /nfs/dbraw/zinc/00/62/22/184006222.db2.gz DZBFCSXEPWMTQE-QWRGUYRKSA-N 1 0 323.393 1.718 50 0 DDAARO COc1ccc([C@H](O)C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000058327836 184105698 /nfs/dbraw/zinc/10/56/98/184105698.db2.gz GRGFADYYVMVAOR-SWLSCSKDSA-N 1 0 302.378 1.257 50 0 DDAARO Cc1cccc(C[C@@H](CO)C[NH2+]C[C@H]2CNc3ccnn3C2)c1 ZINC000058328417 184105896 /nfs/dbraw/zinc/10/58/96/184105896.db2.gz QHZBGMVFRKLEKR-SJORKVTESA-N 1 0 314.433 1.674 50 0 DDAARO CCC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000058393835 184112452 /nfs/dbraw/zinc/11/24/52/184112452.db2.gz RACLVLHFTFRHJX-MRXNPFEDSA-N 1 0 305.422 1.510 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)COc2cccc(C)c2)c(C)nn1C ZINC000058405201 184113504 /nfs/dbraw/zinc/11/35/04/184113504.db2.gz QNKPSTDTYRLZMG-AWEZNQCLSA-N 1 0 319.405 1.575 50 0 DDAARO C[C@]1(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CCCC[C@@H]1O ZINC000269078744 207225372 /nfs/dbraw/zinc/22/53/72/207225372.db2.gz ZRQLVQXDKWJWFW-SOLBZPMBSA-N 1 0 302.418 1.758 50 0 DDAARO O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065373478 184330620 /nfs/dbraw/zinc/33/06/20/184330620.db2.gz GSASWFYBHBZXJI-CABCVRRESA-N 1 0 313.401 1.780 50 0 DDAARO C[C@H](CN1CCOCC1)[NH2+]Cc1nncn1C1CCCCC1 ZINC000065381493 184332179 /nfs/dbraw/zinc/33/21/79/184332179.db2.gz LGAGFEFHBHVBJH-CQSZACIVSA-N 1 0 307.442 1.594 50 0 DDAARO CN(CC(=O)N1CCC2(CC[N@H+](C)C2)CC1)Cc1cccnc1 ZINC000065382982 184332509 /nfs/dbraw/zinc/33/25/09/184332509.db2.gz HRCPIRUFUTZWJO-UHFFFAOYSA-N 1 0 316.449 1.458 50 0 DDAARO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000065462657 184348998 /nfs/dbraw/zinc/34/89/98/184348998.db2.gz UDJUOVCPBZUVPF-AWEZNQCLSA-N 1 0 311.385 1.866 50 0 DDAARO CC(C)[NH+]1CCC(N(C)c2ncnc3c2cnn3CCO)CC1 ZINC000065541075 184363206 /nfs/dbraw/zinc/36/32/06/184363206.db2.gz LRTDGFNBZLNATJ-UHFFFAOYSA-N 1 0 318.425 1.128 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000065607161 184372014 /nfs/dbraw/zinc/37/20/14/184372014.db2.gz JDTILFLMSLWRGK-DHZHZOJOSA-N 1 0 317.433 1.763 50 0 DDAARO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)CO ZINC000097163467 285103911 /nfs/dbraw/zinc/10/39/11/285103911.db2.gz BVHUPDNBKWMXME-UHFFFAOYSA-N 1 0 314.451 1.530 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000156305553 197102572 /nfs/dbraw/zinc/10/25/72/197102572.db2.gz IUJFBOAXVPXRCM-GHMZBOCLSA-N 1 0 302.353 1.968 50 0 DDAARO CC1CC[NH+](C[C@H](O)CNC(=O)CSC(C)(C)C)CC1 ZINC000096407866 256555068 /nfs/dbraw/zinc/55/50/68/256555068.db2.gz DLZRZCNUFJHWCZ-CYBMUJFWSA-N 1 0 302.484 1.727 50 0 DDAARO CNC(=O)C(C)(C)C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352694172 257236141 /nfs/dbraw/zinc/23/61/41/257236141.db2.gz VVFOPLQVWOPJPU-UHFFFAOYSA-N 1 0 300.406 1.949 50 0 DDAARO NC(=O)c1c(N)[n+](=O)c2cc(N3CCCCC3)c(F)cc2n1O ZINC000334157424 257262005 /nfs/dbraw/zinc/26/20/05/257262005.db2.gz MDGMJLNJVGBMIQ-UHFFFAOYSA-O 1 0 322.320 1.388 50 0 DDAARO CN1C(=O)C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000020220049 257268847 /nfs/dbraw/zinc/26/88/47/257268847.db2.gz CPCLPXGSRWIPTQ-CQSZACIVSA-N 1 0 312.373 1.500 50 0 aggregator DDAARO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCCO3)ccc2oc1=O ZINC000069378287 406703721 /nfs/dbraw/zinc/70/37/21/406703721.db2.gz OBURZEXFNHHZJM-AWEZNQCLSA-N 1 0 319.361 1.274 50 0 DDAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]CCO ZINC000002071545 406680523 /nfs/dbraw/zinc/68/05/23/406680523.db2.gz PJNJMDKDGAOKMV-UHFFFAOYSA-N 1 0 300.380 1.062 50 0 DDAARO CN(C)c1ccc(C[NH2+]CCn2c3ccccc3oc2=O)cn1 ZINC000069161129 406685771 /nfs/dbraw/zinc/68/57/71/406685771.db2.gz GVPWRMHQVDBVKM-UHFFFAOYSA-N 1 0 312.373 1.845 50 0 DDAARO Cc1cccc(C)c1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000000413245 406644884 /nfs/dbraw/zinc/64/48/84/406644884.db2.gz NPFKYNIFODNCTQ-UHFFFAOYSA-N 1 0 303.391 1.989 50 0 DDAARO Cc1cc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)no1 ZINC000069600152 406742634 /nfs/dbraw/zinc/74/26/34/406742634.db2.gz SGAGMOIPGORDIN-CYBMUJFWSA-N 1 0 317.393 1.998 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069619259 406746203 /nfs/dbraw/zinc/74/62/03/406746203.db2.gz ZGRMAIAVINNYCY-ZDUSSCGKSA-N 1 0 324.812 1.222 50 0 DDAARO CN(C)C(=O)[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000069629679 406747571 /nfs/dbraw/zinc/74/75/71/406747571.db2.gz VUJZRLCYPZANPV-SZNDQCEHSA-N 1 0 308.447 1.594 50 0 DDAARO CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000069384635 406705987 /nfs/dbraw/zinc/70/59/87/406705987.db2.gz VWFZRWSZMUQLAY-CQSZACIVSA-N 1 0 321.446 1.998 50 0 DDAARO c1cnn(-c2ccccc2C[NH2+]C[C@H]2CNc3ccnn3C2)c1 ZINC000069464648 406718132 /nfs/dbraw/zinc/71/81/32/406718132.db2.gz OCBVFIFOXLUHLT-AWEZNQCLSA-N 1 0 308.389 1.900 50 0 DDAARO O=C1NCCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000003683529 406720171 /nfs/dbraw/zinc/72/01/71/406720171.db2.gz IIKXWVZLHFUZQD-QGZVFWFLSA-N 1 0 301.434 1.909 50 0 DDAARO c1csc(-c2n[nH]cc2C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069488828 406720311 /nfs/dbraw/zinc/72/03/11/406720311.db2.gz ULIINGYJCJILNT-NSHDSACASA-N 1 0 300.391 1.834 50 0 DDAARO COc1ccc(CNC(=O)CNCC(C)(C)C[NH+](C)C)cc1 ZINC000008132641 406779257 /nfs/dbraw/zinc/77/92/57/406779257.db2.gz MEOMQFXALVRIJE-UHFFFAOYSA-N 1 0 307.438 1.489 50 0 DDAARO C[C@@H](c1nc(C2CC2)no1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069949017 406794696 /nfs/dbraw/zinc/79/46/96/406794696.db2.gz LWUBVCNHRDXEFD-LBPRGKRZSA-N 1 0 308.426 1.644 50 0 DDAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OC ZINC000008497865 406787889 /nfs/dbraw/zinc/78/78/89/406787889.db2.gz ZPIWHVFPMMVYTH-QMMMGPOBSA-N 1 0 304.184 1.937 50 0 DDAARO c1coc([C@@H](CNc2ccc3nnnn3n2)[NH+]2CCCCC2)c1 ZINC000008724776 406792735 /nfs/dbraw/zinc/79/27/35/406792735.db2.gz WWQGSGJPVFRGKF-GFCCVEGCSA-N 1 0 313.365 1.751 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000070173569 406810082 /nfs/dbraw/zinc/81/00/82/406810082.db2.gz FEFSUVPLNUDXFC-NEPJUHHUSA-N 1 0 300.399 1.882 50 0 DDAARO COCCNC(=O)c1ccc(-c2cccc3c2CC[NH2+]C3)o1 ZINC000071415542 406838958 /nfs/dbraw/zinc/83/89/58/406838958.db2.gz ZCWJIYILEYBNDU-UHFFFAOYSA-N 1 0 300.358 1.969 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2c3ccccc3nc2CO)CC1 ZINC000071824986 406847413 /nfs/dbraw/zinc/84/74/13/406847413.db2.gz NBIDFACTBSXNFW-CQSZACIVSA-N 1 0 303.406 1.621 50 0 DDAARO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000071825280 406847571 /nfs/dbraw/zinc/84/75/71/406847571.db2.gz XMKOVQOTIMYDFC-ZDUSSCGKSA-N 1 0 313.405 1.583 50 0 DDAARO CC1CC[NH+](C[C@H](O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000071832853 406849721 /nfs/dbraw/zinc/84/97/21/406849721.db2.gz QVFGYWABTKLKOH-HNNXBMFYSA-N 1 0 301.394 1.433 50 0 DDAARO CC1(C)CC(Nc2ccc(S(N)(=O)=O)cn2)CC(C)(C)[NH2+]1 ZINC000012741200 406850886 /nfs/dbraw/zinc/85/08/86/406850886.db2.gz WQEMDYRYNUFLNY-UHFFFAOYSA-N 1 0 312.439 1.450 50 0 DDAARO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCNC(=O)C1 ZINC000071856401 406852824 /nfs/dbraw/zinc/85/28/24/406852824.db2.gz JEDKAMCHKZYBQC-MRXNPFEDSA-N 1 0 321.808 1.339 50 0 DDAARO CC[C@H]1CN(c2ncnc3ccsc32)CC[N@@H+]1C[C@@H](C)O ZINC000071859508 406854055 /nfs/dbraw/zinc/85/40/55/406854055.db2.gz AUIAPNJTCHSAFW-NEPJUHHUSA-N 1 0 306.435 1.973 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)NCCC[NH+](C)C ZINC000012865303 406854139 /nfs/dbraw/zinc/85/41/39/406854139.db2.gz SKNSTCUNLNKCOA-UHFFFAOYSA-N 1 0 312.435 1.552 50 0 DDAARO COCCN(C)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000071857137 406854248 /nfs/dbraw/zinc/85/42/48/406854248.db2.gz XUTLIKYDJSUJKP-UHFFFAOYSA-N 1 0 324.400 1.688 50 0 DDAARO Cn1nnc2cc(C(=O)N3CCC[C@H]3[C@H]3CCC[N@@H+]3C)ccc21 ZINC000071870450 406855923 /nfs/dbraw/zinc/85/59/23/406855923.db2.gz SPKGDWAPGVTBCP-CVEARBPZSA-N 1 0 313.405 1.667 50 0 DDAARO CN1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071877189 406859101 /nfs/dbraw/zinc/85/91/01/406859101.db2.gz GUCABMACNPQNMG-KBPBESRZSA-N 1 0 318.339 1.659 50 0 DDAARO C[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)[NH+]1CCCCCC1 ZINC000072293122 406879064 /nfs/dbraw/zinc/87/90/64/406879064.db2.gz USIOPHJORQTWAE-LSDHHAIUSA-N 1 0 305.426 1.706 50 0 DDAARO CC(=O)c1cccc(NC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)c1 ZINC000072306034 406880487 /nfs/dbraw/zinc/88/04/87/406880487.db2.gz APTPLQQFBVJTEU-HZPDHXFCSA-N 1 0 317.389 1.562 50 0 DDAARO O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCC[n+]1ccccc1 ZINC000018212607 406884641 /nfs/dbraw/zinc/88/46/41/406884641.db2.gz KAJVHSYIMJGDTK-KBPBESRZSA-N 1 0 305.785 1.882 50 0 DDAARO CC(C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+](C)C ZINC000025451422 406897942 /nfs/dbraw/zinc/89/79/42/406897942.db2.gz FXWJVZMYOKRQMI-HNNXBMFYSA-N 1 0 316.405 1.168 50 0 DDAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 ZINC000027034209 406907977 /nfs/dbraw/zinc/90/79/77/406907977.db2.gz NMDMAUJZYNTZNA-RYUDHWBXSA-N 1 0 317.389 1.679 50 0 DDAARO CO[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@H]1[NH3+] ZINC000071753127 406842629 /nfs/dbraw/zinc/84/26/29/406842629.db2.gz MRQGWHHIKKMRJZ-RISCZKNCSA-N 1 0 302.378 1.070 50 0 DDAARO [NH3+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000036296876 406978411 /nfs/dbraw/zinc/97/84/11/406978411.db2.gz FWIOTMKRJWILEM-UHFFFAOYSA-N 1 0 306.790 1.839 50 0 DDAARO CC(C)C[N@@H+]1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000036385791 406979097 /nfs/dbraw/zinc/97/90/97/406979097.db2.gz JJAPKPJAXICMKZ-MRXNPFEDSA-N 1 0 320.433 1.940 50 0 DDAARO C[C@H](CCOc1ccccc1)ON1C(=N)NC(=[NH2+])NC1(C)C ZINC000075273286 406928974 /nfs/dbraw/zinc/92/89/74/406928974.db2.gz GOEKUTHYRVKCBU-LLVKDONJSA-N 1 0 305.382 1.457 50 0 DDAARO O=C(NCC[NH+]1CCCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000029999569 406929194 /nfs/dbraw/zinc/92/91/94/406929194.db2.gz LYCFTMLKMYFZMP-UHFFFAOYSA-N 1 0 314.389 1.529 50 0 DDAARO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502501 407025387 /nfs/dbraw/zinc/02/53/87/407025387.db2.gz JZHFRIMDWCFPQS-LLVKDONJSA-N 1 0 302.827 1.926 50 0 DDAARO COc1ccc(C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000044648941 407027882 /nfs/dbraw/zinc/02/78/82/407027882.db2.gz FVEHQVKEODTEHT-UHFFFAOYSA-N 1 0 305.378 1.457 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Cl)n1 ZINC000078510906 407031323 /nfs/dbraw/zinc/03/13/23/407031323.db2.gz MQYIYYIHTHBWPT-LBPRGKRZSA-N 1 0 311.813 1.918 50 0 DDAARO CC[C@H](CO)[NH+]1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000078524236 407032144 /nfs/dbraw/zinc/03/21/44/407032144.db2.gz OJEUMHIIAQITNC-CYBMUJFWSA-N 1 0 304.369 1.662 50 0 DDAARO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000044935880 407034649 /nfs/dbraw/zinc/03/46/49/407034649.db2.gz XKOKOYRVODOZLK-GFCCVEGCSA-N 1 0 322.430 1.384 50 0 DDAARO O[C@@]1(CNCc2ccc(OC(F)(F)F)cc2)C[NH2+]CCOC1 ZINC000077303948 406984607 /nfs/dbraw/zinc/98/46/07/406984607.db2.gz JETJOHDZTSTSBG-CYBMUJFWSA-N 1 0 320.311 1.026 50 0 DDAARO O=C(c1cnccn1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077566369 406996915 /nfs/dbraw/zinc/99/69/15/406996915.db2.gz DXYRXBMBXJZSEJ-UHFFFAOYSA-N 1 0 322.412 1.792 50 0 DDAARO CC(=O)N(C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000046147556 407055880 /nfs/dbraw/zinc/05/58/80/407055880.db2.gz BIFSHXJEFYSRCM-CYBMUJFWSA-N 1 0 309.435 1.480 50 0 DDAARO COC(=O)CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050024418 407126188 /nfs/dbraw/zinc/12/61/88/407126188.db2.gz MPDLWQCIWRIPFL-INIZCTEOSA-N 1 0 318.417 1.968 50 0 DDAARO Cc1cc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C)n(C(C)(C)C)n1 ZINC000089591609 407140938 /nfs/dbraw/zinc/14/09/38/407140938.db2.gz KEFBTSPSDQZZQC-ZDUSSCGKSA-N 1 0 307.442 1.521 50 0 DDAARO Cc1ccc([C@H](CNC(=O)NCC2(O)CCC2)[NH+]2CCCC2)o1 ZINC000089652519 407142992 /nfs/dbraw/zinc/14/29/92/407142992.db2.gz WPZWBQUIDWHDMD-AWEZNQCLSA-N 1 0 321.421 1.939 50 0 DDAARO CC(=O)N1CCC(C(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000053152494 407164644 /nfs/dbraw/zinc/16/46/44/407164644.db2.gz BBMHQHBAQVJASL-UHFFFAOYSA-N 1 0 309.454 1.578 50 0 DDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000054226060 407180178 /nfs/dbraw/zinc/18/01/78/407180178.db2.gz XFEVZUCYLKSXKN-CJNGLKHVSA-N 1 0 311.385 1.940 50 0 DDAARO NC(=O)[C@@H]1CCC[N@H+](CCNc2ncnc3cccc(F)c32)C1 ZINC000092028894 407186365 /nfs/dbraw/zinc/18/63/65/407186365.db2.gz PUIAHUOHDZOCKV-LLVKDONJSA-N 1 0 317.368 1.378 50 0 DDAARO C[NH+]1CCN(CCNC(=O)/C=C\c2ccccc2Cl)CC1 ZINC000096248621 407256189 /nfs/dbraw/zinc/25/61/89/407256189.db2.gz OKLSXFKNEMPNKQ-SREVYHEPSA-N 1 0 307.825 1.717 50 0 DDAARO Cc1cc(-c2ncnc(N3CC[NH+](C)CC3)c2N)ccc1F ZINC000096282126 407258240 /nfs/dbraw/zinc/25/82/40/407258240.db2.gz DRXNXRXGVBRCMS-UHFFFAOYSA-N 1 0 301.369 1.925 50 0 DDAARO Cc1nc2c(nc(C)nc2N(CC[NH+](C)C)C[C@@H]2CCCO2)o1 ZINC000055107819 407195694 /nfs/dbraw/zinc/19/56/94/407195694.db2.gz FWUCDADSOZMYKJ-ZDUSSCGKSA-N 1 0 319.409 1.782 50 0 DDAARO COC[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1ccnn1C ZINC000055153446 407196758 /nfs/dbraw/zinc/19/67/58/407196758.db2.gz OKQVAJQHVRLYAR-HNNXBMFYSA-N 1 0 322.453 1.880 50 0 DDAARO COCc1cc(N2CCCO[C@@H](C[NH+]3CCCC3)C2)ncn1 ZINC000095353539 407208382 /nfs/dbraw/zinc/20/83/82/407208382.db2.gz LFACEKMJNYDPJT-HNNXBMFYSA-N 1 0 306.410 1.314 50 0 DDAARO Cc1ccc(C)n1-c1c(C(=O)NC[C@H](C)[NH+](C)C)cnn1C ZINC000056969292 407211456 /nfs/dbraw/zinc/21/14/56/407211456.db2.gz PJSJLEUKSNVYRG-ZDUSSCGKSA-N 1 0 303.410 1.508 50 0 DDAARO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000095968251 407218400 /nfs/dbraw/zinc/21/84/00/407218400.db2.gz ZYBBHLWTSJEMRL-GXSJLCMTSA-N 1 0 315.215 1.245 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1cccc(OCC(N)=O)c1)C2 ZINC000102617703 407324383 /nfs/dbraw/zinc/32/43/83/407324383.db2.gz BSQYLDLNEUPBNZ-HWWDLCQESA-N 1 0 317.433 1.323 50 0 DDAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1[nH]c(=O)nc3ccccc31)C2 ZINC000067696097 407280060 /nfs/dbraw/zinc/28/00/60/407280060.db2.gz GZVJQENTFHEXAW-NWDGAFQWSA-N 1 0 312.373 1.644 50 0 DDAARO CCCc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC000067743729 407282450 /nfs/dbraw/zinc/28/24/50/407282450.db2.gz YJNFRYIPDLQDLH-INIZCTEOSA-N 1 0 321.421 1.887 50 0 DDAARO CN(CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccncc1 ZINC000067769492 407283498 /nfs/dbraw/zinc/28/34/98/407283498.db2.gz IZIJUHUEVMLRQF-QGZVFWFLSA-N 1 0 302.422 1.116 50 0 DDAARO Cc1nc(CC[NH3+])cc(NCc2noc(C3CCCC3)n2)n1 ZINC000067772230 407284479 /nfs/dbraw/zinc/28/44/79/407284479.db2.gz QOKCCTURISWCCD-UHFFFAOYSA-N 1 0 302.382 1.939 50 0 DDAARO CC(C)CC(=O)C(=O)NC[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000067833597 407286473 /nfs/dbraw/zinc/28/64/73/407286473.db2.gz DAAGQWIVJCDDMR-CQSZACIVSA-N 1 0 310.438 1.609 50 0 DDAARO O[C@H](C[NH2+]Cc1cccnc1)COc1ccc2c(c1)OCO2 ZINC000067975972 407292651 /nfs/dbraw/zinc/29/26/51/407292651.db2.gz KACQBSUKZXKXPT-CYBMUJFWSA-N 1 0 302.330 1.340 50 0 DDAARO O[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000097553149 407299349 /nfs/dbraw/zinc/29/93/49/407299349.db2.gz LLTPVSAXLBSNSM-CQSZACIVSA-N 1 0 305.374 1.574 50 0 DDAARO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1F ZINC000103162173 407332869 /nfs/dbraw/zinc/33/28/69/407332869.db2.gz HEPOFPTYNGWSIE-UHFFFAOYSA-N 1 0 300.399 1.683 50 0 DDAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000097759423 407302143 /nfs/dbraw/zinc/30/21/43/407302143.db2.gz YYHMSIJEIICCDC-CQSZACIVSA-N 1 0 312.421 1.930 50 0 DDAARO OC1(Cn2ccnc2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000097772791 407302372 /nfs/dbraw/zinc/30/23/72/407302372.db2.gz MGSHKHLSRJGNPX-UHFFFAOYSA-N 1 0 313.361 1.446 50 0 DDAARO COc1cccc(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000106913235 407366122 /nfs/dbraw/zinc/36/61/22/407366122.db2.gz CKHKQINNPXWILF-ZFWWWQNUSA-N 1 0 324.446 1.694 50 0 DDAARO CC(C)Cn1ncc2cc(C(=O)N3CC[NH2+]C[C@H]3C)cnc21 ZINC000124855158 407371902 /nfs/dbraw/zinc/37/19/02/407371902.db2.gz AAGWOBFONFOCBV-GFCCVEGCSA-N 1 0 301.394 1.521 50 0 DDAARO Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+]C[C@@H]3C)c2)nn1 ZINC000125737044 407396475 /nfs/dbraw/zinc/39/64/75/407396475.db2.gz OZGRFTKDSLHGHR-ZDUSSCGKSA-N 1 0 311.389 1.963 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)COc1cccc(Br)c1 ZINC000126483186 407414767 /nfs/dbraw/zinc/41/47/67/407414767.db2.gz INBQEPZIYYGZAL-JTQLQIEISA-N 1 0 313.195 1.648 50 0 DDAARO CCOC(=O)c1ccoc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000170653791 407465721 /nfs/dbraw/zinc/46/57/21/407465721.db2.gz SJVAIWDUETZUKX-CQSZACIVSA-N 1 0 322.405 1.610 50 0 DDAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000215112580 407478545 /nfs/dbraw/zinc/47/85/45/407478545.db2.gz JNXIPYLCHPCPAM-HNNXBMFYSA-N 1 0 306.406 1.942 50 0 DDAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000215388948 407482721 /nfs/dbraw/zinc/48/27/21/407482721.db2.gz ARSRFNRXKWUIIE-AWEZNQCLSA-N 1 0 308.426 1.418 50 0 DDAARO COCCNC(=O)[C@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257187737 407484761 /nfs/dbraw/zinc/48/47/61/407484761.db2.gz CEHORZLEVNLXMZ-KRWDZBQOSA-N 1 0 306.406 1.024 50 0 DDAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000215341046 407485452 /nfs/dbraw/zinc/48/54/52/407485452.db2.gz SOGKASBOZJXHDY-LLVKDONJSA-N 1 0 310.369 1.801 50 0 DDAARO Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)OCO2 ZINC000253416049 407442547 /nfs/dbraw/zinc/44/25/47/407442547.db2.gz RVZKDKXCPRKTSL-WDEREUQCSA-N 1 0 312.391 1.224 50 0 DDAARO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccn[nH]3)[C@H](C)C2)s1 ZINC000253418823 407444364 /nfs/dbraw/zinc/44/43/64/407444364.db2.gz AJFMEMCLVSKXDD-ZWNOBZJWSA-N 1 0 319.434 1.815 50 0 DDAARO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000253429257 407447367 /nfs/dbraw/zinc/44/73/67/407447367.db2.gz CHOGAJIGEVFZHR-YOEHRIQHSA-N 1 0 306.454 1.925 50 0 DDAARO Nc1nc(N[C@H](CO)Cc2ccccc2)cc(C2CC(O)C2)[nH+]1 ZINC000222400283 407556279 /nfs/dbraw/zinc/55/62/79/407556279.db2.gz VLWWGRCLFWTMMG-MOKVOYLWSA-N 1 0 314.389 1.313 50 0 DDAARO Cc1nc(CCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)sc1C ZINC000218949409 407525701 /nfs/dbraw/zinc/52/57/01/407525701.db2.gz AVKVXHHDFMUXBV-CYBMUJFWSA-N 1 0 310.467 1.055 50 0 DDAARO Cc1nc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)cs1 ZINC000219629575 407531561 /nfs/dbraw/zinc/53/15/61/407531561.db2.gz IEBXBXUPRFYTTK-UHFFFAOYSA-N 1 0 304.423 1.665 50 0 DDAARO Cc1n[nH]c(C)c1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219676830 407532681 /nfs/dbraw/zinc/53/26/81/407532681.db2.gz GUYQSGUHXXEZNZ-UHFFFAOYSA-N 1 0 301.398 1.240 50 0 DDAARO O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000152023445 407546749 /nfs/dbraw/zinc/54/67/49/407546749.db2.gz NMRRPYYKNPBDNM-RHSMWYFYSA-N 1 0 312.369 1.818 50 0 DDAARO Nc1nc(CN2CC[NH2+]CC2)nc2sc3c(c21)CCCC3 ZINC000261892145 407657925 /nfs/dbraw/zinc/65/79/25/407657925.db2.gz VMSCXXAMRJIBNP-UHFFFAOYSA-N 1 0 303.435 1.558 50 0 DDAARO COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314170 407658374 /nfs/dbraw/zinc/65/83/74/407658374.db2.gz ICBKLMQPHYBDHC-ZJUUUORDSA-N 1 0 307.316 1.615 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000230195706 407685230 /nfs/dbraw/zinc/68/52/30/407685230.db2.gz WEODCYLREYJOOQ-GJZGRUSLSA-N 1 0 317.433 1.886 50 0 DDAARO COc1cc(C)ccc1OCCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153233665 407781935 /nfs/dbraw/zinc/78/19/35/407781935.db2.gz XUFHNRIOWUCNCC-OKILXGFUSA-N 1 0 306.406 1.981 50 0 DDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000237965679 407857479 /nfs/dbraw/zinc/85/74/79/407857479.db2.gz DJJQOSBZFMUYCM-SNVBAGLBSA-N 1 0 303.391 1.554 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N[C@H]1CCCCNC1=O ZINC000239762180 407903701 /nfs/dbraw/zinc/90/37/01/407903701.db2.gz CLDMZAGCHQLNIO-SOUVJXGZSA-N 1 0 307.438 1.426 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000237928900 407850579 /nfs/dbraw/zinc/85/05/79/407850579.db2.gz BYVKPFQOHUVWQY-QMMMGPOBSA-N 1 0 312.288 1.566 50 0 DDAARO Cc1noc([C@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 ZINC000244899816 407945858 /nfs/dbraw/zinc/94/58/58/407945858.db2.gz ZQWWSFRFQUCTJO-GFCCVEGCSA-N 1 0 316.427 1.187 50 0 DDAARO CCc1nccn1CC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000244633579 407927538 /nfs/dbraw/zinc/92/75/38/407927538.db2.gz GFJYZLKZPQYEQF-INIZCTEOSA-N 1 0 312.417 1.618 50 0 DDAARO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000244774210 407936972 /nfs/dbraw/zinc/93/69/72/407936972.db2.gz PPPORDLBQVGZJC-OAHLLOKOSA-N 1 0 319.405 1.463 50 0 DDAARO CC(=O)Nc1cccc(NC(=O)CCN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000244795334 407939638 /nfs/dbraw/zinc/93/96/38/407939638.db2.gz REFTWEKSFUWNCE-MRXNPFEDSA-N 1 0 318.421 1.610 50 0 DDAARO COc1ccc(CNC(=O)CC[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1 ZINC000244894009 407944685 /nfs/dbraw/zinc/94/46/85/407944685.db2.gz YYDFRURSGVVPQP-HWWDLCQESA-N 1 0 318.417 1.404 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000158495841 408342664 /nfs/dbraw/zinc/34/26/64/408342664.db2.gz UPQVUGLIWDBXAA-HOTGVXAUSA-N 1 0 321.396 1.149 50 0 DDAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247494060 408481095 /nfs/dbraw/zinc/48/10/95/408481095.db2.gz MHXVTWKWNVDIME-JTQLQIEISA-N 1 0 318.801 1.948 50 0 DDAARO C[N@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000248137414 408536722 /nfs/dbraw/zinc/53/67/22/408536722.db2.gz SANIAZWXTGUPKP-HUUCEWRRSA-N 1 0 323.389 1.404 50 0 DDAARO O=S(=O)(CC[NH+]1CCCC1)N[C@H]1CCCOc2ccccc21 ZINC000192578068 408613023 /nfs/dbraw/zinc/61/30/23/408613023.db2.gz SCIPIDBBQSFNOV-HNNXBMFYSA-N 1 0 324.446 1.916 50 0 DDAARO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1nncn1C ZINC000065437148 286954570 /nfs/dbraw/zinc/95/45/70/286954570.db2.gz KIRQDNRTXVERLI-OLZOCXBDSA-N 1 0 306.414 1.146 50 0 DDAARO Cc1cc(C[NH+]2CCC(C(=O)NC(C)C)CC2)nc(N(C)C)n1 ZINC000252498286 408799726 /nfs/dbraw/zinc/79/97/26/408799726.db2.gz QXKLRCVYFGYJAB-UHFFFAOYSA-N 1 0 319.453 1.588 50 0 DDAARO CNC(=O)[C@H]1CC[C@H](CNc2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000252549889 408805498 /nfs/dbraw/zinc/80/54/98/408805498.db2.gz RWIMZUWOJZQKME-HXZBBRIXSA-N 1 0 317.437 1.646 50 0 DDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1nccn1CC ZINC000252670429 408808974 /nfs/dbraw/zinc/80/89/74/408808974.db2.gz KNYNVTBZUMBJRD-CHWSQXEVSA-N 1 0 314.455 1.053 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3ccccn3)C2)C1 ZINC000249691546 408755078 /nfs/dbraw/zinc/75/50/78/408755078.db2.gz LPAQTRNGWBGYNS-HOTGVXAUSA-N 1 0 316.449 1.899 50 0 DDAARO COC(=O)C[C@@H]1CSCCN1Cc1cn2ccsc2n1 ZINC000178144272 408779772 /nfs/dbraw/zinc/77/97/72/408779772.db2.gz SQILYVNERICMCP-LLVKDONJSA-N 1 0 311.432 1.876 50 0 DDAARO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000278925888 409113991 /nfs/dbraw/zinc/11/39/91/409113991.db2.gz BOQXTVSSGAKZJW-CQSZACIVSA-N 1 0 303.406 1.621 50 0 DDAARO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333248784 410442337 /nfs/dbraw/zinc/44/23/37/410442337.db2.gz CVBRDMWQWZXKDH-FMKPAKJESA-N 1 0 313.401 1.398 50 0 DDAARO CN(C)c1ccc(CC(=O)NCC[NH+]2CCC(CO)CC2)cc1 ZINC000299763071 410611984 /nfs/dbraw/zinc/61/19/84/410611984.db2.gz GMNDKWHRQGVRIJ-UHFFFAOYSA-N 1 0 319.449 1.116 50 0 DDAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000299782125 410623714 /nfs/dbraw/zinc/62/37/14/410623714.db2.gz DKDUPQUHVKQJGR-CYBMUJFWSA-N 1 0 307.394 1.178 50 0 DDAARO O=C1C[C@H](C[N@@H+]2CCc3nc[nH]c(=O)c3C2)CN1c1ccccc1 ZINC000299781846 410623891 /nfs/dbraw/zinc/62/38/91/410623891.db2.gz RVUMZFLMUMGZCP-CYBMUJFWSA-N 1 0 324.384 1.593 50 0 DDAARO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)c2c[nH]cn2)CC1 ZINC000299785836 410628596 /nfs/dbraw/zinc/62/85/96/410628596.db2.gz OJMRUOFQMGODCA-AWEZNQCLSA-N 1 0 305.426 1.042 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(-n2cncn2)c1 ZINC000299792090 410631380 /nfs/dbraw/zinc/63/13/80/410631380.db2.gz GOHBLCLBVXWLOX-HNNXBMFYSA-N 1 0 314.393 1.873 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)[nH]c12 ZINC000299802623 410641158 /nfs/dbraw/zinc/64/11/58/410641158.db2.gz TZWXCTUYVZZVRV-HOCLYGCPSA-N 1 0 315.417 1.664 50 0 DDAARO COCCN1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000343920963 410810384 /nfs/dbraw/zinc/81/03/84/410810384.db2.gz DJTQLOOBFBTEQT-INIZCTEOSA-N 1 0 308.397 1.830 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)C(C)C)C1 ZINC000134154534 196365875 /nfs/dbraw/zinc/36/58/75/196365875.db2.gz GSMNGHXOMUADTJ-CYBMUJFWSA-N 1 0 324.446 1.693 50 0 DDAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1nc(C)cc2C ZINC000044908639 418431775 /nfs/dbraw/zinc/43/17/75/418431775.db2.gz VZDBYQYUJLBFIT-UHFFFAOYSA-N 1 0 303.410 1.808 50 0 DDAARO COc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(N)=O)C3)o2)cc1 ZINC000048035245 418464300 /nfs/dbraw/zinc/46/43/00/418464300.db2.gz KGTVAWPDNSGPSY-LLVKDONJSA-N 1 0 302.334 1.052 50 0 DDAARO COc1ccc(CC(=O)NCC(C)(C)C[NH+](C)C)c(OC)c1 ZINC000048333367 418471036 /nfs/dbraw/zinc/47/10/36/418471036.db2.gz LJDCDUCHLRDDIP-UHFFFAOYSA-N 1 0 308.422 1.950 50 0 DDAARO COC(=O)CN1CCC[N@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000241930312 222211304 /nfs/dbraw/zinc/21/13/04/222211304.db2.gz UHOINCGHZOFNHZ-INIZCTEOSA-N 1 0 316.445 1.972 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000241969568 222212271 /nfs/dbraw/zinc/21/22/71/222212271.db2.gz UXNQCWKFFXWZNA-ZDUSSCGKSA-N 1 0 312.410 1.993 50 0 DDAARO CC[N@@H+]1CC[C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000408520902 418807829 /nfs/dbraw/zinc/80/78/29/418807829.db2.gz APWQNCVYPCNHLG-GFCCVEGCSA-N 1 0 316.430 1.958 50 0 DDAARO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000408524910 418809211 /nfs/dbraw/zinc/80/92/11/418809211.db2.gz YMKKLHSAWZBCMT-NEPJUHHUSA-N 1 0 319.434 1.403 50 0 DDAARO CCc1c(C)nn(CCNC(=O)C[C@H](C)[NH+]2CCOCC2)c1C ZINC000426478048 419483506 /nfs/dbraw/zinc/48/35/06/419483506.db2.gz RKLYFQBYPKDAOR-ZDUSSCGKSA-N 1 0 322.453 1.289 50 0 DDAARO O=C(NCCc1c[nH]cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426397628 419456638 /nfs/dbraw/zinc/45/66/38/419456638.db2.gz SYMVKHQWZGCQOJ-UHFFFAOYSA-N 1 0 305.426 1.612 50 0 DDAARO CCN(Cc1noc(C)n1)C(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426432072 419468304 /nfs/dbraw/zinc/46/83/04/419468304.db2.gz VMACVJFSJWJFII-UHFFFAOYSA-N 1 0 322.340 1.517 50 0 DDAARO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C2)c(OC)c1 ZINC000426730438 419539563 /nfs/dbraw/zinc/53/95/63/419539563.db2.gz QIPUAQOQWGHPBJ-ZDUSSCGKSA-N 1 0 307.394 1.549 50 0 DDAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000299741220 229376287 /nfs/dbraw/zinc/37/62/87/229376287.db2.gz DVAMDOWJQGMBRQ-NEPJUHHUSA-N 1 0 303.189 1.895 50 0 DDAARO CCO/C=C\[C@](O)(C[NH2+]Cc1cncn1CC)C(F)(F)F ZINC000606445885 422459441 /nfs/dbraw/zinc/45/94/41/422459441.db2.gz HUFTXRBWISNTND-FJOGCWAESA-N 1 0 307.316 1.836 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000058381016 273599630 /nfs/dbraw/zinc/59/96/30/273599630.db2.gz DYHJWGGTSIULJN-SOUVJXGZSA-N 1 0 306.406 1.030 50 0 DDAARO c1cnc(N2CCC[C@@H]([NH2+]Cc3cccc4c3OCO4)C2)nc1 ZINC000042797446 275073580 /nfs/dbraw/zinc/07/35/80/275073580.db2.gz MPODMOHOUKEYSH-CQSZACIVSA-N 1 0 312.373 1.964 50 0 DDAARO CCOc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncn1 ZINC000097095474 276370380 /nfs/dbraw/zinc/37/03/80/276370380.db2.gz IADOUSUXINVZBU-CQSZACIVSA-N 1 0 306.410 1.424 50 0 DDAARO O=C(NCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1 ZINC000130366461 279843482 /nfs/dbraw/zinc/84/34/82/279843482.db2.gz LHQFJPHCEPHVEM-ZJUUUORDSA-N 1 0 304.316 1.850 50 0 DDAARO Cc1nc2c(c(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)n1)CCC2 ZINC000219122721 282014195 /nfs/dbraw/zinc/01/41/95/282014195.db2.gz WGCQFYWHVZALKW-XLNGHYISSA-N 1 0 314.433 1.937 50 0 DDAARO C[C@H](CN1CCc2ccccc2C1)[NH2+]C1CCS(=O)CC1 ZINC000067740628 289623147 /nfs/dbraw/zinc/62/31/47/289623147.db2.gz LXCHOHMXVIMSHI-OKSICCMJSA-N 1 0 306.475 1.934 50 0 DDAARO COC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400719829 302370616 /nfs/dbraw/zinc/37/06/16/302370616.db2.gz OCNAUKAYURTZQT-JHJVBQTASA-N 1 0 302.415 1.371 50 0 DDAARO CC(C)[C@H]1CN(Cc2ccc(C(=O)N(C)C)o2)C[C@@H]1[NH+](C)C ZINC000092028544 332117905 /nfs/dbraw/zinc/11/79/05/332117905.db2.gz SXTZIWJMBKPUAZ-CABCVRRESA-N 1 0 307.438 1.999 50 0 DDAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000534645425 334306940 /nfs/dbraw/zinc/30/69/40/334306940.db2.gz VHNFIZPCCUHJFN-GFCCVEGCSA-N 1 0 311.393 1.804 50 0 DDAARO NC(=O)c1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)ncn1 ZINC000585092661 483920837 /nfs/dbraw/zinc/92/08/37/483920837.db2.gz IPXCAVALHXBMHM-LBPRGKRZSA-N 1 0 317.418 1.886 50 0 DDAARO CC(=O)N1CCC([N@@H+]2C[C@H](N(C)C)[C@@H](c3ccc(C)o3)C2)CC1 ZINC000091966215 484015525 /nfs/dbraw/zinc/01/55/25/484015525.db2.gz YJTKPLBJQOSABN-IRXDYDNUSA-N 1 0 319.449 1.928 50 0 DDAARO C[C@@H](Cc1ccccc1F)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271445 484785477 /nfs/dbraw/zinc/78/54/77/484785477.db2.gz PHIWHEFWUDSZPC-PKSQDBQZSA-N 1 0 300.399 1.427 50 0 DDAARO Cc1nncn1CC[NH+]1CCC(c2nc(C(C)C)no2)CC1 ZINC000670458864 484842666 /nfs/dbraw/zinc/84/26/66/484842666.db2.gz CISSZOQMFSVMMB-UHFFFAOYSA-N 1 0 304.398 1.973 50 0 DDAARO Cn1nc(C(N)=O)c2c1CC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)C2 ZINC000670458917 484843129 /nfs/dbraw/zinc/84/31/29/484843129.db2.gz FCYDYUFIBMRIJV-JSGCOSHPSA-N 1 0 314.433 1.870 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(O)cc2C)C1 ZINC000219289949 545651184 /nfs/dbraw/zinc/65/11/84/545651184.db2.gz ZHCUJGQFLXGBFU-AWEZNQCLSA-N 1 0 306.406 1.789 50 0 DDAARO CC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC3CCCCC3)C2)CC1 ZINC000012718074 696051480 /nfs/dbraw/zinc/05/14/80/696051480.db2.gz MJIZQSDKWOKKGH-KRWDZBQOSA-N 1 0 321.465 1.768 50 0 DDAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000019227639 696068958 /nfs/dbraw/zinc/06/89/58/696068958.db2.gz OPHPAYKBWDETPU-UHFFFAOYSA-N 1 0 315.417 1.978 50 0 DDAARO Cc1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)[nH]n1 ZINC000039485651 696137457 /nfs/dbraw/zinc/13/74/57/696137457.db2.gz HAPAKZTZGJUDLV-GOSISDBHSA-N 1 0 314.433 1.787 50 0 DDAARO Cc1nc2c(c(N[C@H](C)c3cnn(C)c3)n1)CC[N@H+](C)CC2 ZINC000065499734 696345428 /nfs/dbraw/zinc/34/54/28/696345428.db2.gz IGDLOROQILTLKY-LLVKDONJSA-N 1 0 300.410 1.722 50 0 DDAARO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nn1 ZINC000150763684 696877587 /nfs/dbraw/zinc/87/75/87/696877587.db2.gz SHDPILYUCOOSOV-CYBMUJFWSA-N 1 0 304.394 1.576 50 0 DDAARO COCCN1CCCN(Cc2ccc3ccccc3n2)CC1=O ZINC000190766898 697595969 /nfs/dbraw/zinc/59/59/69/697595969.db2.gz UWCOXCASBBQIJW-UHFFFAOYSA-N 1 0 313.401 1.916 50 0 DDAARO O[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)C1CCCCC1 ZINC000248909916 698383839 /nfs/dbraw/zinc/38/38/39/698383839.db2.gz MRPVOSQXVWHZTE-MRXNPFEDSA-N 1 0 304.438 1.930 50 0 DDAARO CC(C)C[N@@H+]1CCN(Cc2nncn2C(C)C)C[C@@H]1CCO ZINC000252482325 698402790 /nfs/dbraw/zinc/40/27/90/698402790.db2.gz DCZHGYVZCDNVDF-HNNXBMFYSA-N 1 0 309.458 1.384 50 0 DDAARO CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H]([NH3+])c2ccns2)C1 ZINC000958527745 716612118 /nfs/dbraw/zinc/61/21/18/716612118.db2.gz GBRABXWAIIWZHG-SMDDNHRTSA-N 1 0 313.423 1.905 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]([NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000958527654 716612417 /nfs/dbraw/zinc/61/24/17/716612417.db2.gz CRXLOKISCBPFCN-LBPRGKRZSA-N 1 0 310.398 1.019 50 0 DDAARO Cc1cc(N)n(CC(=O)NCC[N@@H+](C)CCc2ccccc2)n1 ZINC000952965209 721528748 /nfs/dbraw/zinc/52/87/48/721528748.db2.gz FWIPENZXMPACQD-UHFFFAOYSA-N 1 0 315.421 1.064 50 0 DDAARO COc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CO)cc2)cc1 ZINC000952989721 721533121 /nfs/dbraw/zinc/53/31/21/721533121.db2.gz RXKZATSVLUIXCP-HNNXBMFYSA-N 1 0 302.330 1.746 50 0 DDAARO Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)[nH]1 ZINC000822275535 758197446 /nfs/dbraw/zinc/19/74/46/758197446.db2.gz DNUDAEFMMURDBA-NSHDSACASA-N 1 0 314.393 1.464 50 0 DDAARO CCn1cnnc1CCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000823592625 758326758 /nfs/dbraw/zinc/32/67/58/758326758.db2.gz VQGJXSHJEBXJLI-UHFFFAOYSA-N 1 0 317.393 1.459 50 0 DDAARO COc1ncc(CN2CCC[N@H+](Cc3ccccn3)CC2)cn1 ZINC000824851735 759210949 /nfs/dbraw/zinc/21/09/49/759210949.db2.gz AMAXWMHLXVDQEB-UHFFFAOYSA-N 1 0 313.405 1.588 50 0 DDAARO CC(C)[C@H](CCO)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000585129452 771961968 /nfs/dbraw/zinc/96/19/68/771961968.db2.gz JZAQXVWEDZQIDI-GPANFISMSA-N 1 0 312.454 1.401 50 0 DDAARO O=c1cc(C2CC2)ncn1CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000585632903 773686035 /nfs/dbraw/zinc/68/60/35/773686035.db2.gz YLPKPXDRPNQQET-OAHLLOKOSA-N 1 0 317.433 1.869 50 0 DDAARO Clc1cnc(C[C@@H]2CC[C@H](C[N@@H+]3CCCOCC3)O2)nc1 ZINC000952854461 775580761 /nfs/dbraw/zinc/58/07/61/775580761.db2.gz MORIHTOTLNXCKD-UONOGXRCSA-N 1 0 311.813 1.942 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1-n1nnnc1C ZINC000095474773 185373365 /nfs/dbraw/zinc/37/33/65/185373365.db2.gz XMEQIMNYOLAJLK-CYBMUJFWSA-N 1 0 314.393 1.185 50 0 DDAARO CO[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000078914848 185128766 /nfs/dbraw/zinc/12/87/66/185128766.db2.gz ADECEJDPJHLMPD-KRWDZBQOSA-N 1 0 319.449 1.470 50 0 DDAARO CN1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 ZINC000067284648 539033006 /nfs/dbraw/zinc/03/30/06/539033006.db2.gz RSKWRJLFMWFKAU-UHFFFAOYSA-N 1 0 320.784 1.589 50 0 DDAARO C[C@H](CO)[N@@H+]1CCCN(c2ccc(OC(F)F)cn2)CC1 ZINC000328588033 231232007 /nfs/dbraw/zinc/23/20/07/231232007.db2.gz LPNSJFHCIXSAEI-LLVKDONJSA-N 1 0 301.337 1.576 50 0 DDAARO CC[N@@H+](Cc1cccc(OCC(N)=O)c1)C[C@H]1CCCCO1 ZINC000215724452 539264275 /nfs/dbraw/zinc/26/42/75/539264275.db2.gz OGFNMGSPQWKUMC-MRXNPFEDSA-N 1 0 306.406 1.942 50 0 DDAARO COc1cc(CN2CC[C@@H]([NH2+]Cc3cc[nH]n3)C2)cc(OC)c1 ZINC000088755801 185263969 /nfs/dbraw/zinc/26/39/69/185263969.db2.gz FXWJOTHMRCQAGA-OAHLLOKOSA-N 1 0 316.405 1.791 50 0 DDAARO CSc1nc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)cs1 ZINC000082135639 192361246 /nfs/dbraw/zinc/36/12/46/192361246.db2.gz PWQHMZUMJXETTP-UHFFFAOYSA-N 1 0 323.447 1.485 50 0 DDAARO O=C(C[N@H+](CCc1ccc2c(c1)CCO2)C1CC1)NC1CC1 ZINC000095405124 185355683 /nfs/dbraw/zinc/35/56/83/185355683.db2.gz ANYPPAOESLJTHK-UHFFFAOYSA-N 1 0 300.402 1.907 50 0 DDAARO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299750205 529989537 /nfs/dbraw/zinc/98/95/37/529989537.db2.gz MVXOYTQTRIPKOY-JQWIXIFHSA-N 1 0 318.295 1.266 50 0 DDAARO C[C@@](O)(C[NH+]1CCC(c2ncc(C(N)=O)[nH]2)CC1)C(F)(F)F ZINC000685941098 539565833 /nfs/dbraw/zinc/56/58/33/539565833.db2.gz QVNZFIBOBSWZJN-GFCCVEGCSA-N 1 0 320.315 1.001 50 0 DDAARO COc1ncnc(N)c1C[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000083915176 192390329 /nfs/dbraw/zinc/39/03/29/192390329.db2.gz OLUMXFJKETZPNB-UHFFFAOYSA-N 1 0 324.388 1.585 50 0 DDAARO CO[C@H]1CN(C(=O)c2[nH]c(-c3ccccc3)nc2C)CC[C@H]1[NH3+] ZINC000071708180 191011339 /nfs/dbraw/zinc/01/13/39/191011339.db2.gz VBWFGHMBNLWGKE-KGLIPLIRSA-N 1 0 314.389 1.573 50 0 DDAARO COCCCN(C(=O)c1ccnc(N)c1)C1CC[NH+](C)CC1 ZINC000072140491 191047443 /nfs/dbraw/zinc/04/74/43/191047443.db2.gz KWIVCPDZAFCYHD-UHFFFAOYSA-N 1 0 306.410 1.237 50 0 DDAARO CC(=O)C1(c2ccccc2)CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000072121906 191040569 /nfs/dbraw/zinc/04/05/69/191040569.db2.gz AAPXDZJPTKYKNP-HNNXBMFYSA-N 1 0 302.374 1.718 50 0 DDAARO CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)ccn1 ZINC000072153994 191058029 /nfs/dbraw/zinc/05/80/29/191058029.db2.gz VXQBOKOVCIJKIK-QGZVFWFLSA-N 1 0 317.433 1.705 50 0 DDAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc4nonc4c3)CC2)O1 ZINC000072164596 191065709 /nfs/dbraw/zinc/06/57/09/191065709.db2.gz SVDVQXDAIYPPPX-HNNXBMFYSA-N 1 0 302.334 1.687 50 0 DDAARO Cn1c2ccc(C[N@@H+]3CCC[C@H](CC(N)=O)C3)cc2oc1=O ZINC000225639310 186286423 /nfs/dbraw/zinc/28/64/23/186286423.db2.gz VBAHUVIQTOWZQE-LLVKDONJSA-N 1 0 303.362 1.219 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC000237473703 186294627 /nfs/dbraw/zinc/29/46/27/186294627.db2.gz MEHGFKFEZZFHQN-HANDEYTQSA-N 1 0 301.390 1.385 50 0 DDAARO OCCOCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019607134 352168517 /nfs/dbraw/zinc/16/85/17/352168517.db2.gz NBNAPBMBWIAIOS-UHFFFAOYSA-N 1 0 314.429 1.966 50 0 DDAARO CCOC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000019865055 352169671 /nfs/dbraw/zinc/16/96/71/352169671.db2.gz ZBZVZVMIYOGIPR-AWEZNQCLSA-N 1 0 324.808 1.750 50 0 DDAARO CCOCc1nc2c(c(NCCc3ccco3)n1)CC[NH2+]CC2 ZINC000072421514 191157912 /nfs/dbraw/zinc/15/79/12/191157912.db2.gz 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ZINC000106645919 194240079 /nfs/dbraw/zinc/24/00/79/194240079.db2.gz VJFCWQGVTFKRPB-QEJZJMRPSA-N 1 0 301.390 1.404 50 0 DDAARO CS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000110611023 194342900 /nfs/dbraw/zinc/34/29/00/194342900.db2.gz DEMTVWLWAIOBOX-HZSPNIEDSA-N 1 0 314.499 1.206 50 0 DDAARO COC(=O)[C@@H]1C[C@@H](O)[C@H]([NH+]2CCC(c3nc(C)cs3)CC2)C1 ZINC000110668340 194347918 /nfs/dbraw/zinc/34/79/18/194347918.db2.gz NUULIFSCPNKZOH-BFHYXJOUSA-N 1 0 324.446 1.943 50 0 DDAARO COCC[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 ZINC000058265022 184095874 /nfs/dbraw/zinc/09/58/74/184095874.db2.gz YURLLUVSOHLSLF-UHFFFAOYSA-N 1 0 319.449 1.345 50 0 DDAARO COCC[NH+]1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 ZINC000058323342 184104509 /nfs/dbraw/zinc/10/45/09/184104509.db2.gz MNGLWLPIHHYTDC-ONEGZZNKSA-N 1 0 309.435 1.692 50 0 DDAARO c1cnn(-c2ccc(C[NH2+]Cc3cnc4ccnn4c3)cn2)c1 ZINC000058331353 184106717 /nfs/dbraw/zinc/10/67/17/184106717.db2.gz ZQGXOSIRACESIQ-UHFFFAOYSA-N 1 0 305.345 1.600 50 0 DDAARO Cn1c(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc(=O)n(C)c1=O ZINC000058429410 184116882 /nfs/dbraw/zinc/11/68/82/184116882.db2.gz IRQTXAUIPUGTFH-KBPBESRZSA-N 1 0 307.438 1.779 50 0 DDAARO Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000060555042 184151835 /nfs/dbraw/zinc/15/18/35/184151835.db2.gz QHFFNWNAKHZLNP-CHWSQXEVSA-N 1 0 306.454 1.816 50 0 DDAARO O=C(C[NH2+][C@@H](CO)c1ccccc1)NCCc1ccc(F)cc1 ZINC000065420188 184341489 /nfs/dbraw/zinc/34/14/89/184341489.db2.gz JOWDKTYSWPAIRH-KRWDZBQOSA-N 1 0 316.376 1.808 50 0 DDAARO COc1cc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)nc(OC)n1 ZINC000065406012 184338513 /nfs/dbraw/zinc/33/85/13/184338513.db2.gz PWZDEPNDGXJKAZ-UHFFFAOYSA-N 1 0 320.393 1.052 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@@H]1C[NH3+] ZINC000237556767 296397712 /nfs/dbraw/zinc/39/77/12/296397712.db2.gz CWTSXVDIDMPSCL-PSASIEDQSA-N 1 0 318.830 1.065 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000155503797 197061162 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Cc1cnn(C[C@H]2CCCN2C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000071876988 406859565 /nfs/dbraw/zinc/85/95/65/406859565.db2.gz WGQYTGNOZNNDBB-QZTJIDSGSA-N 1 0 320.481 1.749 50 0 DDAARO Cc1cnn(CC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c1 ZINC000071878751 406859882 /nfs/dbraw/zinc/85/98/82/406859882.db2.gz HMFVAFLVXKPGMF-MRXNPFEDSA-N 1 0 303.410 1.161 50 0 DDAARO O=C(NCc1nc(C2CC2)no1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071882565 406861705 /nfs/dbraw/zinc/86/17/05/406861705.db2.gz ZLSXLKDQQDYBDQ-LBPRGKRZSA-N 1 0 319.409 1.763 50 0 DDAARO CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CCOC3)CCCCC2)CCO1 ZINC000071888880 406862427 /nfs/dbraw/zinc/86/24/27/406862427.db2.gz GUEBPOYBUYEBIH-OAHLLOKOSA-N 1 0 324.465 1.953 50 0 DDAARO COc1ccc(OCC(=O)N2CCOC23CC[NH+](C)CC3)cc1 ZINC000013682997 406866329 /nfs/dbraw/zinc/86/63/29/406866329.db2.gz UNRLOOZWGTVNBK-UHFFFAOYSA-N 1 0 320.389 1.355 50 0 DDAARO COc1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000071910775 406866784 /nfs/dbraw/zinc/86/67/84/406866784.db2.gz 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[NH3+]CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000122703904 407308496 /nfs/dbraw/zinc/30/84/96/407308496.db2.gz KYSDLLLEQOYXFQ-UHFFFAOYSA-N 1 0 300.277 1.472 50 0 DDAARO C[C@H](CNC(=O)c1cccc(N(C)C)c1)N1CCOC[C@@H]1C ZINC000106851903 407363067 /nfs/dbraw/zinc/36/30/67/407363067.db2.gz RJMJQTRGJPEUKV-KGLIPLIRSA-N 1 0 305.422 1.592 50 0 DDAARO O=C1[C@H]2CCCN2C(=O)N1C1CC[NH+](Cc2ccccn2)CC1 ZINC000253630236 407463441 /nfs/dbraw/zinc/46/34/41/407463441.db2.gz OVFIUUJFECWWBQ-OAHLLOKOSA-N 1 0 314.389 1.473 50 0 DDAARO Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000195544567 407465576 /nfs/dbraw/zinc/46/55/76/407465576.db2.gz VKDNCIOAUFETLU-CABZTGNLSA-N 1 0 304.362 1.679 50 0 DDAARO Cn1nccc1CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000185807782 407508956 /nfs/dbraw/zinc/50/89/56/407508956.db2.gz AZSKUKXUUAADIL-UHFFFAOYSA-N 1 0 320.437 1.114 50 0 DDAARO CCC[N@@H+]1CCCN(C(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000170678044 407473953 /nfs/dbraw/zinc/47/39/53/407473953.db2.gz SCCWFAKJUZNODG-KRWDZBQOSA-N 1 0 301.434 1.818 50 0 DDAARO COCC(=O)N1C[C@@H](CF)C2(C1)CC[NH+](CC(C)C)CC2 ZINC000257176754 407481887 /nfs/dbraw/zinc/48/18/87/407481887.db2.gz UPXWMXPMXAKHHT-CQSZACIVSA-N 1 0 300.418 1.799 50 0 DDAARO CC(=O)N1C[C@@H]2CC[N@@H+](CC(C)C)C[C@]2(c2nc(C)no2)C1 ZINC000257180209 407482603 /nfs/dbraw/zinc/48/26/03/407482603.db2.gz DILCEOPUHWPRGM-HOCLYGCPSA-N 1 0 306.410 1.456 50 0 DDAARO COCC(=O)N[C@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000257187100 407483568 /nfs/dbraw/zinc/48/35/68/407483568.db2.gz LIFLYSMLMFWYPG-HNNXBMFYSA-N 1 0 303.406 1.589 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H]1c1ccccn1 ZINC000257184221 407484111 /nfs/dbraw/zinc/48/41/11/407484111.db2.gz IJMGCVWEXZQXEN-GOEBONIOSA-N 1 0 300.406 1.986 50 0 DDAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000215300621 407484060 /nfs/dbraw/zinc/48/40/60/407484060.db2.gz ZYPBDFSNHNQKAV-GOSISDBHSA-N 1 0 321.384 1.960 50 0 DDAARO CSc1ncc(CN(C)C[C@H]2CCC[N@H+](CCO)C2)cn1 ZINC000215614514 407487933 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Cc1cccnc1C(=O)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220359456 407541909 /nfs/dbraw/zinc/54/19/09/407541909.db2.gz GLAOGLIJHIOXKA-UHFFFAOYSA-N 1 0 317.433 1.701 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000229570725 407665379 /nfs/dbraw/zinc/66/53/79/407665379.db2.gz CIVVDJLPHPVMGK-BRWVUGGUSA-N 1 0 308.470 1.823 50 0 DDAARO C[NH2+]C1CCN(C(=O)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000179145090 407737694 /nfs/dbraw/zinc/73/76/94/407737694.db2.gz JKLPTEDZGFABFV-UHFFFAOYSA-N 1 0 313.405 1.708 50 0 DDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000237959821 407856419 /nfs/dbraw/zinc/85/64/19/407856419.db2.gz TYICELMIKXMZJX-NWDGAFQWSA-N 1 0 323.343 1.267 50 0 DDAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000134162608 407887357 /nfs/dbraw/zinc/88/73/57/407887357.db2.gz CPQYWRWITLBHBF-CABCVRRESA-N 1 0 316.467 1.230 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153792143 407900793 /nfs/dbraw/zinc/90/07/93/407900793.db2.gz PSOZQDCODSWNKL-RYUDHWBXSA-N 1 0 310.419 1.221 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C[C@@H](C)[NH2+]1 ZINC000154125187 407977784 /nfs/dbraw/zinc/97/77/84/407977784.db2.gz FEYNBMSCNWKAQA-QHSBEEBCSA-N 1 0 316.401 1.770 50 0 DDAARO COc1ccc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000244852834 407942178 /nfs/dbraw/zinc/94/21/78/407942178.db2.gz UZSXWKMCQZUHSO-OAHLLOKOSA-N 1 0 306.406 1.548 50 0 DDAARO CC(=O)N[C@H]1CCCN(Cc2cc(-c3ccncc3)no2)C1 ZINC000244899577 407943995 /nfs/dbraw/zinc/94/39/95/407943995.db2.gz ZMGODAAVSHPPLE-AWEZNQCLSA-N 1 0 300.362 1.837 50 0 DDAARO COc1ncc(C)cc1NC(=O)NCCN1CCOC(C)(C)C1 ZINC000174984022 408019493 /nfs/dbraw/zinc/01/94/93/408019493.db2.gz SAIZHYHYVXMWEL-UHFFFAOYSA-N 1 0 322.409 1.631 50 0 DDAARO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000151362523 408301194 /nfs/dbraw/zinc/30/11/94/408301194.db2.gz SRCWABFAYRZFRY-HOTGVXAUSA-N 1 0 315.417 1.553 50 0 DDAARO O[C@@H](COc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247754466 408508724 /nfs/dbraw/zinc/50/87/24/408508724.db2.gz YFFWYZOWVGITBT-JKSUJKDBSA-N 1 0 301.390 1.787 50 0 DDAARO OC[C@@]1([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCOC1 ZINC000184178038 408563082 /nfs/dbraw/zinc/56/30/82/408563082.db2.gz FLEDDJVIIMUGKG-SFHVURJKSA-N 1 0 314.385 1.902 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000248126714 408537902 /nfs/dbraw/zinc/53/79/02/408537902.db2.gz LYTNCMCAMBFLGG-JKIFEVAISA-N 1 0 316.401 1.912 50 0 DDAARO CCOc1ccnc(N2CCC[N@H+](CC[C@H]3CCCO3)CC2)n1 ZINC000249485685 408731442 /nfs/dbraw/zinc/73/14/42/408731442.db2.gz UIQCQEVDDHPYHU-OAHLLOKOSA-N 1 0 320.437 1.957 50 0 DDAARO CC(C)COCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000252484791 408796648 /nfs/dbraw/zinc/79/66/48/408796648.db2.gz GHTZFEIJCLRBGQ-AWEZNQCLSA-N 1 0 304.456 1.159 50 0 DDAARO Cc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F ZINC000252666400 408807574 /nfs/dbraw/zinc/80/75/74/408807574.db2.gz BJKHDNAUUGMUQJ-IUODEOHRSA-N 1 0 314.426 1.894 50 0 DDAARO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC(C)C)cc2)C[C@H]1CO ZINC000253399769 408814864 /nfs/dbraw/zinc/81/48/64/408814864.db2.gz DGBSJJGUFJXYKE-DOTOQJQBSA-N 1 0 306.406 1.403 50 0 DDAARO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277554463 408964541 /nfs/dbraw/zinc/96/45/41/408964541.db2.gz MVXOYTQTRIPKOY-CMPLNLGQSA-N 1 0 318.295 1.266 50 0 DDAARO CC(C)(Cc1ccccc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289299172 409244328 /nfs/dbraw/zinc/24/43/28/409244328.db2.gz RYAIDSOKPRYFAJ-QGZVFWFLSA-N 1 0 315.461 1.761 50 0 DDAARO CN1CC[NH+](CCC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000299757679 410607078 /nfs/dbraw/zinc/60/70/78/410607078.db2.gz MGUUBTJNPCJBOR-INIZCTEOSA-N 1 0 319.424 1.779 50 0 DDAARO O=C(CCc1cn[nH]c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299765350 410611438 /nfs/dbraw/zinc/61/14/38/410611438.db2.gz FXFYLLZVJACUIS-OAHLLOKOSA-N 1 0 306.410 1.102 50 0 DDAARO COc1ccc(C(=O)N2CCCC[C@@H]2CCO)c(OCC[NH3+])c1 ZINC000299762867 410612064 /nfs/dbraw/zinc/61/20/64/410612064.db2.gz CNRJMMYYTVQQGT-CYBMUJFWSA-N 1 0 322.405 1.410 50 0 DDAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCCc2ccc(O)cc2)C1 ZINC000299776156 410619774 /nfs/dbraw/zinc/61/97/74/410619774.db2.gz NSZRDBTUJJSHOU-HNNXBMFYSA-N 1 0 305.422 1.077 50 0 DDAARO C[C@H](C(=O)Nc1nccs1)[N@H+](C)CC1(CO)CCOCC1 ZINC000299788488 410627018 /nfs/dbraw/zinc/62/70/18/410627018.db2.gz TZOOQLUITVNMHS-LLVKDONJSA-N 1 0 313.423 1.191 50 0 DDAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)c2cc(C)nn2C)c1 ZINC000299786268 410628084 /nfs/dbraw/zinc/62/80/84/410628084.db2.gz JFLMAGLATDAYQA-UHFFFAOYSA-N 1 0 302.334 1.226 50 0 DDAARO Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)[nH]1 ZINC000299790295 410630806 /nfs/dbraw/zinc/63/08/06/410630806.db2.gz BALQHMNNSJVZND-NSHDSACASA-N 1 0 317.393 1.640 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)CCCN2c3ccccc3CCC2=O)C1 ZINC000132434642 196255548 /nfs/dbraw/zinc/25/55/48/196255548.db2.gz LAUTZISPMFGOEW-CQSZACIVSA-N 1 0 301.390 1.306 50 0 DDAARO CC(=O)NC1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000132506378 196261613 /nfs/dbraw/zinc/26/16/13/196261613.db2.gz FHYATGPHANROAV-UHFFFAOYSA-N 1 0 313.405 1.804 50 0 DDAARO O=S(=O)(CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000047497055 418457028 /nfs/dbraw/zinc/45/70/28/418457028.db2.gz VXLOFIWVMSDWJW-UHFFFAOYSA-N 1 0 308.447 1.775 50 0 DDAARO Cc1ncc(CN2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1C ZINC000216200209 418560099 /nfs/dbraw/zinc/56/00/99/418560099.db2.gz RVVLYHBPYCOKMJ-OAHLLOKOSA-N 1 0 306.454 1.397 50 0 DDAARO CN(CC(=O)N[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000223017883 418562946 /nfs/dbraw/zinc/56/29/46/418562946.db2.gz UOZWOBYHVUNGTM-QGZVFWFLSA-N 1 0 315.461 1.686 50 0 DDAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc[n+]2[O-])C1 ZINC000241435155 222211643 /nfs/dbraw/zinc/21/16/43/222211643.db2.gz NLEPZGDLINVLAU-GOEBONIOSA-N 1 0 311.385 1.885 50 0 DDAARO CC(C)[C@H]1C=CCN1C(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000243932133 222213443 /nfs/dbraw/zinc/21/34/43/222213443.db2.gz BTFXZLQJUHROJX-VNHYZAJKSA-N 1 0 303.410 1.757 50 0 DDAARO C[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1C(N)=O ZINC000408473959 418805049 /nfs/dbraw/zinc/80/50/49/418805049.db2.gz VRWGUSXKYRIBNY-VXGBXAGGSA-N 1 0 319.430 1.179 50 0 DDAARO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCCOC1 ZINC000408517088 418807066 /nfs/dbraw/zinc/80/70/66/418807066.db2.gz RXCNRNITEMMRCS-ZBFHGGJFSA-N 1 0 304.390 1.618 50 0 DDAARO CC(C)(C(N)=O)N1CCN(Cc2nsc3ccccc32)CC1 ZINC000408525514 418808751 /nfs/dbraw/zinc/80/87/51/418808751.db2.gz PFLMHVUCORABHL-UHFFFAOYSA-N 1 0 318.446 1.678 50 0 DDAARO C[C@@H]([NH2+]CCON1C(=O)c2ccccc2C1=O)[C@H]1CCCOC1 ZINC000408524656 418809081 /nfs/dbraw/zinc/80/90/81/418809081.db2.gz XDPUBCPGMXGIEO-OLZOCXBDSA-N 1 0 318.373 1.619 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 ZINC000426501764 419492269 /nfs/dbraw/zinc/49/22/69/419492269.db2.gz MSPRILMEUGMCOO-KBPBESRZSA-N 1 0 309.414 1.693 50 0 DDAARO C[C@H](C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000426423103 419468753 /nfs/dbraw/zinc/46/87/53/419468753.db2.gz RIPGQLPGEMCJTG-OAHLLOKOSA-N 1 0 324.428 1.756 50 0 DDAARO O=C(NCc1ccccn1)NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000426369826 228563705 /nfs/dbraw/zinc/56/37/05/228563705.db2.gz ATZNAVDCDKXCBX-OAHLLOKOSA-N 1 0 306.410 1.118 50 0 DDAARO COc1ccc(C(=O)NCC[C@H]2CCOC2)cc1OCC[NH3+] ZINC000426715808 419538634 /nfs/dbraw/zinc/53/86/34/419538634.db2.gz CEESDFYTKLCDFE-LBPRGKRZSA-N 1 0 308.378 1.189 50 0 DDAARO Cc1nc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)cc(=O)[nH]1 ZINC000426530414 419497873 /nfs/dbraw/zinc/49/78/73/419497873.db2.gz KXRMYZOBCHIGED-JTQLQIEISA-N 1 0 320.422 1.378 50 0 DDAARO CN(C)c1ncc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000449669958 421053705 /nfs/dbraw/zinc/05/37/05/421053705.db2.gz INAJBLFDKAQFNI-SCZZXKLOSA-N 1 0 309.357 1.954 50 0 DDAARO C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)Oc1cccc(F)c1 ZINC000585132190 422310669 /nfs/dbraw/zinc/31/06/69/422310669.db2.gz QGOFABHFQCICJV-IVMMDQJWSA-N 1 0 322.380 1.572 50 0 DDAARO CC(C)=CCO[C@H]1CCOC[C@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000223492498 275868226 /nfs/dbraw/zinc/86/82/26/275868226.db2.gz OTOWDIAFQGFPIP-SJORKVTESA-N 1 0 310.438 1.727 50 0 DDAARO CCS(=O)(=O)NCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000253370540 280021306 /nfs/dbraw/zinc/02/13/06/280021306.db2.gz SFMUYFKNMBJQIL-JHJVBQTASA-N 1 0 304.456 1.109 50 0 DDAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]n1 ZINC000067846967 280349617 /nfs/dbraw/zinc/34/96/17/280349617.db2.gz UUVPDYWCGGCTQX-AWEZNQCLSA-N 1 0 313.405 1.755 50 0 DDAARO CC(=O)N1CCc2cc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)ccc21 ZINC000131856253 281431588 /nfs/dbraw/zinc/43/15/88/281431588.db2.gz PMGYXSGCPODRDJ-RYUDHWBXSA-N 1 0 301.390 1.418 50 0 DDAARO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000328598925 288341477 /nfs/dbraw/zinc/34/14/77/288341477.db2.gz PBGAHPNJNWUWAL-YPMHNXCESA-N 1 0 310.360 1.485 50 0 DDAARO COc1ccc(C2(C(=O)N3CCO[C@H](CC[NH3+])C3)CC2)cc1 ZINC000223654896 295111768 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CC(=O)N[C@H]1CCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000820576827 758113054 /nfs/dbraw/zinc/11/30/54/758113054.db2.gz JCDUFZIQRKHHOL-INIZCTEOSA-N 1 0 321.465 1.912 50 0 DDAARO CC[C@@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)[N@H+](C)CC ZINC000822549886 758221705 /nfs/dbraw/zinc/22/17/05/758221705.db2.gz UZVGBTZOHGQMCJ-ZDUSSCGKSA-N 1 0 323.462 1.763 50 0 DDAARO Cc1ncn(CCNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)c1C ZINC000823789453 758362186 /nfs/dbraw/zinc/36/21/86/758362186.db2.gz RPPSFTMWKAWRIY-AWEZNQCLSA-N 1 0 321.469 1.032 50 0 DDAARO CC(C)[NH+]1CCC2(CC1)C[C@@H](CC(=O)N1CCOCC1)CCO2 ZINC000581786162 761703332 /nfs/dbraw/zinc/70/33/32/761703332.db2.gz OZWBUKRJPBVRJW-MRXNPFEDSA-N 1 0 324.465 1.905 50 0 DDAARO COc1cccc(CC(=O)NC[C@@H]2Cn3cccc3CN2C)c1 ZINC000581793805 761711762 /nfs/dbraw/zinc/71/17/62/761711762.db2.gz BYYAJZKSVYTBGU-MRXNPFEDSA-N 1 0 313.401 1.670 50 0 DDAARO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COC[C@@H]1CCCO1 ZINC000585126243 771958205 /nfs/dbraw/zinc/95/82/05/771958205.db2.gz 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201704799 /nfs/dbraw/zinc/70/47/99/201704799.db2.gz MGWAMTIKLSECEC-YMAMQOFZSA-N 1 0 304.390 1.863 50 0 DDAARO Cn1cc(/C=C\C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000096794623 185388501 /nfs/dbraw/zinc/38/85/01/185388501.db2.gz YXISSXHPMZMUDW-FPLPWBNLSA-N 1 0 324.428 1.820 50 0 DDAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cc[nH]n3)C2)c1 ZINC000078996563 185143135 /nfs/dbraw/zinc/14/31/35/185143135.db2.gz WGFHSFMJISZWDT-ZDUSSCGKSA-N 1 0 302.378 1.795 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2ccncc2)CC1 ZINC000079050216 185149444 /nfs/dbraw/zinc/14/94/44/185149444.db2.gz IEVWAICDCANVLB-RGDDUWESSA-N 1 0 302.422 1.237 50 0 DDAARO CCc1c(C)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000096839836 185389189 /nfs/dbraw/zinc/38/91/89/185389189.db2.gz ITVQXHAHERHVOX-UHFFFAOYSA-N 1 0 312.417 1.963 50 0 DDAARO CC[N@@H+](Cc1cccc(OCC(N)=O)c1)C[C@@H]1CCCCO1 ZINC000215724397 539264270 /nfs/dbraw/zinc/26/42/70/539264270.db2.gz OGFNMGSPQWKUMC-INIZCTEOSA-N 1 0 306.406 1.942 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000255014495 282225976 /nfs/dbraw/zinc/22/59/76/282225976.db2.gz VWVWXFDRZQNWFB-PODYEWJSSA-N 1 0 301.390 1.127 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cnc(-c2ccccc2)s1 ZINC000082098067 192355150 /nfs/dbraw/zinc/35/51/50/192355150.db2.gz FFECSLHMCKEHIA-OCCSQVGLSA-N 1 0 316.430 1.458 50 0 DDAARO CC(C)c1cc(N2CCC3(CC2)OCCC[C@@H]3O)nc(N)[nH+]1 ZINC000095389169 185351222 /nfs/dbraw/zinc/35/12/22/185351222.db2.gz DQLAMIIFYRLIDS-ZDUSSCGKSA-N 1 0 306.410 1.693 50 0 DDAARO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)no1 ZINC000095402656 185354971 /nfs/dbraw/zinc/35/49/71/185354971.db2.gz YQZHYKIJGRZGJJ-STQMWFEESA-N 1 0 323.441 1.176 50 0 DDAARO OCC(CO)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000585089147 539556082 /nfs/dbraw/zinc/55/60/82/539556082.db2.gz JCFRETPIFCRIFF-UHFFFAOYSA-N 1 0 323.339 1.987 50 0 DDAARO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1ccon1)C2 ZINC000685942148 539566686 /nfs/dbraw/zinc/56/66/86/539566686.db2.gz NRYPXTUPNNRFCG-TXCZRRACSA-N 1 0 321.421 1.203 50 0 DDAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@H](CO)C1 ZINC000080545708 192165611 /nfs/dbraw/zinc/16/56/11/192165611.db2.gz YQOILBDJBCIBTJ-JKSUJKDBSA-N 1 0 309.454 1.665 50 0 DDAARO CCCn1nccc1C(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1 ZINC000072163448 191063558 /nfs/dbraw/zinc/06/35/58/191063558.db2.gz FZFYZXIXBWQERP-OAHLLOKOSA-N 1 0 321.469 1.391 50 0 DDAARO CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000072170477 191068421 /nfs/dbraw/zinc/06/84/21/191068421.db2.gz UFTVQJJLGIVHAI-INIZCTEOSA-N 1 0 302.418 1.675 50 0 DDAARO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2ccccc2O)CC1 ZINC000072286649 191105783 /nfs/dbraw/zinc/10/57/83/191105783.db2.gz AXLIHSYEZHYYKK-OAHLLOKOSA-N 1 0 306.406 1.144 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c2cnn(C)c2n1 ZINC000237495667 186297110 /nfs/dbraw/zinc/29/71/10/186297110.db2.gz WRHCWXVYKWPRBN-NWDGAFQWSA-N 1 0 301.394 1.476 50 0 DDAARO COC(=O)c1cn(CC[NH+](C(C)C)C(C)C)cc2c(=O)[nH]nc1-2 ZINC000253412812 186309837 /nfs/dbraw/zinc/30/98/37/186309837.db2.gz SCUGKZAHGAJNDJ-UHFFFAOYSA-N 1 0 320.393 1.582 50 0 DDAARO C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072474052 191177837 /nfs/dbraw/zinc/17/78/37/191177837.db2.gz SAQCSUTXQHQMMH-HOTGVXAUSA-N 1 0 302.418 1.919 50 0 DDAARO O=C(CCc1ccccc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072268936 353195698 /nfs/dbraw/zinc/19/56/98/353195698.db2.gz YQYDADMVZMNLIX-SJORKVTESA-N 1 0 320.408 1.816 50 0 DDAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCc3ccncc3)C2)no1 ZINC000076047302 353393496 /nfs/dbraw/zinc/39/34/96/353393496.db2.gz AYZUGIQJVZMNRX-OAHLLOKOSA-N 1 0 301.394 1.522 50 0 DDAARO C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1[NH+](C)C ZINC000078894491 353537632 /nfs/dbraw/zinc/53/76/32/353537632.db2.gz HWRNCRDFFIDYSY-WCQYABFASA-N 1 0 300.358 1.815 50 0 DDAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C2)no1 ZINC000078891020 353537691 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CCn1cc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2OC)c2ccccc21 ZINC000195554091 354296894 /nfs/dbraw/zinc/29/68/94/354296894.db2.gz KULGZQPDDQOFNC-ZBFHGGJFSA-N 1 0 301.390 1.307 50 0 DDAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@@H]2C)CC1 ZINC000299754235 354457292 /nfs/dbraw/zinc/45/72/92/354457292.db2.gz BFZXORIPESDPIG-RYQLBKOJSA-N 1 0 305.466 1.970 50 0 DDAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(N)=O ZINC000004758211 181149143 /nfs/dbraw/zinc/14/91/43/181149143.db2.gz KOSVOBJYZJRABS-UHFFFAOYSA-N 1 0 301.346 1.244 50 0 DDAARO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C2)c1 ZINC000237213019 202192091 /nfs/dbraw/zinc/19/20/91/202192091.db2.gz XBIDYOJMTOTPIZ-LRDDRELGSA-N 1 0 321.421 1.382 50 0 DDAARO CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000237247459 202203205 /nfs/dbraw/zinc/20/32/05/202203205.db2.gz AJNCQHKCRKUIGC-OAHLLOKOSA-N 1 0 323.356 1.790 50 0 DDAARO O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000187500849 200120988 /nfs/dbraw/zinc/12/09/88/200120988.db2.gz AJVBFJRISGFGEQ-UKRRQHHQSA-N 1 0 308.809 1.862 50 0 DDAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)C(C)(C)[NH3+])C[C@H](C)O1 ZINC000237684216 202326650 /nfs/dbraw/zinc/32/66/50/202326650.db2.gz CGNZTHPYPGBFBQ-OKILXGFUSA-N 1 0 319.449 1.649 50 0 DDAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2F)n1 ZINC000237682308 202326683 /nfs/dbraw/zinc/32/66/83/202326683.db2.gz NGTXFIJMGVOAJX-UHFFFAOYSA-N 1 0 302.353 1.674 50 0 DDAARO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC1([NH3+])CCC1 ZINC000237677545 202326992 /nfs/dbraw/zinc/32/69/92/202326992.db2.gz PPBADTVLZOKZOT-HNNXBMFYSA-N 1 0 301.434 1.991 50 0 DDAARO Cn1c(CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000237850197 202370281 /nfs/dbraw/zinc/37/02/81/202370281.db2.gz KVPZIFVJXYHWGJ-ZDUSSCGKSA-N 1 0 312.417 1.622 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000063194276 296024290 /nfs/dbraw/zinc/02/42/90/296024290.db2.gz BFVAMRPEMDJTHS-RNCFNFMXSA-N 1 0 304.362 1.855 50 0 DDAARO COc1cccc(NC(=O)C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000006587228 181357706 /nfs/dbraw/zinc/35/77/06/181357706.db2.gz KHFLNGBODYTAEP-MRXNPFEDSA-N 1 0 300.358 1.957 50 0 DDAARO COCC[C@]1(O)CC[N@H+](CCCn2nc(C)cc2C)C[C@H]1C ZINC000091468784 193060034 /nfs/dbraw/zinc/06/00/34/193060034.db2.gz LQOQZOBEJJFHSD-RHSMWYFYSA-N 1 0 309.454 1.999 50 0 DDAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCn1nnc2ccccc21 ZINC000091725615 193097590 /nfs/dbraw/zinc/09/75/90/193097590.db2.gz SXGHOOOVDDHJFN-INIZCTEOSA-N 1 0 315.421 1.812 50 0 DDAARO Cn1cc(CCCNc2cc(C3CC([NH3+])C3)nc(N)n2)cn1 ZINC000222450757 201611577 /nfs/dbraw/zinc/61/15/77/201611577.db2.gz NHJHSIQJIZWXLP-UHFFFAOYSA-N 1 0 301.398 1.042 50 0 DDAARO CCN(C(=O)CC[N@H+](C)C[C@@H]1COCCO1)c1ccccc1 ZINC000252510242 284144557 /nfs/dbraw/zinc/14/45/57/284144557.db2.gz ZFGXHQVXIOLFKR-MRXNPFEDSA-N 1 0 306.406 1.777 50 0 DDAARO COCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095379192 193439227 /nfs/dbraw/zinc/43/92/27/193439227.db2.gz IDBPRMFVYVERGB-CGTJXYLNSA-N 1 0 316.401 1.427 50 0 DDAARO Cn1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1=O ZINC000095954483 193457851 /nfs/dbraw/zinc/45/78/51/193457851.db2.gz YDIVMAWAJNJGFB-MRXNPFEDSA-N 1 0 313.401 1.288 50 0 DDAARO COc1ccc2c(c1)C[C@H](NC(=O)NCC[NH+]1CCCC1)CO2 ZINC000015820896 182018913 /nfs/dbraw/zinc/01/89/13/182018913.db2.gz CAAIRSJXLRWBLO-AWEZNQCLSA-N 1 0 319.405 1.394 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(c2nc(CCN3CCCC3=O)no2)C1 ZINC000019774621 182146076 /nfs/dbraw/zinc/14/60/76/182146076.db2.gz UIXDMLPTJCOAJD-MRXNPFEDSA-N 1 0 306.410 1.608 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)c1cccc(F)c1 ZINC000022682237 182330385 /nfs/dbraw/zinc/33/03/85/182330385.db2.gz MMNPUJRTMKVVOQ-CYBMUJFWSA-N 1 0 304.325 1.354 50 0 DDAARO C[C@@H](CNC(=O)NCc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000023247158 182354450 /nfs/dbraw/zinc/35/44/50/182354450.db2.gz YNGQNAWBIXPAMA-ZDUSSCGKSA-N 1 0 308.401 1.261 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000023127924 182349461 /nfs/dbraw/zinc/34/94/61/182349461.db2.gz CETNQONDIMAZSY-UHFFFAOYSA-N 1 0 308.397 1.843 50 0 DDAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000037032271 182862577 /nfs/dbraw/zinc/86/25/77/182862577.db2.gz SGYUJGDDELVTQA-UWJYBYFXSA-N 1 0 302.296 1.605 50 0 DDAARO C[NH+](C)CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000039515908 183019602 /nfs/dbraw/zinc/01/96/02/183019602.db2.gz JTVMXYYJSLWMAJ-CYBMUJFWSA-N 1 0 321.377 1.600 50 0 DDAARO C[C@@H](CNC(=O)CCn1c2ccccc2oc1=O)[NH+]1CCCC1 ZINC000040522562 183091497 /nfs/dbraw/zinc/09/14/97/183091497.db2.gz QDTDNUCPRYRHGV-ZDUSSCGKSA-N 1 0 317.389 1.585 50 0 DDAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)NC(N)=O)C2CC2)o1 ZINC000042145863 183235649 /nfs/dbraw/zinc/23/56/49/183235649.db2.gz RHBJQULRWLKGKM-MFKMUULPSA-N 1 0 305.378 1.952 50 0 DDAARO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n(C)n1 ZINC000043434705 183363151 /nfs/dbraw/zinc/36/31/51/183363151.db2.gz DDKDDOJOOYAMJF-CYBMUJFWSA-N 1 0 309.414 1.207 50 0 DDAARO CCc1cccc(NC(=O)N2CCN3CC[N@H+](C)C[C@H]3C2)c1 ZINC000106274006 194193598 /nfs/dbraw/zinc/19/35/98/194193598.db2.gz IDBYABUSAWAWOH-INIZCTEOSA-N 1 0 302.422 1.713 50 0 DDAARO C[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000049993059 183767020 /nfs/dbraw/zinc/76/70/20/183767020.db2.gz JISAQFLGTXJOKW-CVEARBPZSA-N 1 0 321.852 1.807 50 0 DDAARO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058315684 184104631 /nfs/dbraw/zinc/10/46/31/184104631.db2.gz PZORKAFMAAMXIL-PWSUYJOCSA-N 1 0 318.352 1.929 50 0 DDAARO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000058404737 184113591 /nfs/dbraw/zinc/11/35/91/184113591.db2.gz IFWLZQDQXRRHHD-HNNXBMFYSA-N 1 0 308.447 1.938 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000065414406 184340529 /nfs/dbraw/zinc/34/05/29/184340529.db2.gz VEEHZSSEUOMSDS-LBPRGKRZSA-N 1 0 307.369 1.247 50 0 DDAARO C[N@H+](CCNC(=O)c1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000065414410 184340955 /nfs/dbraw/zinc/34/09/55/184340955.db2.gz WDPNZFFVYPQWAY-UHFFFAOYSA-N 1 0 302.353 1.835 50 0 DDAARO CCc1nc(CN(C)c2nc(CC[NH3+])nc3ccccc32)no1 ZINC000065417607 184341283 /nfs/dbraw/zinc/34/12/83/184341283.db2.gz ABMHCMMJMDVGAT-UHFFFAOYSA-N 1 0 312.377 1.713 50 0 DDAARO O=C(C[NH2+]Cc1ccc2c(c1)OCCCO2)Nc1cnccn1 ZINC000065465793 184350133 /nfs/dbraw/zinc/35/01/33/184350133.db2.gz YDJYBIXPABHAMB-UHFFFAOYSA-N 1 0 314.345 1.366 50 0 DDAARO C[N@@H+]1CCC[C@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000065549011 184364561 /nfs/dbraw/zinc/36/45/61/184364561.db2.gz WUGFSUHKNXQHRX-QMMMGPOBSA-N 1 0 300.288 1.649 50 0 DDAARO CCOc1ccccc1NC(=O)N1C[C@H]([NH+](C)C)C[C@H]1CO ZINC000065508997 184357665 /nfs/dbraw/zinc/35/76/65/184357665.db2.gz IAQRDILBZPOYMA-OLZOCXBDSA-N 1 0 307.394 1.614 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)CCOCc2ccccc2)C1 ZINC000065626167 184375471 /nfs/dbraw/zinc/37/54/71/184375471.db2.gz PMBDETQCUZASBP-KRWDZBQOSA-N 1 0 320.433 1.678 50 0 DDAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000069562498 184525866 /nfs/dbraw/zinc/52/58/66/184525866.db2.gz 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406740334 /nfs/dbraw/zinc/74/03/34/406740334.db2.gz XWIHWMJMXFJNAU-CYBMUJFWSA-N 1 0 306.435 1.590 50 0 DDAARO COc1ccc(OC)c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000069667768 406753994 /nfs/dbraw/zinc/75/39/94/406753994.db2.gz CALKSFFNPQCLMC-MRXNPFEDSA-N 1 0 306.406 1.657 50 0 DDAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000069416026 406709335 /nfs/dbraw/zinc/70/93/35/406709335.db2.gz FIISJEGLUMOVPM-MNOVXSKESA-N 1 0 309.797 1.864 50 0 DDAARO CN(C)C(=O)CC[N@H+](Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000069456129 406714313 /nfs/dbraw/zinc/71/43/13/406714313.db2.gz MNOHJBFBBODUNG-UHFFFAOYSA-N 1 0 320.433 1.976 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CC2 ZINC000069809968 406773370 /nfs/dbraw/zinc/77/33/70/406773370.db2.gz QCVPTHCUYQTGQL-CQSZACIVSA-N 1 0 309.377 1.272 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000069808920 406773806 /nfs/dbraw/zinc/77/38/06/406773806.db2.gz CLXPBPUQIMALMA-AWEZNQCLSA-N 1 0 314.433 1.924 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000069809382 406774939 /nfs/dbraw/zinc/77/49/39/406774939.db2.gz VQUANSIYYFXONN-LBPRGKRZSA-N 1 0 314.389 1.527 50 0 DDAARO Cc1c(C)n(CC[NH+](C)C)c2ncn(Cc3ccccn3)c(=N)c12 ZINC000008993484 406800550 /nfs/dbraw/zinc/80/05/50/406800550.db2.gz LVBDRCGQOUQJSG-UHFFFAOYSA-N 1 0 324.432 1.939 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)CC2 ZINC000069952181 406796037 /nfs/dbraw/zinc/79/60/37/406796037.db2.gz AVQWUGKAFZMDBC-RISCZKNCSA-N 1 0 308.332 1.503 50 0 DDAARO Cc1cc(N(C)C)nc(N2CCC[C@H](Cn3cncn3)C2)[nH+]1 ZINC000069966682 406797207 /nfs/dbraw/zinc/79/72/07/406797207.db2.gz LKTBPADGSYLTEI-ZDUSSCGKSA-N 1 0 301.398 1.359 50 0 DDAARO CC(C)CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864315 406797548 /nfs/dbraw/zinc/79/75/48/406797548.db2.gz XMQQXKSOEWZXLH-CQSZACIVSA-N 1 0 323.462 1.773 50 0 DDAARO CN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828222 406848708 /nfs/dbraw/zinc/84/87/08/406848708.db2.gz MTIWUJIHOHUTSK-CQSZACIVSA-N 1 0 314.389 1.989 50 0 DDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]CC1CC1 ZINC000012757764 406851185 /nfs/dbraw/zinc/85/11/85/406851185.db2.gz XQPOQPWPQWWPOR-KRWDZBQOSA-N 1 0 324.371 1.818 50 0 DDAARO C[NH+]1CCN(c2ccc(F)cc2NC(=O)N2CCOCC2)CC1 ZINC000071857140 406853483 /nfs/dbraw/zinc/85/34/83/406853483.db2.gz NTMBUNRORRIDAP-UHFFFAOYSA-N 1 0 322.384 1.442 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2nccn2CC(F)(F)F)C[C@H]1C ZINC000071864630 406854943 /nfs/dbraw/zinc/85/49/43/406854943.db2.gz ZVUSLHSJAQLBAI-VXGBXAGGSA-N 1 0 320.359 1.332 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)NCCc1cccs1 ZINC000071875495 406857491 /nfs/dbraw/zinc/85/74/91/406857491.db2.gz ZVJQAYGFEGYBSU-AWEZNQCLSA-N 1 0 318.446 1.768 50 0 DDAARO Cc1nn(C)c(Cl)c1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000071877512 406860016 /nfs/dbraw/zinc/86/00/16/406860016.db2.gz HYKNQHVRCMNXCF-GHMZBOCLSA-N 1 0 300.834 1.269 50 0 DDAARO Cc1ccc(O)c(C[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000071877284 406860118 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CC(C)CC[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000170603046 407448878 /nfs/dbraw/zinc/44/88/78/407448878.db2.gz KXUDHPOHPSLVES-UHFFFAOYSA-N 1 0 301.394 1.762 50 0 DDAARO COC(=O)c1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cn1C ZINC000253431705 407449646 /nfs/dbraw/zinc/44/96/46/407449646.db2.gz XDNFTVITKJWJGN-JKSUJKDBSA-N 1 0 300.358 1.560 50 0 DDAARO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(n2cncn2)CC1 ZINC000170611924 407454183 /nfs/dbraw/zinc/45/41/83/407454183.db2.gz MKNAJJPGZTZEOB-MRXNPFEDSA-N 1 0 311.389 1.869 50 0 DDAARO COc1cc(C)c(CN(C)C(=O)C2CC[NH2+]CC2)cc1OC ZINC000151585902 407461698 /nfs/dbraw/zinc/46/16/98/407461698.db2.gz IIODJQXLJSUCAK-UHFFFAOYSA-N 1 0 306.406 1.970 50 0 DDAARO Cc1n[nH]cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178736958 407572600 /nfs/dbraw/zinc/57/26/00/407572600.db2.gz DLFRHFCHNULHSE-HUUCEWRRSA-N 1 0 306.410 1.216 50 0 DDAARO Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1F ZINC000225489656 407589715 /nfs/dbraw/zinc/58/97/15/407589715.db2.gz 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CSCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)o1 ZINC000091269616 525726726 /nfs/dbraw/zinc/72/67/26/525726726.db2.gz ZBEGTOFLCJWSMC-VXGBXAGGSA-N 1 0 312.435 1.385 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1S(C)(=O)=O ZINC000156707446 526095397 /nfs/dbraw/zinc/09/53/97/526095397.db2.gz PKXRQLQWKHGOQX-RISCZKNCSA-N 1 0 324.446 1.598 50 0 DDAARO C=Cn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cn1 ZINC000328587998 526280764 /nfs/dbraw/zinc/28/07/64/526280764.db2.gz LHSYBYMRLFWJTL-HZPDHXFCSA-N 1 0 301.394 1.805 50 0 DDAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ncnn2CC(C)C)C12CCOCC2 ZINC000328586823 527945820 /nfs/dbraw/zinc/94/58/20/527945820.db2.gz LIGYCRFYIKOIOQ-LSDHHAIUSA-N 1 0 322.453 1.998 50 0 DDAARO CC(C)=CC[N@H+]1CCc2nnc(CCNC(=O)C(C)C)n2CC1 ZINC000012163573 696048640 /nfs/dbraw/zinc/04/86/40/696048640.db2.gz DVRAEFDMGXRSFA-UHFFFAOYSA-N 1 0 319.453 1.417 50 0 DDAARO CN(Cc1cn(C[C@@H]2CCC[NH2+]C2)nn1)Cc1cccnc1 ZINC000023368589 696082829 /nfs/dbraw/zinc/08/28/29/696082829.db2.gz 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706106096 /nfs/dbraw/zinc/10/60/96/706106096.db2.gz YPTHBZNLZKYDFT-CQSZACIVSA-N 1 0 308.378 1.748 50 0 DDAARO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(C)(C)CO)CC2)C1 ZINC000887268059 709002306 /nfs/dbraw/zinc/00/23/06/709002306.db2.gz AWFIJLZBSSECJK-OAHLLOKOSA-N 1 0 311.470 1.024 50 0 DDAARO CC[C@H]1C(=O)NCC[N@H+]1CCCCCNC(=O)OC(C)(C)C ZINC000888101233 709213748 /nfs/dbraw/zinc/21/37/48/709213748.db2.gz WKTHTFOIECSYSR-ZDUSSCGKSA-N 1 0 313.442 1.892 50 0 DDAARO CC1(C[NH2+]C[C@H](c2ccccn2)N2CCOCC2)CCOCC1 ZINC000952971328 721529654 /nfs/dbraw/zinc/52/96/54/721529654.db2.gz NJJKWTJGUCMVNC-QGZVFWFLSA-N 1 0 319.449 1.861 50 0 DDAARO CNC(=O)[C@H]1CCN(C(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952973156 721530029 /nfs/dbraw/zinc/53/00/29/721530029.db2.gz KNRZDTKXMRRMMX-AWEZNQCLSA-N 1 0 307.438 1.380 50 0 DDAARO CCCn1cc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000823033131 758265562 /nfs/dbraw/zinc/26/55/62/758265562.db2.gz QYJNAEYQEJCLMQ-INIZCTEOSA-N 1 0 305.426 1.578 50 0 DDAARO CC[NH+]1CCN(Cc2ncnn2-c2ccc(F)cc2F)CC1 ZINC000823116985 758268823 /nfs/dbraw/zinc/26/88/23/758268823.db2.gz XIZVJCGOGXHCJJ-UHFFFAOYSA-N 1 0 307.348 1.683 50 0 DDAARO CNC(=O)CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823819807 758358615 /nfs/dbraw/zinc/35/86/15/758358615.db2.gz FDFKSUXKKZKCBY-UHFFFAOYSA-N 1 0 319.405 1.624 50 0 DDAARO O=C1N(CC[NH2+]Cc2cccc3c2OCO3)C[C@H]2CCCCN12 ZINC000585116750 771949798 /nfs/dbraw/zinc/94/97/98/771949798.db2.gz HFTNWRMBDNNQGH-CQSZACIVSA-N 1 0 317.389 1.795 50 0 DDAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)C(C)(C)O ZINC000585121727 771953071 /nfs/dbraw/zinc/95/30/71/771953071.db2.gz XLWOYNGHDOFLAW-GOEBONIOSA-N 1 0 320.433 1.241 50 0 DDAARO COCC[C@H]1[C@H]([NH2+]Cc2ccnn2C)CN1C(=O)OC(C)(C)C ZINC000952877767 775628471 /nfs/dbraw/zinc/62/84/71/775628471.db2.gz VHAIITYLPCFZGP-KGLIPLIRSA-N 1 0 324.425 1.534 50 0 DDAARO CCC[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@H]1[NH+](C)C ZINC000095508561 185375978 /nfs/dbraw/zinc/37/59/78/185375978.db2.gz CXOINKWHTVFOQU-IAGOWNOFSA-N 1 0 304.434 1.910 50 0 DDAARO C[N@H+](CCC(=O)NC(N)=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000078969241 185137600 /nfs/dbraw/zinc/13/76/00/185137600.db2.gz ZDZYOZNVWKZLSE-CQSZACIVSA-N 1 0 304.394 1.172 50 0 DDAARO O=C(CSc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000079018912 185146881 /nfs/dbraw/zinc/14/68/81/185146881.db2.gz PSBVGMODCXITMS-OAHLLOKOSA-N 1 0 320.458 1.959 50 0 DDAARO Nc1nc(NCc2ccc3c(c2)CCO3)cc(C2CC([NH3+])C2)n1 ZINC000220709499 539265030 /nfs/dbraw/zinc/26/50/30/539265030.db2.gz CGAXWPGUELWLQA-UHFFFAOYSA-N 1 0 311.389 1.811 50 0 DDAARO NS(=O)(=O)CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000089991726 185275285 /nfs/dbraw/zinc/27/52/85/185275285.db2.gz RVLUNARBVXDYER-UHFFFAOYSA-N 1 0 314.476 1.779 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000255014494 282226014 /nfs/dbraw/zinc/22/60/14/282226014.db2.gz VWVWXFDRZQNWFB-BMWLXYDHSA-N 1 0 301.390 1.127 50 0 DDAARO CC(C)=CC[NH+]1CCC(NC(=O)c2nccn3ccnc23)CC1 ZINC000095404256 185355231 /nfs/dbraw/zinc/35/52/31/185355231.db2.gz NDWXUJXQGOPXEJ-UHFFFAOYSA-N 1 0 313.405 1.890 50 0 DDAARO C[C@@H](C(=O)NCCCC(=O)Nc1cn[nH]c1)[NH+]1CCCCCC1 ZINC000095404282 185355235 /nfs/dbraw/zinc/35/52/35/185355235.db2.gz MLDQGPUMMYHUED-ZDUSSCGKSA-N 1 0 321.425 1.509 50 0 DDAARO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000095426475 185361820 /nfs/dbraw/zinc/36/18/20/185361820.db2.gz XPNGRSWNBGIADH-INIZCTEOSA-N 1 0 317.433 1.793 50 0 DDAARO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000095432102 185363354 /nfs/dbraw/zinc/36/33/54/185363354.db2.gz XZLIJFVMMLUFQU-CYBMUJFWSA-N 1 0 319.858 1.918 50 0 DDAARO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@H](Cn3cncn3)C2)C1 ZINC000095444054 185367130 /nfs/dbraw/zinc/36/71/30/185367130.db2.gz PFFRJPCJPZWPPZ-KBPBESRZSA-N 1 0 320.393 1.226 50 0 DDAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC000095440132 185366039 /nfs/dbraw/zinc/36/60/39/185366039.db2.gz VQTDNQVAMWXROC-ZDUSSCGKSA-N 1 0 306.454 1.891 50 0 DDAARO O=C(OC1CCN(c2ccncn2)CC1)c1ccn2c[nH+]cc2c1 ZINC000095463451 185371124 /nfs/dbraw/zinc/37/11/24/185371124.db2.gz GBXOTDSDAHHAIR-UHFFFAOYSA-N 1 0 323.356 1.950 50 0 DDAARO Cn1cc(C[NH2+]CCCN2CCCC2=O)c(-c2cccnc2)n1 ZINC000097159743 185417458 /nfs/dbraw/zinc/41/74/58/185417458.db2.gz JTMHSOQSMGYZOD-UHFFFAOYSA-N 1 0 313.405 1.584 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C1 ZINC000299739988 529991528 /nfs/dbraw/zinc/99/15/28/529991528.db2.gz UKXUIJVMVAFBHO-ZFWWWQNUSA-N 1 0 318.421 1.162 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000299739911 530004904 /nfs/dbraw/zinc/00/49/04/530004904.db2.gz STBHLVFCMLKMHM-LLVKDONJSA-N 1 0 323.828 1.412 50 0 DDAARO CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000299738927 530044890 /nfs/dbraw/zinc/04/48/90/530044890.db2.gz IPKAHVJFNSHTJR-MJVIPROJSA-N 1 0 307.419 1.075 50 0 DDAARO Cc1occc1C[NH2+]C[C@H]1C[C@H](C2N=NC(=O)N2C)C[C@H]1O ZINC000685940713 539564207 /nfs/dbraw/zinc/56/42/07/539564207.db2.gz GCDPKCBRVYHNNW-YNEHKIRRSA-N 1 0 306.366 1.066 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccccc2)C1 ZINC000685943028 539567344 /nfs/dbraw/zinc/56/73/44/539567344.db2.gz BRSDMRZXNRYVNJ-ZIAGYGMSSA-N 1 0 310.419 1.571 50 0 DDAARO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000072121005 191040835 /nfs/dbraw/zinc/04/08/35/191040835.db2.gz LPNXOIUFYOCWIQ-UHFFFAOYSA-N 1 0 314.389 1.737 50 0 DDAARO CC[NH+](CC)Cc1cc(C(=O)N2CCC[C@@](O)(CO)C2)c(C)o1 ZINC000072164311 191063700 /nfs/dbraw/zinc/06/37/00/191063700.db2.gz IZEIVZPGCCQCPG-KRWDZBQOSA-N 1 0 324.421 1.389 50 0 DDAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000072253297 191087741 /nfs/dbraw/zinc/08/77/41/191087741.db2.gz HZHFKFWRYKIODS-CQSZACIVSA-N 1 0 314.455 1.033 50 0 DDAARO CC[C@@H]1CN(CCOc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000072279769 191101235 /nfs/dbraw/zinc/10/12/35/191101235.db2.gz NAMCTFSJKVFXLY-GDBMZVCRSA-N 1 0 310.413 1.982 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000237439900 186289242 /nfs/dbraw/zinc/28/92/42/186289242.db2.gz JJTRXVHSRYAJRE-GWCFXTLKSA-N 1 0 309.435 1.726 50 0 DDAARO c1nc2c(c(NCc3noc([C@@H]4CCCO4)n3)n1)CC[NH2+]CC2 ZINC000072410596 191154267 /nfs/dbraw/zinc/15/42/67/191154267.db2.gz KTJWIOXILMFZCO-LBPRGKRZSA-N 1 0 316.365 1.011 50 0 DDAARO CC(=O)NC1(NC(C)=O)C[C@H](c2ccccc2)[N@@H+](C)C[C@H]1C ZINC000003152399 352110888 /nfs/dbraw/zinc/11/08/88/352110888.db2.gz GPYHFBRENGHUGZ-MLGOLLRUSA-N 1 0 303.406 1.668 50 0 DDAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072440700 191166920 /nfs/dbraw/zinc/16/69/20/191166920.db2.gz IJMRUEQPWHUIPF-OAHLLOKOSA-N 1 0 319.453 1.237 50 0 DDAARO CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000072448468 191170050 /nfs/dbraw/zinc/17/00/50/191170050.db2.gz WQGDVULDDWJMDR-MRXNPFEDSA-N 1 0 316.401 1.124 50 0 DDAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)C[C@H]1CO ZINC000072478894 191179811 /nfs/dbraw/zinc/17/98/11/191179811.db2.gz KSSJJZKTBFCAEN-CVEARBPZSA-N 1 0 320.433 1.185 50 0 DDAARO O=C1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CCN1 ZINC000080628257 192175988 /nfs/dbraw/zinc/17/59/88/192175988.db2.gz ZGNIYHMUKOYXAS-UHFFFAOYSA-N 1 0 318.295 1.786 50 0 DDAARO COc1cc(C(=O)NCC[NH+]2CCCC2)cc(OC)c1OC ZINC000000529575 180814345 /nfs/dbraw/zinc/81/43/45/180814345.db2.gz PKBVRCYCEXZQOA-UHFFFAOYSA-N 1 0 308.378 1.538 50 0 DDAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCc2cncnc2C1 ZINC000072253897 353194720 /nfs/dbraw/zinc/19/47/20/353194720.db2.gz GLTCTWMAHLFFDT-QGZVFWFLSA-N 1 0 312.417 1.328 50 0 DDAARO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000072268914 353195883 /nfs/dbraw/zinc/19/58/83/353195883.db2.gz UNSBTCKUIDTYHG-HZPDHXFCSA-N 1 0 304.390 1.366 50 0 DDAARO CCn1ccnc1C[NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000075130877 353349812 /nfs/dbraw/zinc/34/98/12/353349812.db2.gz CUQZOZVMVKTNDQ-CYBMUJFWSA-N 1 0 304.398 1.349 50 0 DDAARO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000076058384 353395653 /nfs/dbraw/zinc/39/56/53/353395653.db2.gz 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193104628 /nfs/dbraw/zinc/10/46/28/193104628.db2.gz NUAKRRRQKKTGMF-QZTJIDSGSA-N 1 0 316.445 1.700 50 0 DDAARO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c2ccccc12 ZINC000092008266 193141136 /nfs/dbraw/zinc/14/11/36/193141136.db2.gz ZTXUIGMNGKUMLR-PXAZEXFGSA-N 1 0 314.385 1.923 50 0 DDAARO C[NH+](C)[C@H]1CN(Cc2ccccc2OCCO)C[C@@H]1C1CC1 ZINC000092045737 193147747 /nfs/dbraw/zinc/14/77/47/193147747.db2.gz KSNFEBSAHDZKGS-SJORKVTESA-N 1 0 304.434 1.830 50 0 DDAARO C[C@H](CCC(=O)NCCc1nc(C2CC2)no1)[NH+]1CCCC1 ZINC000220485829 201575514 /nfs/dbraw/zinc/57/55/14/201575514.db2.gz AHDMIWHBPSNNPY-GFCCVEGCSA-N 1 0 306.410 1.870 50 0 DDAARO C[C@H](CNc1ccc(OC(F)F)cn1)N1CC[NH+](C)CC1 ZINC000094154114 193347448 /nfs/dbraw/zinc/34/74/48/193347448.db2.gz LKHXOEMOTIOHMZ-LLVKDONJSA-N 1 0 300.353 1.731 50 0 DDAARO C[NH+](C)CCC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000095993326 193483407 /nfs/dbraw/zinc/48/34/07/193483407.db2.gz UMULPXGEKJYOOV-OAHLLOKOSA-N 1 0 318.483 1.549 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000095996363 193484800 /nfs/dbraw/zinc/48/48/00/193484800.db2.gz AZFIRPRPVFGTHK-WCBMZHEXSA-N 1 0 306.332 1.771 50 0 DDAARO CN(C(=O)COC1CCCC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096411747 193624351 /nfs/dbraw/zinc/62/43/51/193624351.db2.gz PEUDFLKDLBTDBT-HNNXBMFYSA-N 1 0 324.465 1.905 50 0 DDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cccc2c1OCCO2 ZINC000222750124 284246190 /nfs/dbraw/zinc/24/61/90/284246190.db2.gz SJLZIHVNGKHVHA-KBPBESRZSA-N 1 0 318.373 1.051 50 0 DDAARO COCCN1CCC[C@](O)(C[NH2+]C2CCCCCCC2)C1=O ZINC000015062538 181985586 /nfs/dbraw/zinc/98/55/86/181985586.db2.gz FNDMFQWQDVWLKE-KRWDZBQOSA-N 1 0 312.454 1.689 50 0 DDAARO C[NH+]1CCN(CCCN2C(=O)CS[C@@H]2c2ccccc2)CC1 ZINC000019789979 182148950 /nfs/dbraw/zinc/14/89/50/182148950.db2.gz HQQCAFZDJZIEMH-QGZVFWFLSA-N 1 0 319.474 1.898 50 0 DDAARO O=C(NCCN1CCCOC1=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000019794847 182150411 /nfs/dbraw/zinc/15/04/11/182150411.db2.gz 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C[NH+](C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1 ZINC000042949151 183320881 /nfs/dbraw/zinc/32/08/81/183320881.db2.gz BOTFVXWPDBGJGL-HNNXBMFYSA-N 1 0 324.469 1.404 50 0 DDAARO Cc1cc(CN(C)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)no1 ZINC000043820889 183386303 /nfs/dbraw/zinc/38/63/03/183386303.db2.gz CQUDEFTWSASQLB-HNNXBMFYSA-N 1 0 324.425 1.481 50 0 DDAARO CCS(=O)(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043944332 183390303 /nfs/dbraw/zinc/39/03/03/183390303.db2.gz NYUAXXGNTMVFCR-UHFFFAOYSA-N 1 0 302.465 1.899 50 0 DDAARO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(OC)c1 ZINC000106380256 194203865 /nfs/dbraw/zinc/20/38/65/194203865.db2.gz WHZHZIPJKSNPDB-INIZCTEOSA-N 1 0 306.406 1.657 50 0 DDAARO O=C(CC[NH+]1CCCCCCC1)NCC1(CO)CCOCC1 ZINC000055224805 183972093 /nfs/dbraw/zinc/97/20/93/183972093.db2.gz JAJIDIVDLBGLJM-UHFFFAOYSA-N 1 0 312.454 1.548 50 0 DDAARO NC(=O)[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000057958501 184063956 /nfs/dbraw/zinc/06/39/56/184063956.db2.gz CVHARKYIQWCMOP-NEPJUHHUSA-N 1 0 301.312 1.439 50 0 DDAARO CCN(C(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)C1CC1 ZINC000058305273 184103388 /nfs/dbraw/zinc/10/33/88/184103388.db2.gz BZIPCZGNTIAAEV-UHFFFAOYSA-N 1 0 320.437 1.066 50 0 DDAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000058401539 184112895 /nfs/dbraw/zinc/11/28/95/184112895.db2.gz RXFUUQREZFIATR-VXGBXAGGSA-N 1 0 307.394 1.970 50 0 DDAARO O=C(CCc1ccccc1O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058421473 184115704 /nfs/dbraw/zinc/11/57/04/184115704.db2.gz PQMSKGJVBOKKQK-HUUCEWRRSA-N 1 0 304.390 1.304 50 0 DDAARO CCOC(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368393 184147108 /nfs/dbraw/zinc/14/71/08/184147108.db2.gz RHBZCJUYFHCDHW-ZNMIVQPWSA-N 1 0 312.454 1.759 50 0 DDAARO C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065418960 184341342 /nfs/dbraw/zinc/34/13/42/184341342.db2.gz UWSJWMRCIDKUTB-GJZGRUSLSA-N 1 0 305.426 1.541 50 0 DDAARO CCC[NH+]1CCC(NC(=O)c2csc(NC(C)=O)n2)CC1 ZINC000065427480 184342489 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50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2c(Cl)nc3sccn23)C1 ZINC000071880837 406861223 /nfs/dbraw/zinc/86/12/23/406861223.db2.gz KIRBXKKNSYVYPH-JTQLQIEISA-N 1 0 314.842 1.860 50 0 DDAARO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)N1CCOCC1 ZINC000071886841 406862581 /nfs/dbraw/zinc/86/25/81/406862581.db2.gz JIHBJXCCLMAWPB-UHFFFAOYSA-N 1 0 322.380 1.280 50 0 DDAARO COc1ccc(C[NH2+]CCCN2CCCC2=O)c(OC)c1OC ZINC000013727781 406866991 /nfs/dbraw/zinc/86/69/91/406866991.db2.gz NHORXDPMYFJJIP-UHFFFAOYSA-N 1 0 322.405 1.815 50 0 DDAARO CNC(=O)c1nn(C)c2c1C[C@@H]([NH+]1CCCCCCC1)CC2 ZINC000014755474 406876869 /nfs/dbraw/zinc/87/68/69/406876869.db2.gz RAIPSUSILHJXGD-ZDUSSCGKSA-N 1 0 304.438 1.903 50 0 DDAARO O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000015075865 406877975 /nfs/dbraw/zinc/87/79/75/406877975.db2.gz GHPUWMOICDEPBD-HNNXBMFYSA-N 1 0 321.465 1.912 50 0 DDAARO CCCn1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cn1 ZINC000072300564 406880289 /nfs/dbraw/zinc/88/02/89/406880289.db2.gz 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/nfs/dbraw/zinc/97/15/97/406971597.db2.gz QGCLHZYOAVJKOJ-UHFFFAOYSA-N 1 0 303.406 1.361 50 0 DDAARO COCCCNC(=O)C[N@@H+]1CCCC[C@@H]1Cn1nc(C)cc1C ZINC000075132999 406924207 /nfs/dbraw/zinc/92/42/07/406924207.db2.gz GSVAJWZDMNBTBG-MRXNPFEDSA-N 1 0 322.453 1.507 50 0 DDAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000030542200 406932802 /nfs/dbraw/zinc/93/28/02/406932802.db2.gz RTZRDXJXFXZPRN-HNNXBMFYSA-N 1 0 313.467 1.985 50 0 DDAARO CN1CCN(C2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000075604090 406937444 /nfs/dbraw/zinc/93/74/44/406937444.db2.gz WOVUWNRMHDUMHT-MRXNPFEDSA-N 1 0 303.406 1.552 50 0 DDAARO CC(C)[C@@H](CNc1ncnc2c1cnn2C)[NH+]1CCN(C)CC1 ZINC000032760685 406952597 /nfs/dbraw/zinc/95/25/97/406952597.db2.gz UJNFPYAKZYTQKB-CQSZACIVSA-N 1 0 317.441 1.047 50 0 DDAARO CN1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1=O ZINC000044390119 407022427 /nfs/dbraw/zinc/02/24/27/407022427.db2.gz OPBKZYZIBCEKFP-INIZCTEOSA-N 1 0 317.433 1.445 50 0 DDAARO CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000044937562 407034635 /nfs/dbraw/zinc/03/46/35/407034635.db2.gz CNURHQFLNISXLY-JKSUJKDBSA-N 1 0 322.430 1.794 50 0 DDAARO Cn1ncc2c1ncnc2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000044976873 407037416 /nfs/dbraw/zinc/03/74/16/407037416.db2.gz PIWZCRACZVDJKK-UHFFFAOYSA-N 1 0 323.404 1.835 50 0 DDAARO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1C1CCCCC1)NCc1ccccn1 ZINC000078726224 407043477 /nfs/dbraw/zinc/04/34/77/407043477.db2.gz QOZFSZUUCHYSCK-DLBZAZTESA-N 1 0 317.433 1.713 50 0 DDAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccco2)[nH+]1 ZINC000036708056 406982221 /nfs/dbraw/zinc/98/22/21/406982221.db2.gz RKZFSRUJAZEEMW-UHFFFAOYSA-N 1 0 315.377 1.820 50 0 DDAARO Cc1nnnn1CCC[N@H+]1CCCC[C@@H]1CCc1nccn1C ZINC000077341500 406985500 /nfs/dbraw/zinc/98/55/00/406985500.db2.gz VFPWVLFCDMRRJK-OAHLLOKOSA-N 1 0 317.441 1.592 50 0 DDAARO CCc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000077575136 406997493 /nfs/dbraw/zinc/99/74/93/406997493.db2.gz BMOHFNPJDCVIJJ-INIZCTEOSA-N 1 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LREOIVWYOXPJKK-CYBMUJFWSA-N 1 0 304.419 1.898 50 0 DDAARO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000089857582 407154360 /nfs/dbraw/zinc/15/43/60/407154360.db2.gz PIPIJICPTKXTFY-OAHLLOKOSA-N 1 0 305.403 1.539 50 0 DDAARO O=c1[nH]c2ccccc2cc1C[NH2+]C1(CCO)CCOCC1 ZINC000089873042 407155660 /nfs/dbraw/zinc/15/56/60/407155660.db2.gz FIQCVLWKZFTTKB-UHFFFAOYSA-N 1 0 302.374 1.962 50 0 DDAARO C[C@@H](NC(=O)CCC[NH+](C)C)c1cn(-c2ccccc2)nn1 ZINC000089913493 407158141 /nfs/dbraw/zinc/15/81/41/407158141.db2.gz VQIIUNMJLGKGPA-CYBMUJFWSA-N 1 0 301.394 1.786 50 0 DDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089938985 407160577 /nfs/dbraw/zinc/16/05/77/407160577.db2.gz BUFGVVOWIVHCDF-MRXNPFEDSA-N 1 0 315.461 1.860 50 0 DDAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000096318717 407259243 /nfs/dbraw/zinc/25/92/43/407259243.db2.gz FIPQSIRSMVTLNQ-CQSZACIVSA-N 1 0 321.421 1.133 50 0 DDAARO Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000096412703 407261408 /nfs/dbraw/zinc/26/14/08/407261408.db2.gz DPIVZSPAGOESNI-CQSZACIVSA-N 1 0 303.406 1.621 50 0 DDAARO NC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095374066 407210589 /nfs/dbraw/zinc/21/05/89/407210589.db2.gz WGWJOFAHHROSIR-DLBZAZTESA-N 1 0 301.434 1.848 50 0 DDAARO C[NH+]1CCN(CCCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000056681348 407210623 /nfs/dbraw/zinc/21/06/23/407210623.db2.gz LSYMOPCLTWRWOB-NVNXTCNLSA-N 1 0 323.462 1.214 50 0 DDAARO Cc1cc(C)c2c(ncnc2NC[C@@H](O)C[NH+]2CCCC2)n1 ZINC000095384436 407212346 /nfs/dbraw/zinc/21/23/46/407212346.db2.gz VGDHDALJKCFIKD-CYBMUJFWSA-N 1 0 301.394 1.510 50 0 DDAARO C[C@@H](C(=O)N1CCC(C2OCCO2)CC1)[NH+]1CCCCCC1 ZINC000095962361 407218068 /nfs/dbraw/zinc/21/80/68/407218068.db2.gz LAYRTNKTISFLJM-AWEZNQCLSA-N 1 0 310.438 1.862 50 0 DDAARO CC1(C)C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C(C)(C)O1 ZINC000095968653 407218668 /nfs/dbraw/zinc/21/86/68/407218668.db2.gz UTVICZRCUBJMTE-AWEZNQCLSA-N 1 0 306.406 1.986 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H]2C=CCC2)CC1 ZINC000058328907 407219920 /nfs/dbraw/zinc/21/99/20/407219920.db2.gz RAOCJRXEAFABLW-HNNXBMFYSA-N 1 0 314.433 1.806 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ccccn2c1=O ZINC000058341879 407220101 /nfs/dbraw/zinc/22/01/01/407220101.db2.gz CSWDGTKAKLVBIM-UONOGXRCSA-N 1 0 312.373 1.051 50 0 DDAARO C[NH+]1CCC(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000095988907 407221153 /nfs/dbraw/zinc/22/11/53/407221153.db2.gz LUDSQDJFMNYIOU-KRWDZBQOSA-N 1 0 317.433 1.734 50 0 DDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc[n+]2[O-])C1 ZINC000065140371 407240310 /nfs/dbraw/zinc/24/03/10/407240310.db2.gz NLEPZGDLINVLAU-GDBMZVCRSA-N 1 0 311.385 1.885 50 0 DDAARO O=C(NCC[NH+]1CCCC1)Nc1ccc(N2CCOCC2)nc1 ZINC000065440053 407242745 /nfs/dbraw/zinc/24/27/45/407242745.db2.gz HEABJTGBBQMGCF-UHFFFAOYSA-N 1 0 319.409 1.136 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000096181175 407243155 /nfs/dbraw/zinc/24/31/55/407243155.db2.gz 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/nfs/dbraw/zinc/27/78/23/407277823.db2.gz RMYKNGPCQPGYPM-UHFFFAOYSA-N 1 0 305.426 1.959 50 0 DDAARO CC1(C(=O)N2CC(CO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000097101057 407280517 /nfs/dbraw/zinc/28/05/17/407280517.db2.gz XDCFHLHFIWLMST-UHFFFAOYSA-N 1 0 302.418 1.739 50 0 DDAARO CCCc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 ZINC000067743732 407282306 /nfs/dbraw/zinc/28/23/06/407282306.db2.gz YJNFRYIPDLQDLH-MRXNPFEDSA-N 1 0 321.421 1.887 50 0 DDAARO CCc1ccc(C(=O)N2CC[N@H+](CC3CCC3)C[C@@H](O)C2)[nH]1 ZINC000097394004 407293059 /nfs/dbraw/zinc/29/30/59/407293059.db2.gz JCFGOTIJCORYPD-OAHLLOKOSA-N 1 0 305.422 1.496 50 0 DDAARO COc1ccccc1CCNC(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000097602174 407300723 /nfs/dbraw/zinc/30/07/23/407300723.db2.gz GCLGTJGXFYFXNW-MRXNPFEDSA-N 1 0 320.433 1.853 50 0 DDAARO COC(=O)CC1(NC(=O)/C=C\c2ccc(C)o2)CC[NH+](C)CC1 ZINC000098056288 407304805 /nfs/dbraw/zinc/30/48/05/407304805.db2.gz KLCKEKAFBDGARG-SREVYHEPSA-N 1 0 320.389 1.745 50 0 DDAARO COc1cc(/C=C/C(=O)N2CC[NH2+]C[C@H]2C)cc2c1OCCO2 ZINC000124821815 407370400 /nfs/dbraw/zinc/37/04/00/407370400.db2.gz RDBNNAWNZUGVFN-AAOUONPWSA-N 1 0 318.373 1.300 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000195554401 407467769 /nfs/dbraw/zinc/46/77/69/407467769.db2.gz ORMARBIVHXYQJD-APHBMKBZSA-N 1 0 306.406 1.969 50 0 DDAARO [NH3+]CCCOC1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000170660038 407469931 /nfs/dbraw/zinc/46/99/31/407469931.db2.gz KDOUYPPBDAXWHO-UHFFFAOYSA-N 1 0 312.360 1.864 50 0 DDAARO Cc1noc(C)c1CN1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000215013874 407480362 /nfs/dbraw/zinc/48/03/62/407480362.db2.gz GXQRAPUNQWPMOK-UHFFFAOYSA-N 1 0 306.410 1.078 50 0 DDAARO COc1ccc2cc(C(=O)N3C[C@@H](CO)[C@H]([NH+](C)C)C3)[nH]c2c1 ZINC000257178967 407480917 /nfs/dbraw/zinc/48/09/17/407480917.db2.gz CFPZCJWMYBZNTQ-BLLLJJGKSA-N 1 0 317.389 1.171 50 0 DDAARO C[NH+](C)C1(CNC(=O)[C@@H](O)Cc2ccccc2)CCCCC1 ZINC000215354865 407483064 /nfs/dbraw/zinc/48/30/64/407483064.db2.gz 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407585032 /nfs/dbraw/zinc/58/50/32/407585032.db2.gz LRMHBDYJWRMEJQ-PBHICJAKSA-N 1 0 314.470 1.933 50 0 DDAARO O=c1cc(C[NH+]2CCC(Cn3cncn3)CC2)nc2ccccn12 ZINC000186256229 407623361 /nfs/dbraw/zinc/62/33/61/407623361.db2.gz KVTNEUBARQZDBX-UHFFFAOYSA-N 1 0 324.388 1.198 50 0 DDAARO CCc1nsc(N2CCCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000178863896 407630174 /nfs/dbraw/zinc/63/01/74/407630174.db2.gz ZIEBPKMBFBGAPF-GFCCVEGCSA-N 1 0 323.466 1.281 50 0 DDAARO CN1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000229518981 407666003 /nfs/dbraw/zinc/66/60/03/407666003.db2.gz NZRWXTKPXPXKMF-SMDDNHRTSA-N 1 0 318.339 1.659 50 0 DDAARO NC(=O)c1cc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)n[nH]1 ZINC000229830510 407673234 /nfs/dbraw/zinc/67/32/34/407673234.db2.gz YHCPUDKUGNADAZ-CZUORRHYSA-N 1 0 314.389 1.422 50 0 DDAARO CCCc1nc([C@@H]2CN(C[C@@H](O)c3ccccc3)CCO2)n[nH]1 ZINC000229916453 407674848 /nfs/dbraw/zinc/67/48/48/407674848.db2.gz WGYPLKCPPUNIGY-CABCVRRESA-N 1 0 316.405 1.864 50 0 DDAARO COc1ccc(-c2n[nH]cc2C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000179067245 407711368 /nfs/dbraw/zinc/71/13/68/407711368.db2.gz NHNCZBGAUWUAJS-LBPRGKRZSA-N 1 0 300.362 1.519 50 0 DDAARO Cc1ccc2nc(CN3CCCC[C@H]3CC[NH3+])cc(=O)n2c1 ZINC000262019994 407715233 /nfs/dbraw/zinc/71/52/33/407715233.db2.gz XNBNRYIKMFIEEP-HNNXBMFYSA-N 1 0 300.406 1.706 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000237568535 407828671 /nfs/dbraw/zinc/82/86/71/407828671.db2.gz YVQMUJGOKQEGFC-XHDPSFHLSA-N 1 0 317.368 1.748 50 0 DDAARO Cc1ccccc1[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000237641297 407833379 /nfs/dbraw/zinc/83/33/79/407833379.db2.gz UGJZYERHCXZCQR-WBVHZDCISA-N 1 0 318.417 1.664 50 0 DDAARO Cc1c(C(=O)N2CCC[C@@H]2C2CCC2)nnn1C1CC[NH2+]CC1 ZINC000237733632 407839546 /nfs/dbraw/zinc/83/95/46/407839546.db2.gz WHXQCCOEPCQAKJ-OAHLLOKOSA-N 1 0 317.437 1.916 50 0 DDAARO COc1cccc(N2CC[NH+](CCc3cncn3C)CC2)c1 ZINC000241837558 407912099 /nfs/dbraw/zinc/91/20/99/407912099.db2.gz SLAVXZXBSUARRN-UHFFFAOYSA-N 1 0 300.406 1.793 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)C1 ZINC000134179465 407887370 /nfs/dbraw/zinc/88/73/70/407887370.db2.gz ILLUYLGVPBOQBT-HUUCEWRRSA-N 1 0 318.421 1.305 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000243932689 407924877 /nfs/dbraw/zinc/92/48/77/407924877.db2.gz BYAJUULXWVQNNQ-UHFFFAOYSA-N 1 0 316.471 1.172 50 0 DDAARO C[N@H+](CCCn1cnnn1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244724317 407934133 /nfs/dbraw/zinc/93/41/33/407934133.db2.gz MRTHIODOWAQUSW-HNNXBMFYSA-N 1 0 300.410 1.522 50 0 DDAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000244742061 407934595 /nfs/dbraw/zinc/93/45/95/407934595.db2.gz OBFRZSZUDIMSRI-ZDUSSCGKSA-N 1 0 310.825 1.919 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000156454616 408258553 /nfs/dbraw/zinc/25/85/53/408258553.db2.gz OLMHSUHNBCFJSA-GHMZBOCLSA-N 1 0 300.362 1.123 50 0 DDAARO COc1ccccc1[C@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246615824 408304733 /nfs/dbraw/zinc/30/47/33/408304733.db2.gz JQPABSATZRBTOC-DRPJVOAASA-N 1 0 318.417 1.766 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)C[C@H]3CCCCO3)C2)no1 ZINC000248113546 408533097 /nfs/dbraw/zinc/53/30/97/408533097.db2.gz KWQOSBHEXVXOIU-HUUCEWRRSA-N 1 0 308.426 1.843 50 0 DDAARO CCN(CC(N)=O)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192810425 408652150 /nfs/dbraw/zinc/65/21/50/408652150.db2.gz LECOYUOYNYDDJZ-GFCCVEGCSA-N 1 0 313.760 1.392 50 0 DDAARO C[NH2+]CC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000193143494 408700665 /nfs/dbraw/zinc/70/06/65/408700665.db2.gz SQANJJVOJPDWEX-NSHDSACASA-N 1 0 316.188 1.434 50 0 DDAARO CCOC(=O)c1cnc(N2CC[N@H+](C)C[C@H]2C(C)C)nc1C ZINC000252487599 408799234 /nfs/dbraw/zinc/79/92/34/408799234.db2.gz ZJCDQZDYLWBGEI-AWEZNQCLSA-N 1 0 306.410 1.738 50 0 DDAARO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000252551382 408804774 /nfs/dbraw/zinc/80/47/74/408804774.db2.gz UDPMIANJMJYOFN-UKRRQHHQSA-N 1 0 311.451 1.444 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 ZINC000249693969 408757986 /nfs/dbraw/zinc/75/79/86/408757986.db2.gz OLBRFOGJQOVFDI-NWDGAFQWSA-N 1 0 321.446 1.936 50 0 DDAARO Cc1noc([C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]2CO)n1 ZINC000253403470 408815068 /nfs/dbraw/zinc/81/50/68/408815068.db2.gz HEOYJMMIJXCBAL-WCQYABFASA-N 1 0 309.316 1.864 50 0 DDAARO CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)o1 ZINC000299760007 410609565 /nfs/dbraw/zinc/60/95/65/410609565.db2.gz SXZUHCBGNOEKEI-DIOULYMOSA-N 1 0 308.378 1.144 50 0 DDAARO COc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)cc1C(N)=O ZINC000299791050 410632857 /nfs/dbraw/zinc/63/28/57/410632857.db2.gz CKXHZQDCLGCXSP-GFCCVEGCSA-N 1 0 320.393 1.400 50 0 DDAARO Cc1ccccc1CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000416865572 225095319 /nfs/dbraw/zinc/09/53/19/225095319.db2.gz FEVPHOGTYGPRCS-QGZVFWFLSA-N 1 0 316.449 1.227 50 0 DDAARO CCOc1ncccc1CNC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000044968876 418434546 /nfs/dbraw/zinc/43/45/46/418434546.db2.gz IJLZPAVRQCMHFR-CYBMUJFWSA-N 1 0 306.410 1.621 50 0 DDAARO O[C@@H](C[NH2+]Cc1nnc2ccccn21)c1ccc2c(c1)OCO2 ZINC000044974218 418434955 /nfs/dbraw/zinc/43/49/55/418434955.db2.gz FPFIYEARDZYHTL-LBPRGKRZSA-N 1 0 312.329 1.281 50 0 DDAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)C1CC1 ZINC000047979763 418462843 /nfs/dbraw/zinc/46/28/43/418462843.db2.gz YWLRJTISDCULBW-WFASDCNBSA-N 1 0 307.438 1.139 50 0 DDAARO C[C@H](CNC(=O)NCCCn1cncn1)[N@@H+]1CCCC[C@@H]1C ZINC000107573932 418498281 /nfs/dbraw/zinc/49/82/81/418498281.db2.gz ICXJUISQXYPCLE-UONOGXRCSA-N 1 0 308.430 1.230 50 0 DDAARO C[C@H](Cc1cccs1)[N@H+](C)CC(=O)N[C@H]1CCSC1=O ZINC000107525573 418498666 /nfs/dbraw/zinc/49/86/66/418498666.db2.gz ACBFUKJPPOXMRQ-PWSUYJOCSA-N 1 0 312.460 1.759 50 0 DDAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000120235219 418503092 /nfs/dbraw/zinc/50/30/92/418503092.db2.gz FZURSFZPKWBGOO-KBPBESRZSA-N 1 0 319.449 1.378 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cnn(CC)c1 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CS[C@@H](C)CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000119989596 195076918 /nfs/dbraw/zinc/07/69/18/195076918.db2.gz RWEOQSGNIFFYBM-AWEZNQCLSA-N 1 0 313.511 1.614 50 0 DDAARO CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000074232094 257210810 /nfs/dbraw/zinc/21/08/10/257210810.db2.gz GZPYWWDYGRDCBE-PBHICJAKSA-N 1 0 311.470 1.334 50 0 DDAARO CC(C)n1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000521394362 257241503 /nfs/dbraw/zinc/24/15/03/257241503.db2.gz LENOYUJKIHTRJJ-LSDHHAIUSA-N 1 0 306.410 1.399 50 0 DDAARO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000365858188 257241986 /nfs/dbraw/zinc/24/19/86/257241986.db2.gz UQSQONFPZPXJQS-ZDUSSCGKSA-N 1 0 303.362 1.025 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000069372420 406703191 /nfs/dbraw/zinc/70/31/91/406703191.db2.gz VWVQGXOJNIILAT-ZIAGYGMSSA-N 1 0 316.405 1.747 50 0 DDAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH2+]C ZINC000000294041 406638994 /nfs/dbraw/zinc/63/89/94/406638994.db2.gz 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O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)NC1CC1 ZINC000008864312 406797097 /nfs/dbraw/zinc/79/70/97/406797097.db2.gz ZWIPMPAKGDQFJT-CYBMUJFWSA-N 1 0 307.419 1.280 50 0 DDAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000012569644 406848512 /nfs/dbraw/zinc/84/85/12/406848512.db2.gz LAWLCHLREIVSPN-UONOGXRCSA-N 1 0 324.421 1.048 50 0 DDAARO CCOC(=O)C[C@@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012648395 406849991 /nfs/dbraw/zinc/84/99/91/406849991.db2.gz LIWIVVWMLYSOFS-GFCCVEGCSA-N 1 0 300.399 1.914 50 0 DDAARO COc1cccc(-c2cc(CC(=O)NCC[NH+](C)C)no2)c1 ZINC000013574205 406864743 /nfs/dbraw/zinc/86/47/43/406864743.db2.gz JLZDBLMTPTUJLL-UHFFFAOYSA-N 1 0 303.362 1.571 50 0 DDAARO COCCC(=O)Nc1cc(CN2CC[NH+](C)CC2)ccc1OC ZINC000071903914 406864874 /nfs/dbraw/zinc/86/48/74/406864874.db2.gz GUYFSEJAFCCINE-UHFFFAOYSA-N 1 0 321.421 1.418 50 0 DDAARO COc1cccc([C@H](CNc2ccc3nnnn3n2)[NH+](C)C)c1 ZINC000014254755 406875099 /nfs/dbraw/zinc/87/50/99/406875099.db2.gz GSYPFIXIRYCFJA-ZDUSSCGKSA-N 1 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CC1(C)C[C@@H](C[NH+]2CCN(CCn3cncn3)CC2)CCO1 ZINC000077505967 406993842 /nfs/dbraw/zinc/99/38/42/406993842.db2.gz DSBMXJWXZKJDMD-HNNXBMFYSA-N 1 0 307.442 1.101 50 0 DDAARO Nc1ncccc1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000077515844 406994637 /nfs/dbraw/zinc/99/46/37/406994637.db2.gz OMKVAMNIXUNKCH-INIZCTEOSA-N 1 0 304.438 1.741 50 0 DDAARO C[C@@H](CN1C(=O)NC2(CC[NH2+]CC2)C1=O)Oc1ccccc1 ZINC000077539840 406995671 /nfs/dbraw/zinc/99/56/71/406995671.db2.gz NKCWSJJNGPYYKQ-LBPRGKRZSA-N 1 0 303.362 1.128 50 0 DDAARO Cc1nnc2ccc(N3CCC(C[NH+]4CCCC4)CC3)nn12 ZINC000048368690 407097056 /nfs/dbraw/zinc/09/70/56/407097056.db2.gz OZRWRBIPBKEQKV-UHFFFAOYSA-N 1 0 300.410 1.745 50 0 DDAARO CCn1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000085455987 407101358 /nfs/dbraw/zinc/10/13/58/407101358.db2.gz FVTCYPCIXKOJRY-ZIAGYGMSSA-N 1 0 308.426 1.522 50 0 DDAARO COCC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000085467877 407102676 /nfs/dbraw/zinc/10/26/76/407102676.db2.gz LCIRWEWFADRZQN-UHFFFAOYSA-N 1 0 319.361 1.775 50 0 DDAARO C[C@@H]1C[N@@H+](CCCNC(=O)CSc2ccncc2)C[C@H](C)O1 ZINC000047434588 407073917 /nfs/dbraw/zinc/07/39/17/407073917.db2.gz OTIAYMXZTVGYFU-OKILXGFUSA-N 1 0 323.462 1.789 50 0 DDAARO C[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000049993061 407125936 /nfs/dbraw/zinc/12/59/36/407125936.db2.gz JISAQFLGTXJOKW-HOTGVXAUSA-N 1 0 321.852 1.807 50 0 DDAARO CNC(=O)[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000051093128 407135921 /nfs/dbraw/zinc/13/59/21/407135921.db2.gz DTZRWPSXELZMPP-MRXNPFEDSA-N 1 0 303.406 1.466 50 0 DDAARO COc1ccc(C[N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000051315966 407139170 /nfs/dbraw/zinc/13/91/70/407139170.db2.gz ZPFLIOWMWDQVEH-UHFFFAOYSA-N 1 0 319.405 1.848 50 0 DDAARO COC[C@H](O)C[NH+]1CCC(NCc2ccccc2OC)CC1 ZINC000089800809 407150108 /nfs/dbraw/zinc/15/01/08/407150108.db2.gz ASKZPYPSOCYUCW-MRXNPFEDSA-N 1 0 308.422 1.257 50 0 DDAARO Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(N)[nH+]1 ZINC000052450348 407151409 /nfs/dbraw/zinc/15/14/09/407151409.db2.gz UKDMMYDFDZHNET-UHFFFAOYSA-N 1 0 307.398 1.861 50 0 DDAARO CC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2nc(C)cs2)CC1 ZINC000089943321 407160748 /nfs/dbraw/zinc/16/07/48/407160748.db2.gz WBGWPIKPVZQNIE-GFCCVEGCSA-N 1 0 312.439 1.808 50 0 DDAARO Cc1cc(C)c2c(ncnc2NC[C@H]2COCC[N@@H+](C)C2)n1 ZINC000095354116 407208194 /nfs/dbraw/zinc/20/81/94/407208194.db2.gz ROBWGYUMNYXGSX-CYBMUJFWSA-N 1 0 301.394 1.632 50 0 DDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CSCN2C)CC1 ZINC000095360931 407209233 /nfs/dbraw/zinc/20/92/33/407209233.db2.gz JFZBLRNNOWWBKX-HNNXBMFYSA-N 1 0 320.462 1.433 50 0 DDAARO O=C(CO)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383463 407211877 /nfs/dbraw/zinc/21/18/77/407211877.db2.gz OSMMJFKAMHKICN-USXIJHARSA-N 1 0 304.365 1.207 50 0 DDAARO CC(C)C[NH+]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000095961297 407218089 /nfs/dbraw/zinc/21/80/89/407218089.db2.gz JLRGTPGMECTWJI-MRXNPFEDSA-N 1 0 319.453 1.189 50 0 DDAARO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H]1C ZINC000096004771 407223173 /nfs/dbraw/zinc/22/31/73/407223173.db2.gz NYBXAGWODSEKAK-MCIONIFRSA-N 1 0 304.456 1.063 50 0 DDAARO Cc1[nH+]c2ccccc2c(NC[C@@H](O)CN2CCOCC2)c1C ZINC000096009695 407223663 /nfs/dbraw/zinc/22/36/63/407223663.db2.gz PIWWQLVIJQVKHC-OAHLLOKOSA-N 1 0 315.417 1.957 50 0 DDAARO O=C(CSc1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650802 407229239 /nfs/dbraw/zinc/22/92/39/407229239.db2.gz NAWMPGOBUOJBNJ-UONOGXRCSA-N 1 0 306.431 1.758 50 0 DDAARO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@](C)(O)[C@@H](O)C3)cc(=O)c2c1 ZINC000096180372 407243746 /nfs/dbraw/zinc/24/37/46/407243746.db2.gz UESIGFVMVBDECI-DLBZAZTESA-N 1 0 302.374 1.154 50 0 DDAARO O=C(c1ccc(OCC2CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000066323519 407248377 /nfs/dbraw/zinc/24/83/77/407248377.db2.gz HFAMNOWKCDZFBO-UHFFFAOYSA-N 1 0 304.390 1.537 50 0 DDAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCOC1 ZINC000096444669 407267225 /nfs/dbraw/zinc/26/72/25/407267225.db2.gz APKIHPOBZVZXRO-MRXNPFEDSA-N 1 0 317.433 1.351 50 0 DDAARO CC(C)Oc1cccc(CCNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000097076748 407278001 /nfs/dbraw/zinc/27/80/01/407278001.db2.gz FATHMSKXAYADFS-MRXNPFEDSA-N 1 0 306.406 1.511 50 0 DDAARO C[NH+](C)CCC1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000097114656 407281091 /nfs/dbraw/zinc/28/10/91/407281091.db2.gz WGYSAZOSOILKAU-AWEZNQCLSA-N 1 0 304.456 1.016 50 0 DDAARO COc1ncc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)c(OC)n1 ZINC000067726525 407282688 /nfs/dbraw/zinc/28/26/88/407282688.db2.gz AQZXCVKEFYALDX-JTQLQIEISA-N 1 0 305.309 1.562 50 0 DDAARO Cn1cc(C[NH2+]CCCN2CCCC2=O)c(-c2ccncc2)n1 ZINC000097159744 407284392 /nfs/dbraw/zinc/28/43/92/407284392.db2.gz HYDKWHWEPNFGKU-UHFFFAOYSA-N 1 0 313.405 1.584 50 0 DDAARO c1cnn(-c2ccccc2CNc2ncnc3c2CC[NH2+]C3)c1 ZINC000067804584 407285143 /nfs/dbraw/zinc/28/51/43/407285143.db2.gz LBTDMZYYXDOFJA-UHFFFAOYSA-N 1 0 306.373 1.920 50 0 DDAARO CC(C)[NH+]1CCC(C(=O)N(C)Cc2[nH]nc3c2CCC3)CC1 ZINC000067921563 407290076 /nfs/dbraw/zinc/29/00/76/407290076.db2.gz IPFJWFHTHPOATO-UHFFFAOYSA-N 1 0 304.438 1.977 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2csc(N)n2)C1 ZINC000097594857 407300087 /nfs/dbraw/zinc/30/00/87/407300087.db2.gz UOGYBQYQKWCWFZ-LLVKDONJSA-N 1 0 308.451 1.743 50 0 DDAARO CCOC(=O)CN(C(=O)C[N@H+](C)CC(C)(C)O)c1ccccc1 ZINC000097599545 407300284 /nfs/dbraw/zinc/30/02/84/407300284.db2.gz PNMLZTWYPDCZKJ-UHFFFAOYSA-N 1 0 322.405 1.285 50 0 DDAARO COCCN(C(=O)c1nn(C)cc1Cl)C1CC[NH+](C)CC1 ZINC000097729981 407302541 /nfs/dbraw/zinc/30/25/41/407302541.db2.gz WMTTXPLDPYFBJN-UHFFFAOYSA-N 1 0 314.817 1.256 50 0 DDAARO COc1ccc(OCCC[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000107157812 407369644 /nfs/dbraw/zinc/36/96/44/407369644.db2.gz XVKJSKMGUMDLCT-IAGOWNOFSA-N 1 0 306.406 1.479 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000125324099 407385541 /nfs/dbraw/zinc/38/55/41/407385541.db2.gz RFXOPJLMJIRJMG-ZYHUDNBSSA-N 1 0 323.343 1.138 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000108087508 407381992 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COc1ccc(C[N@H+](C)C2CCOCC2)cc1Cn1cncn1 ZINC000215273058 407485373 /nfs/dbraw/zinc/48/53/73/407485373.db2.gz VSVMIYLQEJCUMT-UHFFFAOYSA-N 1 0 316.405 1.946 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CCN1CCN(CC(F)(F)F)C(=O)C1 ZINC000253417487 407441801 /nfs/dbraw/zinc/44/18/01/407441801.db2.gz DMXXQXWDOMFMKW-GFCCVEGCSA-N 1 0 307.360 1.567 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1sccc1Cl ZINC000223856301 407574136 /nfs/dbraw/zinc/57/41/36/407574136.db2.gz UCSVYZQRKFQQSW-APHKKCJPSA-N 1 0 300.811 1.849 50 0 DDAARO COc1ccc2cc(C[N@@H+]3CCN(C)[C@H](CO)C3)ccc2c1 ZINC000225329223 407581217 /nfs/dbraw/zinc/58/12/17/407581217.db2.gz YODWOBBIFVMLEQ-KRWDZBQOSA-N 1 0 300.402 1.957 50 0 DDAARO CC[NH+]1CCN(CC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000219269487 407528719 /nfs/dbraw/zinc/52/87/19/407528719.db2.gz CEIARBCYLPCCMP-UHFFFAOYSA-N 1 0 316.449 1.425 50 0 DDAARO CSCC[C@@H](O)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219986641 407534141 /nfs/dbraw/zinc/53/41/41/407534141.db2.gz VATZRFBFSHJPCK-OAHLLOKOSA-N 1 0 323.462 1.276 50 0 DDAARO O=C(Cn1ccnc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000220053975 407537486 /nfs/dbraw/zinc/53/74/86/407537486.db2.gz SNKSYOUHCQEGFQ-UHFFFAOYSA-N 1 0 310.401 1.195 50 0 DDAARO O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000152023289 407546467 /nfs/dbraw/zinc/54/64/67/407546467.db2.gz NMRRPYYKNPBDNM-WMLDXEAASA-N 1 0 312.369 1.818 50 0 DDAARO C[C@@H]1CN(CCNC(=O)[C@H]2COc3ccccc32)C[C@@H](C)O1 ZINC000221762815 407550653 /nfs/dbraw/zinc/55/06/53/407550653.db2.gz XBAIWEBXJMFWHS-NFAWXSAZSA-N 1 0 304.390 1.388 50 0 DDAARO CCOc1ncccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229173628 407659676 /nfs/dbraw/zinc/65/96/76/407659676.db2.gz PWSUSBJBSHJKAR-GJZGRUSLSA-N 1 0 318.421 1.906 50 0 DDAARO CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229356838 407661109 /nfs/dbraw/zinc/66/11/09/407661109.db2.gz CNURHQFLNISXLY-CVEARBPZSA-N 1 0 322.430 1.794 50 0 DDAARO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)[nH]n1 ZINC000229830749 407670834 /nfs/dbraw/zinc/67/08/34/407670834.db2.gz ISLMSSGJAJEFAJ-OAGGEKHMSA-N 1 0 323.437 1.454 50 0 DDAARO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cnn1-c1ccccc1F ZINC000179110799 407726695 /nfs/dbraw/zinc/72/66/95/407726695.db2.gz QFKUASZQXYZVOJ-GFCCVEGCSA-N 1 0 302.353 1.754 50 0 DDAARO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1F ZINC000229357063 407663232 /nfs/dbraw/zinc/66/32/32/407663232.db2.gz WWAXDQRDKRYCBX-STQMWFEESA-N 1 0 316.373 1.870 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000229517344 407665343 /nfs/dbraw/zinc/66/53/43/407665343.db2.gz ZZTGTGYEHMKHBK-IUODEOHRSA-N 1 0 300.349 1.261 50 0 DDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000133971319 407880315 /nfs/dbraw/zinc/88/03/15/407880315.db2.gz LUWMDWQYYHVCSQ-DZGCQCFKSA-N 1 0 300.468 1.992 50 0 DDAARO CCC1=NO[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000240971661 407909496 /nfs/dbraw/zinc/90/94/96/407909496.db2.gz UASHYUDYJLKDBH-AWEZNQCLSA-N 1 0 300.366 1.853 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C3CCCCC3)n[nH]2)CCO1 ZINC000135018095 407966235 /nfs/dbraw/zinc/96/62/35/407966235.db2.gz DOQBFGLJEFBYRB-CQSZACIVSA-N 1 0 320.437 1.860 50 0 DDAARO FC(F)(F)c1nnc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000242389259 407915507 /nfs/dbraw/zinc/91/55/07/407915507.db2.gz ZVODZYOJMPLRGS-VIFPVBQESA-N 1 0 312.299 1.428 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153914270 407930321 /nfs/dbraw/zinc/93/03/21/407930321.db2.gz ZIWOJLWBZVOCAH-BETUJISGSA-N 1 0 324.446 1.693 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC(=O)Nc1ccn(C)n1 ZINC000244795268 407937966 /nfs/dbraw/zinc/93/79/66/407937966.db2.gz RCUXPZRQXMCHOC-UHFFFAOYSA-N 1 0 304.398 1.263 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC[NH2+]1 ZINC000155146484 408130553 /nfs/dbraw/zinc/13/05/53/408130553.db2.gz UFZBPTQDGRLBTO-YGRLFVJLSA-N 1 0 323.343 1.138 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000182548738 408188996 /nfs/dbraw/zinc/18/89/96/408188996.db2.gz ORMARBIVHXYQJD-VBNZEHGJSA-N 1 0 306.406 1.969 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000269290201 408254210 /nfs/dbraw/zinc/25/42/10/408254210.db2.gz UDBPWSXRQFUBFH-TZMCWYRMSA-N 1 0 316.405 1.416 50 0 DDAARO O=C(CCc1nccs1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265484825 408668135 /nfs/dbraw/zinc/66/81/35/408668135.db2.gz DWRHERSFBRNCHF-CYBMUJFWSA-N 1 0 323.462 1.693 50 0 DDAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)C1 ZINC000252516436 408804146 /nfs/dbraw/zinc/80/41/46/408804146.db2.gz SNFWVMFIPDNKIV-UONOGXRCSA-N 1 0 304.394 1.188 50 0 DDAARO CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)CC1=O ZINC000195111819 408812024 /nfs/dbraw/zinc/81/20/24/408812024.db2.gz UWMFINKLPVAVMZ-GJZGRUSLSA-N 1 0 315.417 1.552 50 0 DDAARO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NCc2ccccc2)C[C@H]1C ZINC000281913012 408953002 /nfs/dbraw/zinc/95/30/02/408953002.db2.gz ADGCJSVUTRCBEK-QWQRMKEZSA-N 1 0 318.417 1.822 50 0 DDAARO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280364289 409299208 /nfs/dbraw/zinc/29/92/08/409299208.db2.gz YJVJGPAFFHACHJ-BBRMVZONSA-N 1 0 302.374 1.593 50 0 DDAARO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000354402719 409827788 /nfs/dbraw/zinc/82/77/88/409827788.db2.gz HZHXTHZGHOCGPI-RYQLBKOJSA-N 1 0 304.434 1.638 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000299757760 410607245 /nfs/dbraw/zinc/60/72/45/410607245.db2.gz JLBWGRJOAIVFRE-CYBMUJFWSA-N 1 0 321.421 1.609 50 0 DDAARO CN(C[C@H]1CCOC1)C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299788117 410628178 /nfs/dbraw/zinc/62/81/78/410628178.db2.gz QCXFCFPUPRGRBC-GFCCVEGCSA-N 1 0 310.369 1.662 50 0 DDAARO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)n1C(F)F ZINC000299790310 410632341 /nfs/dbraw/zinc/63/23/41/410632341.db2.gz ASVJHAYWNVCSME-UHFFFAOYSA-N 1 0 315.364 1.626 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000132393536 196251977 /nfs/dbraw/zinc/25/19/77/196251977.db2.gz KFMKKCKWGVYCFG-ZDUSSCGKSA-N 1 0 303.337 1.973 50 0 DDAARO COC(=O)N1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000108101971 418499711 /nfs/dbraw/zinc/49/97/11/418499711.db2.gz XJWXFQZDYYRPTQ-BHYGNILZSA-N 1 0 317.433 1.937 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000192799280 222136100 /nfs/dbraw/zinc/13/61/00/222136100.db2.gz GRZMDNMPCZLISV-GHMZBOCLSA-N 1 0 303.328 1.992 50 0 DDAARO O=S(=O)(c1cccc2cccnc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000239310055 222209790 /nfs/dbraw/zinc/20/97/90/222209790.db2.gz IAFPBCBORIIMPW-AWEZNQCLSA-N 1 0 317.414 1.704 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000249752615 222242035 /nfs/dbraw/zinc/24/20/35/222242035.db2.gz DSYLZOGSSCDQHM-GJZGRUSLSA-N 1 0 307.438 1.236 50 0 DDAARO C[C@@H]1NC(=O)N(CC[N@H+](C)CCCOc2ccccc2)C1=O ZINC000408520210 418808260 /nfs/dbraw/zinc/80/82/60/418808260.db2.gz BGKQAKDKFMSFKI-ZDUSSCGKSA-N 1 0 305.378 1.328 50 0 DDAARO Fc1ccc(N2CCN(CCO[C@H]3CCCCO3)CC2)nc1 ZINC000365639846 418886707 /nfs/dbraw/zinc/88/67/07/418886707.db2.gz ZSSQPKUCLSRUBM-INIZCTEOSA-N 1 0 309.385 1.886 50 0 DDAARO CCc1c(C)nn(CCNC(=O)C[C@@H](C)[NH+]2CCOCC2)c1C ZINC000426478047 419481176 /nfs/dbraw/zinc/48/11/76/419481176.db2.gz RKLYFQBYPKDAOR-CYBMUJFWSA-N 1 0 322.453 1.289 50 0 DDAARO CCC[NH+]1CCC(CCNC(=O)N2CCc3n[nH]cc3C2)CC1 ZINC000426503078 419491103 /nfs/dbraw/zinc/49/11/03/419491103.db2.gz RLUWXXSSXOERFM-UHFFFAOYSA-N 1 0 319.453 1.990 50 0 DDAARO O=C(NCc1ccc(F)cc1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000426387587 419453142 /nfs/dbraw/zinc/45/31/42/419453142.db2.gz CAVLNVJZRTUBDE-GJZGRUSLSA-N 1 0 307.369 1.176 50 0 DDAARO Cn1nccc1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426398945 419457108 /nfs/dbraw/zinc/45/71/08/419457108.db2.gz AGRFIWWVPQCUAK-UHFFFAOYSA-N 1 0 314.418 1.811 50 0 DDAARO Cn1c(CC[NH3+])nnc1SC[C@@H]1CC(c2ccccc2)=NO1 ZINC000426734182 419540240 /nfs/dbraw/zinc/54/02/40/419540240.db2.gz XFUGURYSCOOJAF-LBPRGKRZSA-N 1 0 317.418 1.602 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000299746999 229388475 /nfs/dbraw/zinc/38/84/75/229388475.db2.gz BUCNFZMCIYUGQT-MKPLZMMCSA-N 1 0 318.295 1.485 50 0 DDAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1nc(-c2cnccn2)no1 ZINC000583651631 422209178 /nfs/dbraw/zinc/20/91/78/422209178.db2.gz PZVWJXDILLAIBS-NSHDSACASA-N 1 0 316.365 1.131 50 0 DDAARO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)CC2 ZINC000097021060 277439404 /nfs/dbraw/zinc/43/94/04/277439404.db2.gz LCYBNINSTNTRJC-IUODEOHRSA-N 1 0 311.447 1.965 50 0 DDAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000239619533 278144360 /nfs/dbraw/zinc/14/43/60/278144360.db2.gz BFHVWZREVCXAFQ-XDQVBPFNSA-N 1 0 300.468 1.838 50 0 DDAARO C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[N@H+](C)C[C@H]1C ZINC000089938858 278198006 /nfs/dbraw/zinc/19/80/06/278198006.db2.gz QCEWIMWPRSULIR-OLZOCXBDSA-N 1 0 307.463 1.657 50 0 DDAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000187855955 281370002 /nfs/dbraw/zinc/37/00/02/281370002.db2.gz CDAVJKLKPPCXLM-IMJJTQAJSA-N 1 0 304.390 1.272 50 0 DDAARO Cc1nsc(N2CCCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000299753573 294002403 /nfs/dbraw/zinc/00/24/03/294002403.db2.gz YRNGXFRUIYCJPF-STQMWFEESA-N 1 0 323.466 1.403 50 0 DDAARO O=C1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C2(CCC2)N1 ZINC000367247205 300818866 /nfs/dbraw/zinc/81/88/66/300818866.db2.gz SKSRSZJJBGXPNH-GFCCVEGCSA-N 1 0 319.371 1.804 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000041630756 302843950 /nfs/dbraw/zinc/84/39/50/302843950.db2.gz XIVJCIZJMZBKHZ-UHFFFAOYSA-N 1 0 301.412 1.444 50 0 DDAARO Cc1cccc([C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])N(C)C)c1 ZINC000534583124 334289645 /nfs/dbraw/zinc/28/96/45/334289645.db2.gz ZNRKEMWUHVNCAZ-YVSFHVDLSA-N 1 0 301.434 1.793 50 0 DDAARO Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)on1 ZINC000534637885 334310042 /nfs/dbraw/zinc/31/00/42/334310042.db2.gz UTJZTNGZVHAETR-CQSZACIVSA-N 1 0 300.362 1.772 50 0 DDAARO CCC[C@H](CNS(=O)(=O)c1ccnn1C(C)C)[NH+](C)C ZINC000534655900 334313716 /nfs/dbraw/zinc/31/37/16/334313716.db2.gz CYXJCTRNJPHMFD-GFCCVEGCSA-N 1 0 302.444 1.473 50 0 DDAARO CCCS(=O)(=O)NC[C@H](C)[NH2+]Cc1cnc2c(C)cccn12 ZINC000534658812 334314821 /nfs/dbraw/zinc/31/48/21/334314821.db2.gz HZMCEUZXFFYLFR-ZDUSSCGKSA-N 1 0 324.450 1.450 50 0 DDAARO NC(=O)c1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)ncn1 ZINC000585092660 483920821 /nfs/dbraw/zinc/92/08/21/483920821.db2.gz IPXCAVALHXBMHM-GFCCVEGCSA-N 1 0 317.418 1.886 50 0 DDAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cnn3ccccc23)cn1 ZINC000084317592 483993990 /nfs/dbraw/zinc/99/39/90/483993990.db2.gz PUYWGYLSRKAHRT-DYVFJYSZSA-N 1 0 311.389 1.935 50 0 DDAARO CN(C)c1cc(N2CCN(C(=O)C3CCCCC3)CC2)cn[nH+]1 ZINC000206723646 484135475 /nfs/dbraw/zinc/13/54/75/484135475.db2.gz CALXXEFPMHKXAS-UHFFFAOYSA-N 1 0 317.437 1.772 50 0 DDAARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCOc2ccccc2)C1 ZINC000290882527 484324120 /nfs/dbraw/zinc/32/41/20/484324120.db2.gz YYFIADUMYJZROF-AWEZNQCLSA-N 1 0 312.435 1.421 50 0 DDAARO COc1ccc(C)cc1C(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000670452557 484840549 /nfs/dbraw/zinc/84/05/49/484840549.db2.gz JEIURASKUMFPPQ-CQSZACIVSA-N 1 0 306.406 1.654 50 0 DDAARO Cc1ccc(N2CCC([NH2+]C[C@H]3CN(C)C(=O)CO3)CC2)cc1 ZINC000670456192 484842028 /nfs/dbraw/zinc/84/20/28/484842028.db2.gz IRNPUHAHWFHGEP-KRWDZBQOSA-N 1 0 317.433 1.411 50 0 DDAARO Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000670456873 484842789 /nfs/dbraw/zinc/84/27/89/484842789.db2.gz VEEZRXJTDUYBPB-GFCCVEGCSA-N 1 0 302.378 1.691 50 0 DDAARO Cc1nc2c(c(C)n1)C[C@@H](C[NH+]1CCC(c3cc[nH]n3)CC1)O2 ZINC000670464173 484846531 /nfs/dbraw/zinc/84/65/31/484846531.db2.gz ZHDIHPMSSQRQEO-AWEZNQCLSA-N 1 0 313.405 2.000 50 0 DDAARO Nc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]n1 ZINC000670469167 484847952 /nfs/dbraw/zinc/84/79/52/484847952.db2.gz HQOSFNFNURMWFU-SNVBAGLBSA-N 1 0 305.407 1.448 50 0 DDAARO Cn1ccnc1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000670472564 484849742 /nfs/dbraw/zinc/84/97/42/484849742.db2.gz OIJUILOUJZSUHE-UHFFFAOYSA-N 1 0 310.405 1.885 50 0 DDAARO CC(C)n1cnc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299749814 528613475 /nfs/dbraw/zinc/61/34/75/528613475.db2.gz LRTBAYGTDAYOAC-RYUDHWBXSA-N 1 0 300.428 1.212 50 0 DDAARO CC(C)[N@H+](C)Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000020913308 696071425 /nfs/dbraw/zinc/07/14/25/696071425.db2.gz DUVPTYAMEYICBE-ZDUSSCGKSA-N 1 0 307.394 1.124 50 0 DDAARO [NH3+]C[C@H]1Cc2cccc(-c3nc4c(s3)CC(=O)NCC4)c2O1 ZINC000067771018 696363940 /nfs/dbraw/zinc/36/39/40/696363940.db2.gz GNSDKIBMQFNIKN-SNVBAGLBSA-N 1 0 315.398 1.287 50 0 DDAARO Cn1cc(/C=C\C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000103354078 696613844 /nfs/dbraw/zinc/61/38/44/696613844.db2.gz RXBMULXWBFPTQF-PTZVLDCSSA-N 1 0 316.380 1.992 50 0 DDAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@H]2C1=O ZINC000169751601 697343822 /nfs/dbraw/zinc/34/38/22/697343822.db2.gz ZFNVDQDPPPOFAH-OKILXGFUSA-N 1 0 324.327 1.028 50 0 DDAARO O=C(CCC(F)(F)F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173599879 697380009 /nfs/dbraw/zinc/38/00/09/697380009.db2.gz FDWYFJPRRFCOQK-LLVKDONJSA-N 1 0 308.344 1.946 50 0 DDAARO C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1ccnc1 ZINC000426544936 699155454 /nfs/dbraw/zinc/15/54/54/699155454.db2.gz FYGWZZLBFWCMJH-CQSZACIVSA-N 1 0 313.405 1.620 50 0 DDAARO CN=c1[nH]c(CSc2nnc(C3CC[NH2+]CC3)n2C)cs1 ZINC000426479761 699155557 /nfs/dbraw/zinc/15/55/57/699155557.db2.gz OQLRJPBEVJIWJB-UHFFFAOYSA-N 1 0 324.479 1.495 50 0 DDAARO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)c1 ZINC000863983616 706049986 /nfs/dbraw/zinc/04/99/86/706049986.db2.gz KCAUHACALCEPCR-BBRMVZONSA-N 1 0 317.433 1.973 50 0 DDAARO Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000888099995 709213588 /nfs/dbraw/zinc/21/35/88/709213588.db2.gz QHJCNWSKJFQNRX-HIFRSBDPSA-N 1 0 319.453 1.902 50 0 DDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCn2cnnc2)CC1 ZINC000952979305 721531290 /nfs/dbraw/zinc/53/12/90/721531290.db2.gz NKFIYIAENUXHPZ-UHFFFAOYSA-N 1 0 314.393 1.111 50 0 DDAARO c1nnn(C23C[C@@H]4C[C@@H](CC([NH2+]Cc5cncnc5)(C4)C2)C3)n1 ZINC000952984179 721532132 /nfs/dbraw/zinc/53/21/32/721532132.db2.gz IQJXLSOUXRTPER-YPXDRJKUSA-N 1 0 311.393 1.301 50 0 DDAARO CCc1nnc2n1C[C@H]1CC[C@@H](C2)N1Cc1ccncc1F ZINC000675019760 737521083 /nfs/dbraw/zinc/52/10/83/737521083.db2.gz MBTONDHWMJTCJC-QWHCGFSZSA-N 1 0 301.369 1.964 50 0 DDAARO CC(=O)N1CCC([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)CC1 ZINC000675020712 737521358 /nfs/dbraw/zinc/52/13/58/737521358.db2.gz HMOVLNLPVTZOSI-WMZOPIPTSA-N 1 0 317.433 1.380 50 0 DDAARO CC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@]2(CO)C1 ZINC000675021516 737523023 /nfs/dbraw/zinc/52/30/23/737523023.db2.gz QDZHJPNZEOMXPA-GDBMZVCRSA-N 1 0 308.447 1.719 50 0 DDAARO CC(C)Oc1cc(NCC2([NH+](C)C)CCN(C)CC2)nc(N)n1 ZINC000823759349 758349811 /nfs/dbraw/zinc/34/98/11/758349811.db2.gz AGKGOWSZBNRSRD-UHFFFAOYSA-N 1 0 322.457 1.284 50 0 DDAARO O=C(Cn1cccn1)NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827861481 759390380 /nfs/dbraw/zinc/39/03/80/759390380.db2.gz LORDLOGXTRKHJM-AWEZNQCLSA-N 1 0 302.378 1.505 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)c1ccc2nccnc2c1 ZINC000828168890 759509780 /nfs/dbraw/zinc/50/97/80/759509780.db2.gz SMUALRJFJFILPB-UHFFFAOYSA-N 1 0 307.357 1.597 50 0 DDAARO Cn1cncc1C[NH+]1CCC(CNC(=O)c2ccoc2)CC1 ZINC000828207395 759539331 /nfs/dbraw/zinc/53/93/31/759539331.db2.gz IVZMULJFLQIWFE-UHFFFAOYSA-N 1 0 302.378 1.655 50 0 DDAARO CN(C)C(=O)c1ccc(NCCC[N@@H+]2CCCC[C@@H]2CO)nc1 ZINC000828710848 759747329 /nfs/dbraw/zinc/74/73/29/759747329.db2.gz OUXIMGUMSCNLSF-OAHLLOKOSA-N 1 0 320.437 1.432 50 0 DDAARO O=C(Cc1cccnc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581787846 761700087 /nfs/dbraw/zinc/70/00/87/761700087.db2.gz FDLRSBRPBJNVES-INIZCTEOSA-N 1 0 317.433 1.585 50 0 DDAARO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CSCCS2)s1 ZINC000585118126 771950928 /nfs/dbraw/zinc/95/09/28/771950928.db2.gz CQGJIOPZADAEKW-VIFPVBQESA-N 1 0 324.518 1.334 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000585137912 771966484 /nfs/dbraw/zinc/96/64/84/771966484.db2.gz ABIPCAXZCAOHEN-OAHLLOKOSA-N 1 0 312.435 1.072 50 0 DDAARO C[NH+](C)C[C@H]1CC[C@@H](Cc2cncc(C(=O)N3CCCC3)n2)O1 ZINC000952854091 775580681 /nfs/dbraw/zinc/58/06/81/775580681.db2.gz MMERVKPDSRWICE-LSDHHAIUSA-N 1 0 318.421 1.364 50 0 DDAARO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000074675582 185008303 /nfs/dbraw/zinc/00/83/03/185008303.db2.gz PLNMQQPALZFNJL-IUODEOHRSA-N 1 0 321.469 1.704 50 0 DDAARO CN(C)CC[NH+]1CCC(CNC(=O)CSC(C)(C)C)CC1 ZINC000079312962 185164407 /nfs/dbraw/zinc/16/44/07/185164407.db2.gz YFHUYZAYIFVLNS-UHFFFAOYSA-N 1 0 315.527 1.908 50 0 DDAARO O[C@]1(C[NH2+]Cc2cc(F)ccc2Br)CCOC1 ZINC000090193642 185286693 /nfs/dbraw/zinc/28/66/93/185286693.db2.gz LPNHHZUYFSEGNZ-LBPRGKRZSA-N 1 0 304.159 1.829 50 0 DDAARO Cc1ncsc1CCC(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091445239 282231561 /nfs/dbraw/zinc/23/15/61/282231561.db2.gz VSTDLSABWYLFAP-CHWSQXEVSA-N 1 0 311.451 1.013 50 0 DDAARO Cc1cc(C)cc(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2=O)c1 ZINC000082136977 192360740 /nfs/dbraw/zinc/36/07/40/192360740.db2.gz MFNBNTYDIRPKLP-OAHLLOKOSA-N 1 0 301.390 1.231 50 0 DDAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 ZINC000095402693 185354946 /nfs/dbraw/zinc/35/49/46/185354946.db2.gz PHLDGKTZKQZNLS-NSHDSACASA-N 1 0 319.434 1.962 50 0 DDAARO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000095432103 185363404 /nfs/dbraw/zinc/36/34/04/185363404.db2.gz OOJDVEWSARYIJZ-NSHDSACASA-N 1 0 308.835 1.115 50 0 DDAARO CN(C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1cnn(C)c1 ZINC000225733126 201740094 /nfs/dbraw/zinc/74/00/94/201740094.db2.gz OYGNPZNNPOUWOF-JKSUJKDBSA-N 1 0 306.454 1.962 50 0 DDAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299749348 530001106 /nfs/dbraw/zinc/00/11/06/530001106.db2.gz KAFMERABXCMDQP-JQWIXIFHSA-N 1 0 302.296 1.387 50 0 DDAARO Cc1cc(OC(F)F)c(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)s1 ZINC000685940260 539564108 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Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000072281263 191101139 /nfs/dbraw/zinc/10/11/39/191101139.db2.gz HEBBPYYUKPMRGP-ZYHUDNBSSA-N 1 0 304.398 1.239 50 0 DDAARO C[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)[NH+]1CCCCCC1 ZINC000072293120 191109422 /nfs/dbraw/zinc/10/94/22/191109422.db2.gz USIOPHJORQTWAE-GJZGRUSLSA-N 1 0 305.426 1.706 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000072300149 191113890 /nfs/dbraw/zinc/11/38/90/191113890.db2.gz XNYQJVSDLKXMSE-KFWWJZLASA-N 1 0 316.467 1.444 50 0 DDAARO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000253370926 186301882 /nfs/dbraw/zinc/30/18/82/186301882.db2.gz YDPZPRYUPWDPJF-IUODEOHRSA-N 1 0 314.426 1.770 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(CO)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000253407605 186308272 /nfs/dbraw/zinc/30/82/72/186308272.db2.gz FIBSNPIRLAPZEE-LBPRGKRZSA-N 1 0 324.396 1.235 50 0 DDAARO CN(Cc1nc2ccccc2n1C)c1ncnc2c1CC[NH2+]CC2 ZINC000072419599 191156400 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CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2nccn2CC)cn1 ZINC000078880686 353536384 /nfs/dbraw/zinc/53/63/84/353536384.db2.gz BNZGWRQDYPJSRG-CJNGLKHVSA-N 1 0 303.410 1.987 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000095402439 353912633 /nfs/dbraw/zinc/91/26/33/353912633.db2.gz JNMVKYLGDSKNJC-SUMWQHHRSA-N 1 0 320.437 1.358 50 0 DDAARO CCn1nc(C)c(S(=O)(=O)N[C@H]2C[N@H+](CC)C[C@H]2C)c1C ZINC000107059006 353943972 /nfs/dbraw/zinc/94/39/72/353943972.db2.gz MPLCONALSLBJMR-MFKMUULPSA-N 1 0 314.455 1.138 50 0 DDAARO COc1cccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2=O)c1 ZINC000129223457 354080089 /nfs/dbraw/zinc/08/00/89/354080089.db2.gz DUNFMEDRPPVFHJ-INIZCTEOSA-N 1 0 304.390 1.959 50 0 DDAARO C[NH+](C)CCCNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004132837 181077628 /nfs/dbraw/zinc/07/76/28/181077628.db2.gz MGEKAAIYAMKRLV-UHFFFAOYSA-N 1 0 317.389 1.341 50 0 DDAARO O=C(CCC(F)(F)F)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000584888827 354791627 /nfs/dbraw/zinc/79/16/27/354791627.db2.gz 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Cn1c(CO)nnc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000244852650 202502166 /nfs/dbraw/zinc/50/21/66/202502166.db2.gz UWILVVIWOSDSAY-AWEZNQCLSA-N 1 0 316.405 1.566 50 0 DDAARO NC(=O)c1ccc[n+](CCOc2cccc(Br)c2)c1 ZINC000006646405 181364452 /nfs/dbraw/zinc/36/44/52/181364452.db2.gz VBVSCPNKVIZCGV-UHFFFAOYSA-O 1 0 322.182 1.915 50 0 DDAARO C[C@](O)(CN1CCC(CO)([NH2+]CC2CC2)CC1)C(F)(F)F ZINC000328599146 291340813 /nfs/dbraw/zinc/34/08/13/291340813.db2.gz QBKKKPCXZKKOLX-LBPRGKRZSA-N 1 0 310.360 1.126 50 0 DDAARO Cc1cnccc1Cn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091350594 193044910 /nfs/dbraw/zinc/04/49/10/193044910.db2.gz VVIITTJKQQBSER-UHFFFAOYSA-N 1 0 323.404 1.818 50 0 DDAARO Cc1nnsc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091562896 193073496 /nfs/dbraw/zinc/07/34/96/193073496.db2.gz VITGCLZWCAKGIT-CHWSQXEVSA-N 1 0 324.450 1.013 50 0 DDAARO COCC[C@]1(CO)CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000091493697 193064012 /nfs/dbraw/zinc/06/40/12/193064012.db2.gz WRFOPCDPGLRJOA-QGZVFWFLSA-N 1 0 312.454 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/nfs/dbraw/zinc/14/52/92/193145292.db2.gz LZYFSTRURDPHJW-CHWSQXEVSA-N 1 0 309.435 1.310 50 0 DDAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261983523 203166599 /nfs/dbraw/zinc/16/65/99/203166599.db2.gz ASAGZPWDOZODCB-OCCSQVGLSA-N 1 0 314.307 1.227 50 0 DDAARO CC[C@@H](NC(=O)CC1CC[NH+](CC)CC1)c1ncnn1CC ZINC000095369645 193434837 /nfs/dbraw/zinc/43/48/37/193434837.db2.gz NNRASVDRSMKNAI-CQSZACIVSA-N 1 0 307.442 1.987 50 0 DDAARO OCCN[C@H](c1ccccc1)[C@H]([NH2+]CCO)c1ccccc1 ZINC000019371080 182119755 /nfs/dbraw/zinc/11/97/55/182119755.db2.gz VPCWFGUIHDFUPC-QZTJIDSGSA-N 1 0 300.402 1.633 50 0 DDAARO Cc1ccccc1CN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000019687834 182136353 /nfs/dbraw/zinc/13/63/53/182136353.db2.gz VMODXKSYGCISFV-UHFFFAOYSA-N 1 0 301.434 1.639 50 0 DDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000019772576 182145422 /nfs/dbraw/zinc/14/54/22/182145422.db2.gz UGLNALCWPKTKBO-LLVKDONJSA-N 1 0 304.209 1.726 50 0 DDAARO COc1ccccc1OC1CC[NH+](CCn2cncn2)CC1 ZINC000020455457 182219589 /nfs/dbraw/zinc/21/95/89/182219589.db2.gz ITDRIZWYWOYSGW-UHFFFAOYSA-N 1 0 302.378 1.830 50 0 DDAARO CCN1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000020639135 182240711 /nfs/dbraw/zinc/24/07/11/182240711.db2.gz NSKXEWCUVFDZSB-UHFFFAOYSA-N 1 0 302.418 1.899 50 0 DDAARO CC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C ZINC000020706834 182243300 /nfs/dbraw/zinc/24/33/00/182243300.db2.gz RSVHPIZSZANCFO-UHFFFAOYSA-N 1 0 301.394 1.279 50 0 DDAARO CN1CC[NH+]([C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]2O)CC1 ZINC000020996069 182258014 /nfs/dbraw/zinc/25/80/14/182258014.db2.gz KGRQNRHMRKSJSX-IAGOWNOFSA-N 1 0 321.465 1.086 50 0 DDAARO Cc1ccc([C@H](C)CC[NH+]2CCN(CCOCCO)CC2)o1 ZINC000022077707 182308530 /nfs/dbraw/zinc/30/85/30/182308530.db2.gz QNHUAWFMQCWHFB-OAHLLOKOSA-N 1 0 310.438 1.708 50 0 DDAARO O=C(NCC[NH+]1CCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000021933104 182298567 /nfs/dbraw/zinc/29/85/67/182298567.db2.gz SVLROJLJSJTFOA-OAHLLOKOSA-N 1 0 319.380 1.391 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1 ZINC000022682413 182330188 /nfs/dbraw/zinc/33/01/88/182330188.db2.gz AFDFGSSSYLTRGZ-AWEZNQCLSA-N 1 0 303.337 1.547 50 0 DDAARO Nc1nccnc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000022464046 182322359 /nfs/dbraw/zinc/32/23/59/182322359.db2.gz LOLDVTLAVJTECT-AWEZNQCLSA-N 1 0 311.389 1.626 50 0 DDAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@@H]1CCO ZINC000023374987 182357857 /nfs/dbraw/zinc/35/78/57/182357857.db2.gz MMMBXTYQTUOVAW-SFHVURJKSA-N 1 0 314.433 1.787 50 0 DDAARO COc1ccccc1/C=C/C[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000023372852 182358028 /nfs/dbraw/zinc/35/80/28/182358028.db2.gz AKUISWSSVXNJIU-XQTSXYSPSA-N 1 0 318.417 1.086 50 0 DDAARO C[NH+](C)C1(CNS(=O)(=O)N2CCCCCC2)CCCC1 ZINC000040090067 183033537 /nfs/dbraw/zinc/03/35/37/183033537.db2.gz GJNSTIQJXDMSIZ-UHFFFAOYSA-N 1 0 303.472 1.571 50 0 DDAARO COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000040287488 183051954 /nfs/dbraw/zinc/05/19/54/183051954.db2.gz 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c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)CN2 ZINC000058328433 184105673 /nfs/dbraw/zinc/10/56/73/184105673.db2.gz DBEVKVNXYNMZPA-OAHLLOKOSA-N 1 0 312.421 1.710 50 0 DDAARO C[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)[NH+]1CCCC1 ZINC000063732765 184287560 /nfs/dbraw/zinc/28/75/60/184287560.db2.gz JVKOBTXAAJVPCU-ZDUSSCGKSA-N 1 0 317.389 1.857 50 0 DDAARO C[C@@H]1CN(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@@H](C)O1 ZINC000065473311 184350956 /nfs/dbraw/zinc/35/09/56/184350956.db2.gz JAFLZPDOQFYJKL-ZIAGYGMSSA-N 1 0 315.421 1.671 50 0 DDAARO C[C@H](C(N)=O)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065474848 184351235 /nfs/dbraw/zinc/35/12/35/184351235.db2.gz MYZAOYGHNFHAMW-LLVKDONJSA-N 1 0 304.369 1.954 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000065577905 184368041 /nfs/dbraw/zinc/36/80/41/184368041.db2.gz OEFJIHOTKQDXGX-CQSZACIVSA-N 1 0 316.405 1.650 50 0 DDAARO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000065608097 184372086 /nfs/dbraw/zinc/37/20/86/184372086.db2.gz 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DDAARO CCNC(=O)COc1ccc(C[NH2+]C2CCOCC2)cc1OC ZINC000069597270 406739280 /nfs/dbraw/zinc/73/92/80/406739280.db2.gz LYTHRFCMEQWWFO-UHFFFAOYSA-N 1 0 322.405 1.479 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000069627630 406745065 /nfs/dbraw/zinc/74/50/65/406745065.db2.gz BVGWDZBFVOJRJF-IRXDYDNUSA-N 1 0 324.440 1.884 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2CCCC2)CC1 ZINC000069665700 406753437 /nfs/dbraw/zinc/75/34/37/406753437.db2.gz CBHJAHJBPMMIII-KRWDZBQOSA-N 1 0 322.497 1.988 50 0 DDAARO CCc1nn2c(nc(C[NH2+][C@H](C)Cn3cccn3)cc2=O)s1 ZINC000069387601 406706250 /nfs/dbraw/zinc/70/62/50/406706250.db2.gz FGWZQYMQMSENMA-SNVBAGLBSA-N 1 0 318.406 1.088 50 0 DDAARO O=c1[nH]c(CC[N@@H+]2CCC[C@H]2Cn2cncn2)nc2ccccc12 ZINC000069842293 406778420 /nfs/dbraw/zinc/77/84/20/406778420.db2.gz DDLDSNXSJJYLDS-ZDUSSCGKSA-N 1 0 324.388 1.222 50 0 DDAARO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000008317992 406784808 /nfs/dbraw/zinc/78/48/08/406784808.db2.gz UDHCUZPJGITIRD-LLVKDONJSA-N 1 0 307.369 1.028 50 0 DDAARO C[C@H]1CN(Cc2nccn2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000070008513 406801965 /nfs/dbraw/zinc/80/19/65/406801965.db2.gz MBCIVUBMTPEMLS-RDJZCZTQSA-N 1 0 314.433 1.660 50 0 DDAARO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3Cn3cccn3)nc12 ZINC000070039609 406805650 /nfs/dbraw/zinc/80/56/50/406805650.db2.gz XMGRKHSXWOOYRC-INIZCTEOSA-N 1 0 323.400 1.864 50 0 DDAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CC3CC3)C2=O)cc1F ZINC000011662686 406828727 /nfs/dbraw/zinc/82/87/27/406828727.db2.gz JNZDWAKIKPRBHM-GOSISDBHSA-N 1 0 320.408 1.987 50 0 DDAARO OC1CCN(c2ccnc(N3CCC4(C3)CC[NH2+]CC4)n2)CC1 ZINC000071278739 406836288 /nfs/dbraw/zinc/83/62/88/406836288.db2.gz SAJFZGZXJFGYTR-UHFFFAOYSA-N 1 0 317.437 1.018 50 0 DDAARO CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1Nc1cc[nH+]cc1 ZINC000012227171 406838322 /nfs/dbraw/zinc/83/83/22/406838322.db2.gz RBCKABIYHKJPPW-UHFFFAOYSA-N 1 0 311.345 1.333 50 0 DDAARO Cn1nnc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCC[N@@H+]3C)ccc21 ZINC000071870449 406856124 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ZINC000072288472 406878502 /nfs/dbraw/zinc/87/85/02/406878502.db2.gz GKOTWPCEERLBQE-HNNXBMFYSA-N 1 0 323.404 1.487 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000019299790 406884961 /nfs/dbraw/zinc/88/49/61/406884961.db2.gz FPHFWYOPNCKCIA-OAHLLOKOSA-N 1 0 314.433 1.806 50 0 DDAARO Cc1ccc(NC2=N[C@]3(NC(=[NH2+])N2)c2ccccc2NC3=O)cc1 ZINC000019318956 406885044 /nfs/dbraw/zinc/88/50/44/406885044.db2.gz FHAWMFLYXHGMMP-QGZVFWFLSA-N 1 0 320.356 1.486 50 0 DDAARO CC[NH+](CC)CCCN1CCN(c2nc(C)cnc2C)CC1 ZINC000020877813 406888702 /nfs/dbraw/zinc/88/87/02/406888702.db2.gz MRVRHSQJSYVULR-UHFFFAOYSA-N 1 0 305.470 1.947 50 0 DDAARO COc1cc(CN2CCN(c3ncccn3)CC2)ccc1O ZINC000022591269 406890388 /nfs/dbraw/zinc/89/03/88/406890388.db2.gz VLQNSOKWHDBAPL-UHFFFAOYSA-N 1 0 300.362 1.513 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000036296894 406978338 /nfs/dbraw/zinc/97/83/38/406978338.db2.gz DLGAQNFPBSWUCJ-ZDUSSCGKSA-N 1 0 312.435 1.894 50 0 DDAARO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000075415256 406932265 /nfs/dbraw/zinc/93/22/65/406932265.db2.gz ONZLEGXJQCZRGN-QGZVFWFLSA-N 1 0 318.417 1.803 50 0 DDAARO Cc1nc(CN2CCN(c3cc(C)[nH+]c(N)n3)CC2)cs1 ZINC000032558306 406949119 /nfs/dbraw/zinc/94/91/19/406949119.db2.gz WNVQWXXXLHRPHY-UHFFFAOYSA-N 1 0 304.423 1.454 50 0 DDAARO O=C(CN1CCCC1=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761795 406952398 /nfs/dbraw/zinc/95/23/98/406952398.db2.gz AJXXORIPJPUOPN-CYBMUJFWSA-N 1 0 321.446 1.624 50 0 DDAARO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000044937586 407033879 /nfs/dbraw/zinc/03/38/79/407033879.db2.gz PLAIBUFOPPJACU-UONOGXRCSA-N 1 0 316.373 1.870 50 0 DDAARO CC(C)[NH+]1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000045522627 407045083 /nfs/dbraw/zinc/04/50/83/407045083.db2.gz WBXJPPCWMPHDOG-UHFFFAOYSA-N 1 0 320.418 1.011 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H]1[NH+](C)C ZINC000078894882 407047149 /nfs/dbraw/zinc/04/71/49/407047149.db2.gz 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000190091191 408161986 /nfs/dbraw/zinc/16/19/86/408161986.db2.gz SEIRROIKJQDMQY-BXUZGUMPSA-N 1 0 321.808 1.974 50 0 DDAARO C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)c2cccnc2O1 ZINC000190420388 408238797 /nfs/dbraw/zinc/23/87/97/408238797.db2.gz VZISLSJCSXIGDW-LBPRGKRZSA-N 1 0 311.407 1.095 50 0 DDAARO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnc2c(c1)nnn2C ZINC000182875090 408273014 /nfs/dbraw/zinc/27/30/14/408273014.db2.gz HTDDQFYMIPCNFK-ZDUSSCGKSA-N 1 0 316.409 1.310 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000158942417 408370614 /nfs/dbraw/zinc/37/06/14/408370614.db2.gz WUSRYLPOIRKFQI-GFCCVEGCSA-N 1 0 317.368 1.478 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247707032 408505210 /nfs/dbraw/zinc/50/52/10/408505210.db2.gz FSMPIHXYIKOYSA-XIRDDKMYSA-N 1 0 318.417 1.391 50 0 DDAARO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247735392 408506008 /nfs/dbraw/zinc/50/60/08/408506008.db2.gz KBXZJGSLUMFQFL-GJZGRUSLSA-N 1 0 305.378 1.518 50 0 DDAARO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)c(F)c(F)c1 ZINC000265459250 408658629 /nfs/dbraw/zinc/65/86/29/408658629.db2.gz BAJZALXPPLVVKU-UHFFFAOYSA-N 1 0 316.323 1.681 50 0 DDAARO C[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]2CCCC[C@@H]12 ZINC000252467410 408795970 /nfs/dbraw/zinc/79/59/70/408795970.db2.gz IIVVGEWNLZBMHS-SNPRPXQTSA-N 1 0 305.422 1.485 50 0 DDAARO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000252490760 408799190 /nfs/dbraw/zinc/79/91/90/408799190.db2.gz LAHSNOIKQUZEQI-UHFFFAOYSA-N 1 0 322.372 1.598 50 0 DDAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(N(C)C)nc2)C1 ZINC000252500658 408800563 /nfs/dbraw/zinc/80/05/63/408800563.db2.gz SZXDKNCGDAVUGK-JKSUJKDBSA-N 1 0 302.422 1.590 50 0 DDAARO OCCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000252548581 408805604 /nfs/dbraw/zinc/80/56/04/408805604.db2.gz QDSIISCQSPHLQS-UHFFFAOYSA-N 1 0 310.345 1.451 50 0 DDAARO CS(=O)(=O)N1CCC[N@H+](CCn2cnc3ccccc32)CC1 ZINC000299762591 410610622 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Cc1ccnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000253393923 186304084 /nfs/dbraw/zinc/30/40/84/186304084.db2.gz HFWBZVGGUPRRBS-QGZVFWFLSA-N 1 0 318.465 1.621 50 0 DDAARO C[C@@H](SCc1ccccc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000072306582 191117374 /nfs/dbraw/zinc/11/73/74/191117374.db2.gz PZUVDPNEJXBOOM-CQSZACIVSA-N 1 0 322.474 1.881 50 0 DDAARO C[NH2+]CC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072419283 191156652 /nfs/dbraw/zinc/15/66/52/191156652.db2.gz ZKXNXDSZBLVCMD-LLVKDONJSA-N 1 0 316.327 1.405 50 0 DDAARO C[NH+](C)[C@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@@H]1O ZINC000072434426 191165355 /nfs/dbraw/zinc/16/53/55/191165355.db2.gz XODZUIQHYTZLCE-HOTGVXAUSA-N 1 0 320.433 1.137 50 0 DDAARO Cc1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000072269590 353195972 /nfs/dbraw/zinc/19/59/72/353195972.db2.gz LWEGVAVBPHLODD-QZTJIDSGSA-N 1 0 316.445 1.985 50 0 DDAARO CC(C)(C)SCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000079018942 353546876 /nfs/dbraw/zinc/54/68/76/353546876.db2.gz JVFYEMNHMQSEGD-CYBMUJFWSA-N 1 0 300.468 1.699 50 0 DDAARO CC(C)N1C(=O)N[C@]2(CC[N@@H+]([C@@H](C)c3cccnc3)C2)C1=O ZINC000084597294 353724781 /nfs/dbraw/zinc/72/47/81/353724781.db2.gz ZEAMHMUYOUHSAD-LRDDRELGSA-N 1 0 302.378 1.547 50 0 DDAARO CCn1ccnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1=O ZINC000091012130 353803443 /nfs/dbraw/zinc/80/34/43/353803443.db2.gz BDJYALFYNYWVLL-CYBMUJFWSA-N 1 0 306.410 1.176 50 0 DDAARO NS(=O)(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCc2ccccc21 ZINC000095407313 353912661 /nfs/dbraw/zinc/91/26/61/353912661.db2.gz YFYJZNJCXFUCKB-JKSUJKDBSA-N 1 0 308.447 1.859 50 0 DDAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000106178796 353938619 /nfs/dbraw/zinc/93/86/19/353938619.db2.gz IFXSRLUHLVXPNG-MCIONIFRSA-N 1 0 320.437 1.613 50 0 DDAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000107142688 353944287 /nfs/dbraw/zinc/94/42/87/353944287.db2.gz WCIONPLTLWXKGF-PRHODGIISA-N 1 0 306.790 1.708 50 0 DDAARO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1(N2CCOCC2)CCCC1 ZINC000125855616 354048127 /nfs/dbraw/zinc/04/81/27/354048127.db2.gz ZSEDJMTVUBBCSM-NEPJUHHUSA-N 1 0 310.360 1.533 50 0 DDAARO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1O ZINC000194999331 354295120 /nfs/dbraw/zinc/29/51/20/354295120.db2.gz LMZAYXRYBYWRNG-CYBMUJFWSA-N 1 0 308.422 1.678 50 0 DDAARO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2CO)c1 ZINC000195579333 354298582 /nfs/dbraw/zinc/29/85/82/354298582.db2.gz SQYHNWPUNBXUIC-UMVBOHGHSA-N 1 0 306.406 1.718 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000195576929 354298765 /nfs/dbraw/zinc/29/87/65/354298765.db2.gz OAGIPANDPOOSSY-XHSDSOJGSA-N 1 0 310.486 1.985 50 0 DDAARO CN(Cc1nccn1C)C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584886953 354790641 /nfs/dbraw/zinc/79/06/41/354790641.db2.gz AQRHKXCDHXRHSZ-CQSZACIVSA-N 1 0 319.453 1.826 50 0 DDAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCCc3ccco3)nn2)CC1 ZINC000584900343 354799658 /nfs/dbraw/zinc/79/96/58/354799658.db2.gz MRQHBVSBKNDOTC-BETUJISGSA-N 1 0 317.393 1.676 50 0 DDAARO Cc1cc(C)n2c(nnc2C(=O)NC(C)(C)C[NH+]2CCCC2)n1 ZINC000584903527 354801616 /nfs/dbraw/zinc/80/16/16/354801616.db2.gz ANKOOHFNPLNEHB-UHFFFAOYSA-N 1 0 316.409 1.345 50 0 DDAARO C[N@@H+]1CCOC[C@H](Cn2cnc3ccc(Cl)cc3c2=O)C1 ZINC000584895189 354795908 /nfs/dbraw/zinc/79/59/08/354795908.db2.gz VBGFPBWGCRDVMW-NSHDSACASA-N 1 0 307.781 1.628 50 0 DDAARO O[C@@]1(CNCc2csc(Cc3ccccc3)n2)CC[NH2+]C1 ZINC000077299801 191688151 /nfs/dbraw/zinc/68/81/51/191688151.db2.gz ORWBDRPMGRTLHU-INIZCTEOSA-N 1 0 303.431 1.548 50 0 DDAARO O=C(N[C@H]1COC2(C1)CC[NH2+]CC2)c1onc2c1CCCC2 ZINC000426534539 295910590 /nfs/dbraw/zinc/91/05/90/295910590.db2.gz XCVHGKQHJHIGDD-LLVKDONJSA-N 1 0 305.378 1.194 50 0 DDAARO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(F)ccc2F)CC1 ZINC000078595488 191891258 /nfs/dbraw/zinc/89/12/58/191891258.db2.gz BNNQBPTYYUTASV-CYBMUJFWSA-N 1 0 312.360 1.787 50 0 DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237184052 202179855 /nfs/dbraw/zinc/17/98/55/202179855.db2.gz CTCJGTVQTORXIA-OCCSQVGLSA-N 1 0 321.396 1.610 50 0 DDAARO Cc1cc(S(=O)(=O)NCCC[NH3+])sc1Br ZINC000087022493 192611890 /nfs/dbraw/zinc/61/18/90/192611890.db2.gz YDSBRQKAXWFQQY-UHFFFAOYSA-N 1 0 313.242 1.446 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000237369470 202246300 /nfs/dbraw/zinc/24/63/00/202246300.db2.gz YDHVNKZGOXPYCD-PWSUYJOCSA-N 1 0 303.362 1.217 50 0 DDAARO Cn1nccc1C1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237677885 202326663 /nfs/dbraw/zinc/32/66/63/202326663.db2.gz PKTLTYPHUCLNAI-MRXNPFEDSA-N 1 0 312.417 1.869 50 0 DDAARO C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC[NH2+]1 ZINC000237771585 202350045 /nfs/dbraw/zinc/35/00/45/202350045.db2.gz XJSFDPATETXVGB-CMPLNLGQSA-N 1 0 323.343 1.138 50 0 DDAARO [NH3+]CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000237804623 202360327 /nfs/dbraw/zinc/36/03/27/202360327.db2.gz XKTSVUXLCOPMGB-KRWDZBQOSA-N 1 0 319.424 1.987 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000237928432 202392858 /nfs/dbraw/zinc/39/28/58/202392858.db2.gz BHPZPJHTOABSFZ-NTZNESFSSA-N 1 0 308.813 1.557 50 0 DDAARO O=C(c1ccn[nH]1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000006413873 181339285 /nfs/dbraw/zinc/33/92/85/181339285.db2.gz LMGLSQFBXOVRAO-UHFFFAOYSA-N 1 0 314.433 1.992 50 0 DDAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc3c(c2)OCO3)n1 ZINC000006533261 181351117 /nfs/dbraw/zinc/35/11/17/181351117.db2.gz WRQPHYDNKLRZLG-UHFFFAOYSA-N 1 0 304.331 1.345 50 0 DDAARO CCOc1cncc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000621720175 365001839 /nfs/dbraw/zinc/00/18/39/365001839.db2.gz MUWFYEVCESWHAG-ZBFHGGJFSA-N 1 0 303.406 1.971 50 0 DDAARO C[C@](O)(C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C(F)(F)F ZINC000253396509 291341521 /nfs/dbraw/zinc/34/15/21/291341521.db2.gz IIRHUJZVOHJTSX-OLZOCXBDSA-N 1 0 310.360 1.344 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000091585610 193075906 /nfs/dbraw/zinc/07/59/06/193075906.db2.gz XRZQPNRJSNAYLN-NSHDSACASA-N 1 0 321.406 1.170 50 0 DDAARO CCCn1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000091707612 193094908 /nfs/dbraw/zinc/09/49/08/193094908.db2.gz INEMQLIEKMXOMF-HUUCEWRRSA-N 1 0 322.453 1.234 50 0 DDAARO Cc1ccc2[nH]c(C[NH2+]Cc3cc(=O)[nH]c(C)n3)cc(=O)c2c1 ZINC000091818844 193111887 /nfs/dbraw/zinc/11/18/87/193111887.db2.gz ZRDDDFJXQATRQS-UHFFFAOYSA-N 1 0 310.357 1.518 50 0 DDAARO COc1ccc(-n2ncc([C@@H](C)NC(=O)C3([NH3+])CC3)c2C)cc1 ZINC000091847117 193117294 /nfs/dbraw/zinc/11/72/94/193117294.db2.gz JORZRUYHUBKCMR-LLVKDONJSA-N 1 0 314.389 1.858 50 0 DDAARO O=C(c1cnccn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091943259 193129742 /nfs/dbraw/zinc/12/97/42/193129742.db2.gz VLSPNHDDCUGKDH-GOEBONIOSA-N 1 0 323.400 1.608 50 0 DDAARO CN(C)c1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000096483756 193665117 /nfs/dbraw/zinc/66/51/17/193665117.db2.gz UKRXGNBUOFVAIR-CYBMUJFWSA-N 1 0 304.398 1.245 50 0 DDAARO COC(=O)[C@H](NC(=O)[C@H]([NH3+])C(C)C)[C@H](C)c1ccc(O)cc1 ZINC000299804250 284284626 /nfs/dbraw/zinc/28/46/26/284284626.db2.gz LOOCZZNRPNFMNL-LERXQTSPSA-N 1 0 308.378 1.137 50 0 DDAARO COc1cc(OC)c(C(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000016580251 182050236 /nfs/dbraw/zinc/05/02/36/182050236.db2.gz ZGRCCUGLTDPXGT-UHFFFAOYSA-N 1 0 322.405 1.928 50 0 DDAARO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000019749023 182142920 /nfs/dbraw/zinc/14/29/20/182142920.db2.gz DCTBMYRYWIQVMI-OAHLLOKOSA-N 1 0 305.426 1.423 50 0 DDAARO CC(C)[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1CCO ZINC000019838754 182155792 /nfs/dbraw/zinc/15/57/92/182155792.db2.gz BVPZFQCRTJRDFR-AWEZNQCLSA-N 1 0 302.422 1.840 50 0 DDAARO O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[NH2+]CC1 ZINC000020737819 182244881 /nfs/dbraw/zinc/24/48/81/182244881.db2.gz GVQATJVFXQPZCB-LLVKDONJSA-N 1 0 307.781 1.125 50 0 DDAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCCc1ccccc1 ZINC000101674911 193834824 /nfs/dbraw/zinc/83/48/24/193834824.db2.gz SPXBGOJBFKPAFV-UHFFFAOYSA-N 1 0 301.390 1.301 50 0 DDAARO Cn1ncc(C(=O)NCCC[NH+]2CCCC2)c1-n1cccc1 ZINC000040512821 183088174 /nfs/dbraw/zinc/08/81/74/183088174.db2.gz MFORPSPWBPMQHL-UHFFFAOYSA-N 1 0 301.394 1.427 50 0 DDAARO Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000040522474 183091513 /nfs/dbraw/zinc/09/15/13/183091513.db2.gz SJERAPMFFMTARZ-ZDUSSCGKSA-N 1 0 313.405 1.790 50 0 DDAARO CC(C)Oc1ccccc1C[NH2+]CCSc1nnnn1C ZINC000040721890 183123334 /nfs/dbraw/zinc/12/33/34/183123334.db2.gz LIEIGMDHDYOIGN-UHFFFAOYSA-N 1 0 307.423 1.879 50 0 DDAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 ZINC000106577559 194232576 /nfs/dbraw/zinc/23/25/76/194232576.db2.gz AMSPFUGQZXZYAY-DLBZAZTESA-N 1 0 300.402 1.768 50 0 DDAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000057456765 184039147 /nfs/dbraw/zinc/03/91/47/184039147.db2.gz JNEKDFZFRVTCIW-KBPBESRZSA-N 1 0 324.446 1.257 50 0 DDAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N(C)C ZINC000058169160 184083934 /nfs/dbraw/zinc/08/39/34/184083934.db2.gz JVGRHSBULNFRFZ-GOEBONIOSA-N 1 0 317.433 1.492 50 0 DDAARO O=C(NCC[NH+]1CCCC1)NC[C@H]1COc2ccccc2O1 ZINC000058297118 184102461 /nfs/dbraw/zinc/10/24/61/184102461.db2.gz OCBKLHDPPFUKME-ZDUSSCGKSA-N 1 0 305.378 1.221 50 0 DDAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1nnc2ccccc2c1=O ZINC000058315216 184104555 /nfs/dbraw/zinc/10/45/55/184104555.db2.gz SZXIRKBHTMMGCH-OAHLLOKOSA-N 1 0 324.384 1.284 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)COc2ccccc2)c(C)nn1C ZINC000058323904 184105405 /nfs/dbraw/zinc/10/54/05/184105405.db2.gz JZJURNYACXIOBR-ZDUSSCGKSA-N 1 0 305.378 1.267 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000058421094 184115980 /nfs/dbraw/zinc/11/59/80/184115980.db2.gz KPRTZZFNTPGQKT-CQSZACIVSA-N 1 0 302.426 1.695 50 0 DDAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1=NNC(=O)CC1 ZINC000063855920 184289695 /nfs/dbraw/zinc/28/96/95/184289695.db2.gz NXMXJDBUXJINPA-UHFFFAOYSA-N 1 0 308.426 1.365 50 0 DDAARO CCOCC[N@@H+]1CCC=C(CN2CCN(C(=O)CC)CC2)C1 ZINC000065396027 184335055 /nfs/dbraw/zinc/33/50/55/184335055.db2.gz RHOSFYODSFSSBW-UHFFFAOYSA-N 1 0 309.454 1.209 50 0 DDAARO COc1ccc(F)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000065365749 184329250 /nfs/dbraw/zinc/32/92/50/184329250.db2.gz ZYHHFZWSXIRKRG-UHFFFAOYSA-N 1 0 302.371 1.207 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC000065403895 184337405 /nfs/dbraw/zinc/33/74/05/184337405.db2.gz KGECQLOUYAJFPO-UHFFFAOYSA-N 1 0 321.469 1.314 50 0 DDAARO COc1ccccc1CCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000065405936 184338784 /nfs/dbraw/zinc/33/87/84/184338784.db2.gz TYBKQDFSQPNAKA-HZPDHXFCSA-N 1 0 320.433 1.495 50 0 DDAARO COc1ccc(O)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000065526071 184359796 /nfs/dbraw/zinc/35/97/96/184359796.db2.gz XOXORMLZJWYZEZ-UHFFFAOYSA-N 1 0 304.390 1.959 50 0 DDAARO COc1cc2c(cc1C[NH2+]C[C@@H]1CN(C)CCO1)O[C@H](C)C2 ZINC000065611287 184373031 /nfs/dbraw/zinc/37/30/31/184373031.db2.gz NATVBFDLAFDMRR-IUODEOHRSA-N 1 0 306.406 1.439 50 0 DDAARO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccs2)CCCC1 ZINC000065593063 184370440 /nfs/dbraw/zinc/37/04/40/184370440.db2.gz OGLXNKBQPGFMQY-NSHDSACASA-N 1 0 309.435 1.994 50 0 DDAARO CC1(C)C[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C(C)(C)O1 ZINC000119833535 195045708 /nfs/dbraw/zinc/04/57/08/195045708.db2.gz OZSACOHMTGFDCK-JSGCOSHPSA-N 1 0 301.427 1.479 50 0 DDAARO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157708444 197209704 /nfs/dbraw/zinc/20/97/04/197209704.db2.gz CWZXLBNQVVTTKZ-CYBMUJFWSA-N 1 0 301.394 1.884 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCOCC1CCOCC1 ZINC000077043522 285194822 /nfs/dbraw/zinc/19/48/22/285194822.db2.gz GSPWNKFIKBNBNV-MRXNPFEDSA-N 1 0 312.454 1.810 50 0 DDAARO CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000155141836 197025928 /nfs/dbraw/zinc/02/59/28/197025928.db2.gz XDBDSNRPHQEVFA-GFCCVEGCSA-N 1 0 310.419 1.303 50 0 DDAARO O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCCCC1 ZINC000000351432 285307410 /nfs/dbraw/zinc/30/74/10/285307410.db2.gz VTZUPRNGLZGTHN-CABCVRRESA-N 1 0 307.390 1.690 50 0 DDAARO Cc1csc([C@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)n1 ZINC000219785727 257273844 /nfs/dbraw/zinc/27/38/44/257273844.db2.gz HBKMIABATAFJEH-LBPRGKRZSA-N 1 0 310.467 1.655 50 0 DDAARO COCCCn1cnnc1[C@@H](C)NC(=O)C1(C)CC[NH+](C)CC1 ZINC000097744983 292384978 /nfs/dbraw/zinc/38/49/78/292384978.db2.gz UFMZGNGCPZIMIE-CYBMUJFWSA-N 1 0 323.441 1.224 50 0 DDAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(C(N)=O)CC3)c2c1 ZINC000000541326 406656497 /nfs/dbraw/zinc/65/64/97/406656497.db2.gz FJZUZOCUFLPYJD-MRXNPFEDSA-N 1 0 317.389 1.407 50 0 DDAARO Cc1cc(C)n(C[C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000069351302 406700783 /nfs/dbraw/zinc/70/07/83/406700783.db2.gz USOVMBDRPBDOKQ-MRXNPFEDSA-N 1 0 307.438 1.896 50 0 DDAARO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCN1Cc1nccn1C ZINC000069598216 406743585 /nfs/dbraw/zinc/74/35/85/406743585.db2.gz IAVWJPCIVUYSCI-RDJZCZTQSA-N 1 0 314.433 1.660 50 0 DDAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCCCn1cccn1 ZINC000069621380 406745514 /nfs/dbraw/zinc/74/55/14/406745514.db2.gz SPPHNPFGCFRETG-QGZVFWFLSA-N 1 0 312.417 1.879 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000069704308 406760851 /nfs/dbraw/zinc/76/08/51/406760851.db2.gz OMFDHIBZJFDBRD-AWEZNQCLSA-N 1 0 307.419 1.644 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)no1 ZINC000069738795 406761739 /nfs/dbraw/zinc/76/17/39/406761739.db2.gz UPTHENIZKLCUGW-ZDUSSCGKSA-N 1 0 318.381 1.315 50 0 DDAARO CCCOc1ccc([C@]2(C)NC(=O)N(CC[NH+](C)C)C2=O)cc1 ZINC000003208106 406714093 /nfs/dbraw/zinc/71/40/93/406714093.db2.gz PBHHYBOACNKZOZ-KRWDZBQOSA-N 1 0 319.405 1.804 50 0 DDAARO C[C@H](C(=O)Nc1ncccn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069508975 406725931 /nfs/dbraw/zinc/72/59/31/406725931.db2.gz QXDITYSGOXYZMT-CQSZACIVSA-N 1 0 317.437 1.611 50 0 DDAARO CCc1nc2n(n1)C[C@H]([NH2+]CCC(=O)Nc1cc(C)on1)CC2 ZINC000069819507 406779096 /nfs/dbraw/zinc/77/90/96/406779096.db2.gz MGWIITXDORKPLB-LLVKDONJSA-N 1 0 318.381 1.070 50 0 DDAARO Cn1c(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc(=O)n(C)c1=O ZINC000008769481 406794626 /nfs/dbraw/zinc/79/46/26/406794626.db2.gz VYTSBZUTJDYJPE-MRXNPFEDSA-N 1 0 313.401 1.593 50 0 DDAARO C[C@H](CN1CC[NH+](C)CC1)Nc1ncnc2ccc(F)cc21 ZINC000069897657 406788084 /nfs/dbraw/zinc/78/80/84/406788084.db2.gz WSALHKCTZMMAKM-GFCCVEGCSA-N 1 0 303.385 1.817 50 0 DDAARO Cc1cnn(CC[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000070005381 406801718 /nfs/dbraw/zinc/80/17/18/406801718.db2.gz SRBBEPLHIYCPNX-UHFFFAOYSA-N 1 0 300.406 1.818 50 0 DDAARO Cc1ccc(CC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000070016253 406803396 /nfs/dbraw/zinc/80/33/96/406803396.db2.gz VKNLIPHMJAOLRS-INIZCTEOSA-N 1 0 319.449 1.484 50 0 DDAARO CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CC[NH2+]C1 ZINC000179047900 306690307 /nfs/dbraw/zinc/69/03/07/306690307.db2.gz NHFDIQKOHKDAFB-NSHDSACASA-N 1 0 323.780 1.458 50 0 DDAARO OCC[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000069977711 406798290 /nfs/dbraw/zinc/79/82/90/406798290.db2.gz 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406856002 /nfs/dbraw/zinc/85/60/02/406856002.db2.gz SQJYCVSUVNEAAO-UYSNPLJNSA-N 1 0 309.406 1.466 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000071874838 406858489 /nfs/dbraw/zinc/85/84/89/406858489.db2.gz RQLKEIWBIAXSJP-NSHDSACASA-N 1 0 307.785 1.857 50 0 DDAARO COc1ccccc1OCC(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013691076 406865915 /nfs/dbraw/zinc/86/59/15/406865915.db2.gz XYFMBRHSWOJHIJ-UHFFFAOYSA-N 1 0 320.389 1.355 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 ZINC000071997603 406872009 /nfs/dbraw/zinc/87/20/09/406872009.db2.gz JWDOSFPLJGTHDX-INIZCTEOSA-N 1 0 323.481 1.574 50 0 DDAARO CC(C)[NH+]1CCC(NS(=O)(=O)c2cccc3nonc32)CC1 ZINC000014252534 406874829 /nfs/dbraw/zinc/87/48/29/406874829.db2.gz PKFNDUHCFURSDS-UHFFFAOYSA-N 1 0 324.406 1.374 50 0 DDAARO COc1ccc(OC)c([C@H](O)C[NH2+]CCn2cc(C)cn2)c1 ZINC000072253128 406875119 /nfs/dbraw/zinc/87/51/19/406875119.db2.gz UFDNHZLRGDIMJG-OAHLLOKOSA-N 1 0 305.378 1.532 50 0 DDAARO CC[NH+]1CCN(c2ncc(C(=O)NCC(C)C)c(C)n2)CC1 ZINC000015778164 406882094 /nfs/dbraw/zinc/88/20/94/406882094.db2.gz LALVTEAEIQEVKJ-UHFFFAOYSA-N 1 0 305.426 1.313 50 0 DDAARO [NH2+]=C1NC(Nc2ccc(F)cc2)=N[C@]2(N1)C(=O)Nc1ccccc12 ZINC000019327176 406884525 /nfs/dbraw/zinc/88/45/25/406884525.db2.gz LHKBHIZVLYMZQK-INIZCTEOSA-N 1 0 324.319 1.317 50 0 DDAARO C[C@H](CNC(=O)N[C@@H](C)c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000073897790 406897362 /nfs/dbraw/zinc/89/73/62/406897362.db2.gz IHAIYAIZLCPTME-KGLIPLIRSA-N 1 0 307.442 1.901 50 0 DDAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC(C)(C)CC1 ZINC000074134101 406902954 /nfs/dbraw/zinc/90/29/54/406902954.db2.gz GEAKTQRGFNQNIU-OAHLLOKOSA-N 1 0 310.486 1.844 50 0 DDAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2ccccn2)c1=O ZINC000071762031 406842825 /nfs/dbraw/zinc/84/28/25/406842825.db2.gz FHYOBPDBMOZSBP-UHFFFAOYSA-N 1 0 301.394 1.050 50 0 DDAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCc1ccncc1 ZINC000028727066 406918537 /nfs/dbraw/zinc/91/85/37/406918537.db2.gz MJUJQUWZJXJRJR-CYBMUJFWSA-N 1 0 319.430 1.965 50 0 DDAARO O=C(C[N@H+]1CCC[C@H](CO)C1)NCCOc1ccc(F)cc1 ZINC000075617382 406936844 /nfs/dbraw/zinc/93/68/44/406936844.db2.gz ZTDBTAMZWUBCTE-ZDUSSCGKSA-N 1 0 310.369 1.025 50 0 DDAARO CC(C)C[NH+]1CCN(CC(=O)Nc2cccc3nonc32)CC1 ZINC000032578592 406950032 /nfs/dbraw/zinc/95/00/32/406950032.db2.gz BPXQAWHVESHWMO-UHFFFAOYSA-N 1 0 317.393 1.435 50 0 DDAARO O=C(Cn1ccccc1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045076665 407038456 /nfs/dbraw/zinc/03/84/56/407038456.db2.gz DYAKUTWRIBFXLZ-UHFFFAOYSA-N 1 0 311.385 1.023 50 0 DDAARO CC/C(C)=C/CC[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077287852 406982844 /nfs/dbraw/zinc/98/28/44/406982844.db2.gz MAKYHNDPULAVOR-YOMXJOFGSA-N 1 0 317.433 1.993 50 0 DDAARO C[C@H](C1CCN(C(=O)c2ccncc2)CC1)[NH+]1CCN(C)CC1 ZINC000077286389 406983160 /nfs/dbraw/zinc/98/31/60/406983160.db2.gz OIPFVXBMALCXCS-OAHLLOKOSA-N 1 0 316.449 1.570 50 0 DDAARO Cn1ncc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)c1C1CC1 ZINC000077319143 406984675 /nfs/dbraw/zinc/98/46/75/406984675.db2.gz XVXTUYFTZGQTAG-SFHVURJKSA-N 1 0 318.465 1.720 50 0 DDAARO COC(=O)CCCC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000077358092 406986655 /nfs/dbraw/zinc/98/66/55/406986655.db2.gz KUVNIDLIXBDXOC-UHFFFAOYSA-N 1 0 319.405 1.690 50 0 DDAARO CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000084747622 407094155 /nfs/dbraw/zinc/09/41/55/407094155.db2.gz BUSAGCDVARGIMP-CYBMUJFWSA-N 1 0 310.419 1.432 50 0 DDAARO Cc1cc(C)cc(C(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)c1 ZINC000085469793 407102621 /nfs/dbraw/zinc/10/26/21/407102621.db2.gz FGUJTAZEWYPHFY-INIZCTEOSA-N 1 0 306.406 1.069 50 0 DDAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)c2ccccn2)[nH+]1 ZINC000085472154 407102827 /nfs/dbraw/zinc/10/28/27/407102827.db2.gz KYLUQKCYSKBILZ-UHFFFAOYSA-N 1 0 322.372 1.813 50 0 DDAARO Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)[nH+]1 ZINC000082107600 407081208 /nfs/dbraw/zinc/08/12/08/407081208.db2.gz ZFKATQWQYNIKMD-UHFFFAOYSA-N 1 0 324.388 1.770 50 0 DDAARO Cc1ccc(C[C@H]2CCC[N@H+](CCC(=O)NC(N)=O)C2)cc1 ZINC000051063821 407134196 /nfs/dbraw/zinc/13/41/96/407134196.db2.gz NJUMZEGFZKOAHI-OAHLLOKOSA-N 1 0 303.406 1.835 50 0 DDAARO CC[NH+](CC)CC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000051589527 407140745 /nfs/dbraw/zinc/14/07/45/407140745.db2.gz GLIZTTSVXBJYKY-OAHLLOKOSA-N 1 0 323.437 1.419 50 0 DDAARO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089926183 407158537 /nfs/dbraw/zinc/15/85/37/407158537.db2.gz ACNVHLPIGGOHMZ-UKRRQHHQSA-N 1 0 322.453 1.422 50 0 DDAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccoc2C)C1 ZINC000091943698 407184074 /nfs/dbraw/zinc/18/40/74/407184074.db2.gz OHMHBVOBIWNOLO-HUUCEWRRSA-N 1 0 324.421 1.237 50 0 DDAARO CNC(=O)CCCNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095371797 407210516 /nfs/dbraw/zinc/21/05/16/407210516.db2.gz ANJYUJGVAPXPKH-HNNXBMFYSA-N 1 0 303.406 1.410 50 0 DDAARO CN(C)c1ncccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000056689705 407210751 /nfs/dbraw/zinc/21/07/51/407210751.db2.gz PBOUZSYSYFMYPS-UHFFFAOYSA-N 1 0 302.422 1.848 50 0 DDAARO CN(C)C(=O)CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095375071 407211117 /nfs/dbraw/zinc/21/11/17/407211117.db2.gz QMUBCNQOAZKLIN-DLBZAZTESA-N 1 0 301.434 1.671 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3c(=O)[nH]2)C1 ZINC000095381573 407211524 /nfs/dbraw/zinc/21/15/24/407211524.db2.gz MIPPRVHQXCBLSS-GFCCVEGCSA-N 1 0 302.378 1.446 50 0 DDAARO CN1CCCCC[C@@H]1c1nc(CCN2CC[NH+](C)CC2)no1 ZINC000095381010 407212393 /nfs/dbraw/zinc/21/23/93/407212393.db2.gz CKUDUZHZQUGGTP-CQSZACIVSA-N 1 0 307.442 1.406 50 0 DDAARO CC[C@H](C(=O)N1CCN([C@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943420 407216150 /nfs/dbraw/zinc/21/61/50/407216150.db2.gz SDLMMNAJJPNOFN-GDBMZVCRSA-N 1 0 304.438 1.627 50 0 DDAARO CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000095971040 407218721 /nfs/dbraw/zinc/21/87/21/407218721.db2.gz CHNPGWPGDDZWLT-MRXNPFEDSA-N 1 0 317.433 1.925 50 0 DDAARO C[N@H+](CC(=O)NCCc1ccc2c(c1)CCO2)[C@H]1CCSC1 ZINC000095978714 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Cc1nonc1CN(C)CC1(c2ccc(C)cn2)CC[NH2+]CC1 ZINC000065395021 407242922 /nfs/dbraw/zinc/24/29/22/407242922.db2.gz XBZYEZJQDVGXLG-UHFFFAOYSA-N 1 0 315.421 1.835 50 0 DDAARO CCCOCCN1CCN(c2cc(C)[nH+]c(N(C)C)n2)CC1 ZINC000065451166 407243133 /nfs/dbraw/zinc/24/31/33/407243133.db2.gz QBMOJFARXPLYMJ-UHFFFAOYSA-N 1 0 307.442 1.400 50 0 DDAARO C[NH+](C)C(C)(C)CNC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000065452876 407243794 /nfs/dbraw/zinc/24/37/94/407243794.db2.gz XYXKOVJZDXJSOZ-UHFFFAOYSA-N 1 0 321.425 1.380 50 0 DDAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 ZINC000065512916 407244117 /nfs/dbraw/zinc/24/41/17/407244117.db2.gz AMSPFUGQZXZYAY-SJORKVTESA-N 1 0 300.402 1.768 50 0 DDAARO CCNC(=O)NC(=O)C[N@H+](C)CCCc1ccc(OC)cc1 ZINC000065608736 407245045 /nfs/dbraw/zinc/24/50/45/407245045.db2.gz SBMAUOCQGHNNAC-UHFFFAOYSA-N 1 0 307.394 1.405 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000096428767 407265074 /nfs/dbraw/zinc/26/50/74/407265074.db2.gz MOQNTXFFKGRGMZ-KBPBESRZSA-N 1 0 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COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(S(C)(=O)=O)CC2 ZINC000169789896 697346351 /nfs/dbraw/zinc/34/63/51/697346351.db2.gz HJJXTWRKARTJDV-ZDUSSCGKSA-N 1 0 316.467 1.159 50 0 DDAARO C[C@@H]1CN(CCN2CCN(c3cccs3)C(=O)C2)CCO1 ZINC000192800747 697640200 /nfs/dbraw/zinc/64/02/00/697640200.db2.gz KAWPSCMTJCHHNC-CYBMUJFWSA-N 1 0 309.435 1.117 50 0 DDAARO Cc1ncc(CO)c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000322518248 698735285 /nfs/dbraw/zinc/73/52/85/698735285.db2.gz RWJJGYAOGPKDET-HNNXBMFYSA-N 1 0 318.421 1.989 50 0 DDAARO OCC[NH+](CCO)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000864091426 706065533 /nfs/dbraw/zinc/06/55/33/706065533.db2.gz UWRVQOYYNKJFEZ-GXTWGEPZSA-N 1 0 319.323 1.455 50 0 DDAARO [NH3+][C@@H](CO)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000888096210 709212235 /nfs/dbraw/zinc/21/22/35/709212235.db2.gz XUATWGUDFNQEBA-AAEUAGOBSA-N 1 0 312.797 1.277 50 0 DDAARO CC[C@@H]1C(=O)NCC[N@H+]1CCCCCNC(=O)OC(C)(C)C ZINC000888101232 709213677 /nfs/dbraw/zinc/21/36/77/709213677.db2.gz WKTHTFOIECSYSR-CYBMUJFWSA-N 1 0 313.442 1.892 50 0 DDAARO O=C(NC[C@H]1C[NH2+]Cc2ccccc21)[C@@H]1CCn2ccnc2C1 ZINC000888101003 709213713 /nfs/dbraw/zinc/21/37/13/709213713.db2.gz NGGHJTXUMDRAIZ-UKRRQHHQSA-N 1 0 310.401 1.449 50 0 DDAARO [NH3+]CCN(C1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000675019253 737520412 /nfs/dbraw/zinc/52/04/12/737520412.db2.gz KODXDMIYAXMRHZ-UHFFFAOYSA-N 1 0 320.361 1.093 50 0 DDAARO CO[C@H]1C[N@H+](C2CCN(C(=O)C3CCC3)CC2)C12CCOCC2 ZINC000581802429 761708698 /nfs/dbraw/zinc/70/86/98/761708698.db2.gz KEVQWSWHGMIYQM-INIZCTEOSA-N 1 0 322.449 1.657 50 0 DDAARO CC(C)(C)OC(=O)NCC1(C[N@@H+]2CC[C@@H](C(N)=O)C2)CCC1 ZINC000585086174 771934431 /nfs/dbraw/zinc/93/44/31/771934431.db2.gz WOCAHCWDYOJNIC-GFCCVEGCSA-N 1 0 311.426 1.489 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000585133696 771963053 /nfs/dbraw/zinc/96/30/53/771963053.db2.gz REZJBGDVEJSVCO-QGZVFWFLSA-N 1 0 310.397 1.872 50 0 DDAARO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COCCO1 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CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000077124610 185111066 /nfs/dbraw/zinc/11/10/66/185111066.db2.gz OMLOIXZYAUCMSC-INIZCTEOSA-N 1 0 317.433 1.579 50 0 DDAARO CC(=O)N(CCC(=O)N[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000078978673 185138652 /nfs/dbraw/zinc/13/86/52/185138652.db2.gz QZIXYEDVWIWEIS-QGZVFWFLSA-N 1 0 317.433 1.636 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]1COc1ccccc1)NC[C@@H]1CCCO1 ZINC000079100075 185158186 /nfs/dbraw/zinc/15/81/86/185158186.db2.gz SKVLEFCXHCVSAW-WBVHZDCISA-N 1 0 318.417 1.825 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000082316202 185175794 /nfs/dbraw/zinc/17/57/94/185175794.db2.gz LLIWYVMCSHHRFA-HNNXBMFYSA-N 1 0 317.437 1.390 50 0 DDAARO [NH3+][C@@H]1CCN(Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@H]1O ZINC000082121812 192359109 /nfs/dbraw/zinc/35/91/09/192359109.db2.gz RIINPGQKXFAULJ-IUODEOHRSA-N 1 0 307.781 1.075 50 0 DDAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cc(C(C)C)on2)C1 ZINC000082146597 192361620 /nfs/dbraw/zinc/36/16/20/192361620.db2.gz KZFFLVNTSQXOEB-CYBMUJFWSA-N 1 0 309.410 1.886 50 0 DDAARO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[N@H+](C)CC1 ZINC000095442122 185366396 /nfs/dbraw/zinc/36/63/96/185366396.db2.gz CQJINMPELDAENB-OAHLLOKOSA-N 1 0 318.421 1.000 50 0 DDAARO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cnc(N3CCOCC3)nc2)C1(C)C ZINC000095463785 185371585 /nfs/dbraw/zinc/37/15/85/185371585.db2.gz AEOIXTNIYUHBGU-NWANDNLSSA-N 1 0 320.437 1.462 50 0 DDAARO C[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000097016729 185397632 /nfs/dbraw/zinc/39/76/32/185397632.db2.gz VWYCOXLUKNYXBZ-LBPRGKRZSA-N 1 0 315.377 1.363 50 0 DDAARO COCCOc1ncccc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000095469070 185372355 /nfs/dbraw/zinc/37/23/55/185372355.db2.gz VDAPNXPWMXAEIA-CYBMUJFWSA-N 1 0 319.405 1.487 50 0 DDAARO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCn2cccn2)c1 ZINC000089514720 290795043 /nfs/dbraw/zinc/79/50/43/290795043.db2.gz BTBDRNIRWYXVTO-GFCCVEGCSA-N 1 0 308.407 1.142 50 0 DDAARO COc1ccsc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000584908818 539555722 /nfs/dbraw/zinc/55/57/22/539555722.db2.gz VCYHGRISTSGOAR-NXEZZACHSA-N 1 0 304.437 1.518 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000072149199 191054794 /nfs/dbraw/zinc/05/47/94/191054794.db2.gz XWVHXONLYGVAOL-KRWDZBQOSA-N 1 0 302.422 1.842 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1Br ZINC000149091538 186047931 /nfs/dbraw/zinc/04/79/31/186047931.db2.gz XIMWALCPHCYWHE-YGOYTEALSA-N 1 0 313.195 1.349 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)o1 ZINC000072241102 191084814 /nfs/dbraw/zinc/08/48/14/191084814.db2.gz ABJHMMOMPLEHGA-HNNXBMFYSA-N 1 0 321.421 1.537 50 0 DDAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)CC1 ZINC000072270896 191094267 /nfs/dbraw/zinc/09/42/67/191094267.db2.gz UZTMMRCXDRMNFJ-OAHLLOKOSA-N 1 0 324.469 1.228 50 0 DDAARO CC[C@@H]1CN(Cc2cn3ccccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000072279705 191100736 /nfs/dbraw/zinc/10/07/36/191100736.db2.gz DDOKKJJBJLGXJR-GDBMZVCRSA-N 1 0 302.422 1.611 50 0 DDAARO Nc1nc2c(c(N3CCC(c4ccncc4)CC3)n1)CC[NH2+]CC2 ZINC000072429379 191163458 /nfs/dbraw/zinc/16/34/58/191163458.db2.gz CVPHEBSXJPBCKI-UHFFFAOYSA-N 1 0 324.432 1.526 50 0 DDAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCC[NH+](C)C ZINC000072680633 191212620 /nfs/dbraw/zinc/21/26/20/191212620.db2.gz IGMJMPTWENVCPP-ZDUSSCGKSA-N 1 0 311.451 1.570 50 0 DDAARO CSCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC000078896273 353538489 /nfs/dbraw/zinc/53/84/89/353538489.db2.gz KXMYPEYMJDTHJJ-ZBFHGGJFSA-N 1 0 313.511 1.614 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000195544795 354296787 /nfs/dbraw/zinc/29/67/87/354296787.db2.gz OUXOKMCKYSLFMR-QWRGUYRKSA-N 1 0 306.259 1.561 50 0 DDAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000195554096 354296948 /nfs/dbraw/zinc/29/69/48/354296948.db2.gz NSUPXPFIBSFYTQ-SJORKVTESA-N 1 0 311.385 1.774 50 0 DDAARO CC(C)[NH+](CCN(C)S(=O)(=O)[C@H]1CCO[C@@H]1C)C(C)C ZINC000195574585 354297666 /nfs/dbraw/zinc/29/76/66/354297666.db2.gz VELHOIDDAMVEAZ-KGLIPLIRSA-N 1 0 306.472 1.544 50 0 DDAARO CCC[C@H](CC)S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000225550314 354318196 /nfs/dbraw/zinc/31/81/96/354318196.db2.gz WCOVRGAZNPYKDY-GJZGRUSLSA-N 1 0 320.499 1.841 50 0 DDAARO CC1(C)[C@H]([NH2+]CCS(=O)(=O)NCC2CCC2)[C@@H]2CCO[C@H]21 ZINC000253369400 354386879 /nfs/dbraw/zinc/38/68/79/354386879.db2.gz CCMNLGNBYDHHHM-BFHYXJOUSA-N 1 0 316.467 1.109 50 0 DDAARO O=c1c2cnccc2ncn1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000584901929 354800517 /nfs/dbraw/zinc/80/05/17/354800517.db2.gz WVFWHDAXQNYRDI-CQSZACIVSA-N 1 0 314.389 1.607 50 0 DDAARO Cc1nn(C[C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c(=O)o1 ZINC000585141261 354814827 /nfs/dbraw/zinc/81/48/27/354814827.db2.gz SHEJGUPHQQLMJK-WOSRLPQWSA-N 1 0 318.421 1.814 50 0 DDAARO C[C@@H](C[NH+]1CCCCC1)NCc1nnc(-c2ccncc2)[nH]1 ZINC000584891770 354794639 /nfs/dbraw/zinc/79/46/39/354794639.db2.gz KMPQLTHQUOPUMZ-ZDUSSCGKSA-N 1 0 300.410 1.831 50 0 DDAARO Cc1nn(C[C@H](C)[NH2+]CC2(CO)CCOCC2)c(C)c1Cl ZINC000584894441 354796128 /nfs/dbraw/zinc/79/61/28/354796128.db2.gz XVKFAJXJIHDFLV-NSHDSACASA-N 1 0 315.845 1.921 50 0 DDAARO CCOC(C)(C)C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000584897014 354796938 /nfs/dbraw/zinc/79/69/38/354796938.db2.gz LNKMDHOVRVNQQI-OAHLLOKOSA-N 1 0 309.454 1.040 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000237135813 202163277 /nfs/dbraw/zinc/16/32/77/202163277.db2.gz KDMITYYFELZTQS-AWEZNQCLSA-N 1 0 321.396 1.486 50 0 DDAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237591551 202295691 /nfs/dbraw/zinc/29/56/91/202295691.db2.gz MBSMEVSZRSRHIJ-JTQLQIEISA-N 1 0 319.796 1.663 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000237708617 202333463 /nfs/dbraw/zinc/33/34/63/202333463.db2.gz GWAALQLWGZMNJT-MRVPVSSYSA-N 1 0 308.325 1.382 50 0 DDAARO Cc1noc(COc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000237690992 202328331 /nfs/dbraw/zinc/32/83/31/202328331.db2.gz YRKAACPXJVNFMP-LLVKDONJSA-N 1 0 302.334 1.505 50 0 DDAARO C[C@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CC[NH2+]1 ZINC000237727576 202339845 /nfs/dbraw/zinc/33/98/45/202339845.db2.gz FJRXAGMNHWIJEX-LBPRGKRZSA-N 1 0 301.390 1.324 50 0 DDAARO COc1ccc(C)cc1-n1ccc(C(=O)N2CC[NH2+][C@H](C)C2)n1 ZINC000188444802 200247493 /nfs/dbraw/zinc/24/74/93/200247493.db2.gz VHFSCIOGVOLNRP-CYBMUJFWSA-N 1 0 314.389 1.623 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000237403973 296024259 /nfs/dbraw/zinc/02/42/59/296024259.db2.gz ZPFFROJXBAXDOK-PWSUYJOCSA-N 1 0 312.391 1.306 50 0 DDAARO Cc1ccc([C@H](C)NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cn1 ZINC000244774030 202495075 /nfs/dbraw/zinc/49/50/75/202495075.db2.gz PMUDEFFYCLWNMR-ZDUSSCGKSA-N 1 0 318.421 1.155 50 0 DDAARO CCCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCCC2)[nH]n1 ZINC000091351113 193044977 /nfs/dbraw/zinc/04/49/77/193044977.db2.gz FEWUIAVHXQBRAH-AWEZNQCLSA-N 1 0 308.426 1.329 50 0 DDAARO CC[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)n1cccn1 ZINC000091595967 193077547 /nfs/dbraw/zinc/07/75/47/193077547.db2.gz ILZSWQFXNPHNDX-MRXNPFEDSA-N 1 0 320.437 1.594 50 0 DDAARO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(F)c1 ZINC000091486739 193063465 /nfs/dbraw/zinc/06/34/65/193063465.db2.gz IVEHOZQPWHFEEL-HZPDHXFCSA-N 1 0 310.413 1.099 50 0 DDAARO Cc1cc(C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)n(C)n1 ZINC000091655971 193085798 /nfs/dbraw/zinc/08/57/98/193085798.db2.gz WJDHMIHVGVZHPE-UHFFFAOYSA-N 1 0 300.337 1.999 50 0 DDAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(C4CC4)C3)n2)CC1 ZINC000091694264 193093184 /nfs/dbraw/zinc/09/31/84/193093184.db2.gz BXSFNXYHEYBLKA-CYBMUJFWSA-N 1 0 318.421 1.822 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@@H]1CO ZINC000091706647 193094816 /nfs/dbraw/zinc/09/48/16/193094816.db2.gz UEAIXMUFMTXJOE-HZPDHXFCSA-N 1 0 305.422 1.041 50 0 DDAARO COc1cc2c(cc1C(=O)N1C[C@H]([NH3+])[C@@H](C3CC3)C1)CCC2 ZINC000091713082 193096008 /nfs/dbraw/zinc/09/60/08/193096008.db2.gz WOLPNTYFRHGKSY-CVEARBPZSA-N 1 0 300.402 1.993 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091858335 193118906 /nfs/dbraw/zinc/11/89/06/193118906.db2.gz NGGTYFOPJYBCMA-OAHLLOKOSA-N 1 0 321.396 1.243 50 0 DDAARO Cn1cc(C[NH2+]CCCSc2nnnn2C)c2ccccc21 ZINC000261492169 203072384 /nfs/dbraw/zinc/07/23/84/203072384.db2.gz SIBGJNRLNYYVBI-UHFFFAOYSA-N 1 0 316.434 1.974 50 0 DDAARO Cc1cc(C)n(CCC[NH+]2CCC(n3cc(CO)nn3)CC2)n1 ZINC000019226498 182107949 /nfs/dbraw/zinc/10/79/49/182107949.db2.gz WMYNGNMFLJFABY-UHFFFAOYSA-N 1 0 318.425 1.311 50 0 DDAARO Cc1noc(C)c1CCN1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000019840456 182155695 /nfs/dbraw/zinc/15/56/95/182155695.db2.gz NPCQKEVSNAAEFG-INIZCTEOSA-N 1 0 307.438 1.755 50 0 DDAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000020168810 182194461 /nfs/dbraw/zinc/19/44/61/182194461.db2.gz KMEOUBCBKUSENQ-ZDUSSCGKSA-N 1 0 304.346 1.493 50 0 DDAARO CC(=O)c1c(C)nn(CC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000020780947 182246811 /nfs/dbraw/zinc/24/68/11/182246811.db2.gz CKXXNTAYPSVIGQ-OAHLLOKOSA-N 1 0 318.421 1.399 50 0 DDAARO CCC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000021018508 182261216 /nfs/dbraw/zinc/26/12/16/182261216.db2.gz WCKCPRKRXYAQJH-QGZVFWFLSA-N 1 0 315.417 1.518 50 0 DDAARO Nc1nccnc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022464037 182322015 /nfs/dbraw/zinc/32/20/15/182322015.db2.gz LOLDVTLAVJTECT-CQSZACIVSA-N 1 0 311.389 1.626 50 0 DDAARO CCN(CC)CC[NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000022925511 182341273 /nfs/dbraw/zinc/34/12/73/182341273.db2.gz KQMXQQRQVVHHTP-HNNXBMFYSA-N 1 0 324.421 1.224 50 0 DDAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(C)=O)ccc21 ZINC000022936084 182342387 /nfs/dbraw/zinc/34/23/87/182342387.db2.gz WRKBCXQRQBEDHA-UHFFFAOYSA-N 1 0 315.421 1.762 50 0 DDAARO Cc1nc(NCCSc2c[nH]nn2)cc(C2CC[NH2+]CC2)n1 ZINC000039442274 183018322 /nfs/dbraw/zinc/01/83/22/183018322.db2.gz BVEBJINARRNLSQ-UHFFFAOYSA-N 1 0 319.438 1.574 50 0 DDAARO Cn1cc([C@@H]2OCC[C@H]2NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000333587166 249032445 /nfs/dbraw/zinc/03/24/45/249032445.db2.gz OQDAGFRMQMCCGC-RDBSUJKOSA-N 1 0 306.410 1.145 50 0 DDAARO C[C@@H](c1nccs1)N1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000333841301 249124280 /nfs/dbraw/zinc/12/42/80/249124280.db2.gz OHUYDTNGJYPYCI-AAEUAGOBSA-N 1 0 308.451 1.476 50 0 DDAARO C[C@@H](CNC(=O)NCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000040554355 183101175 /nfs/dbraw/zinc/10/11/75/183101175.db2.gz GDWCPXLZSXPCNF-HNNXBMFYSA-N 1 0 304.438 1.369 50 0 DDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000041442640 183191416 /nfs/dbraw/zinc/19/14/16/183191416.db2.gz JTVRYRQBOAKDNC-UHFFFAOYSA-N 1 0 319.449 1.761 50 0 DDAARO O=C(COc1ccc(Br)cc1F)N1CC[NH2+]CC1 ZINC000043404102 183359161 /nfs/dbraw/zinc/35/91/61/183359161.db2.gz DFPFRUBYXNTFSK-UHFFFAOYSA-N 1 0 317.158 1.399 50 0 DDAARO COc1ccc(OC)c(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c1 ZINC000104348204 194001416 /nfs/dbraw/zinc/00/14/16/194001416.db2.gz IIKMAJVJDSGQRZ-MRXNPFEDSA-N 1 0 322.449 1.981 50 0 DDAARO COCCOc1ncccc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000058210810 184088828 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407046935 /nfs/dbraw/zinc/04/69/35/407046935.db2.gz ZMERDVMTAXKPRT-CQSZACIVSA-N 1 0 321.450 1.926 50 0 DDAARO C[C@H](C1CCN(C(=O)c2ccoc2)CC1)[NH+]1CCN(C)CC1 ZINC000077470928 406992394 /nfs/dbraw/zinc/99/23/94/406992394.db2.gz IVFHSTXMOSTKMT-CQSZACIVSA-N 1 0 305.422 1.768 50 0 DDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000084636467 407091396 /nfs/dbraw/zinc/09/13/96/407091396.db2.gz LSTKAHWSIVAWBZ-KGLIPLIRSA-N 1 0 323.441 1.903 50 0 DDAARO CC[N@H+](CCCC(=O)NC(N)=O)Cc1ccc(OC)c(OC)c1 ZINC000048310454 407095025 /nfs/dbraw/zinc/09/50/25/407095025.db2.gz CUMQLQPJQDGJSV-UHFFFAOYSA-N 1 0 323.393 1.501 50 0 DDAARO COCC[NH+]1CCC(NC(=O)COc2ccc(C)c(C)c2)CC1 ZINC000048340582 407095647 /nfs/dbraw/zinc/09/56/47/407095647.db2.gz HEGUJPWYJCGZIJ-UHFFFAOYSA-N 1 0 320.433 1.909 50 0 DDAARO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000048355680 407096013 /nfs/dbraw/zinc/09/60/13/407096013.db2.gz DQUIBLFEVAMCJK-CQSZACIVSA-N 1 0 321.465 1.767 50 0 DDAARO CCCc1cn(CC2CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC2)nn1 ZINC000048435892 407098083 /nfs/dbraw/zinc/09/80/83/407098083.db2.gz YBCNXTABEQKVOL-BBRMVZONSA-N 1 0 321.469 1.843 50 0 DDAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccco2)CC1 ZINC000085468076 407102346 /nfs/dbraw/zinc/10/23/46/407102346.db2.gz IPXMAYWLNQAHMZ-CQSZACIVSA-N 1 0 305.422 1.768 50 0 DDAARO C[NH+](C)C[C@@H]1COCCN1C(=O)c1nc2ccccc2s1 ZINC000085470120 407103014 /nfs/dbraw/zinc/10/30/14/407103014.db2.gz YDCHZYINMMXOON-LLVKDONJSA-N 1 0 305.403 1.699 50 0 DDAARO Cn1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1=O ZINC000051155463 407135384 /nfs/dbraw/zinc/13/53/84/407135384.db2.gz NMYTWBXCUFEQDY-UHFFFAOYSA-N 1 0 301.365 1.847 50 0 DDAARO Cc1c(C(=O)NCCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000051318182 407138366 /nfs/dbraw/zinc/13/83/66/407138366.db2.gz GPUJBCLJQUCISI-UHFFFAOYSA-N 1 0 321.812 1.911 50 0 DDAARO C[NH+](C)[C@@H](CNc1ccc2nnnn2n1)c1ccc(F)cc1 ZINC000052486082 407151251 /nfs/dbraw/zinc/15/12/51/407151251.db2.gz HTESDJVIMWBUSM-LBPRGKRZSA-N 1 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Cn1cc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cn1 ZINC000067846847 407287032 /nfs/dbraw/zinc/28/70/32/407287032.db2.gz WLRGXCQULMRZKC-LSDHHAIUSA-N 1 0 315.373 1.499 50 0 DDAARO CCn1c(C)cc(C)c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1=O ZINC000067946874 407291395 /nfs/dbraw/zinc/29/13/95/407291395.db2.gz SSNGMDXQEUJZPU-GOSISDBHSA-N 1 0 317.433 1.701 50 0 DDAARO CN(C(=O)c1cnc(Nc2ccccc2)nc1)[C@H]1CC[N@H+](C)C1 ZINC000097532511 407298891 /nfs/dbraw/zinc/29/88/91/407298891.db2.gz HIJRTTJEZCQGDY-HNNXBMFYSA-N 1 0 311.389 1.996 50 0 DDAARO C[NH+](C)CCN(CCO)C(=O)c1c[nH]nc1-c1ccccc1F ZINC000097632140 407300362 /nfs/dbraw/zinc/30/03/62/407300362.db2.gz KZYCTXFYFXVDPS-UHFFFAOYSA-N 1 0 320.368 1.212 50 0 DDAARO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1cnn(-c3cccc(F)c3)c1)C2 ZINC000097619568 407300641 /nfs/dbraw/zinc/30/06/41/407300641.db2.gz GVXKAZAQFBYMRZ-HIFRSBDPSA-N 1 0 314.364 1.722 50 0 DDAARO COCCC[NH+]1CCN(c2nccc(-c3cccnc3)n2)CC1 ZINC000097732777 407302019 /nfs/dbraw/zinc/30/20/19/407302019.db2.gz HBVFXWCFHFNGEF-UHFFFAOYSA-N 1 0 313.405 1.697 50 0 DDAARO Cc1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000097742852 407302359 /nfs/dbraw/zinc/30/23/59/407302359.db2.gz YGIKCGGIIRKVCU-CQSZACIVSA-N 1 0 318.421 1.622 50 0 DDAARO CC(C)[NH+](CCNC(=O)c1ccccc1-c1nn[nH]n1)C(C)C ZINC000097805504 407303425 /nfs/dbraw/zinc/30/34/25/407303425.db2.gz PMTZWNSSGULEDG-UHFFFAOYSA-N 1 0 316.409 1.715 50 0 DDAARO CC[C@@H]1CN(Cc2cn3ccsc3n2)CC[N@@H+]1C[C@H](C)O ZINC000106906933 407366743 /nfs/dbraw/zinc/36/67/43/407366743.db2.gz ZBDYIULWQKUVQL-GXTWGEPZSA-N 1 0 308.451 1.673 50 0 DDAARO Cc1cccc(OCCNC(=O)CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000107580637 407376354 /nfs/dbraw/zinc/37/63/54/407376354.db2.gz ONGHQIGPHJWDAS-OAHLLOKOSA-N 1 0 305.422 1.126 50 0 DDAARO COCCc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n(C)n1 ZINC000108370098 407385102 /nfs/dbraw/zinc/38/51/02/407385102.db2.gz DANHHLHEIXFENT-JSGCOSHPSA-N 1 0 321.425 1.309 50 0 DDAARO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000195571199 407468184 /nfs/dbraw/zinc/46/81/84/407468184.db2.gz LBMNJVQDOVETMV-KBPBESRZSA-N 1 0 300.468 1.936 50 0 DDAARO C[NH+]1CCOC[C@H]2CCN(C(=O)c3cccc4[nH]ccc43)C[C@H]21 ZINC000257179117 407481055 /nfs/dbraw/zinc/48/10/55/407481055.db2.gz CJMUPZFJCAPCIA-CXAGYDPISA-N 1 0 313.401 1.961 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178553261 407491307 /nfs/dbraw/zinc/49/13/07/407491307.db2.gz FBPYJMZYHCRGPB-OAHLLOKOSA-N 1 0 316.449 1.249 50 0 DDAARO Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000178391943 407440406 /nfs/dbraw/zinc/44/04/06/407440406.db2.gz ALSUYUCZYWSXDM-CYBMUJFWSA-N 1 0 302.353 1.802 50 0 DDAARO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cnn(C)c1 ZINC000170594388 407444132 /nfs/dbraw/zinc/44/41/32/407444132.db2.gz QRVARGFILZBHAN-GOSISDBHSA-N 1 0 314.433 1.892 50 0 DDAARO COCC[N@H+]1[C@H](C)CN(Cc2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000170591409 407446218 /nfs/dbraw/zinc/44/62/18/407446218.db2.gz YOTRDVUBEUOPNH-KIMHZCHSSA-N 1 0 324.490 1.965 50 0 DDAARO C[C@@H](OC1CCCCCC1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000225426300 407585286 /nfs/dbraw/zinc/58/52/86/407585286.db2.gz LRMHBDYJWRMEJQ-RHSMWYFYSA-N 1 0 314.470 1.933 50 0 DDAARO Cc1ccccc1OC[C@H](O)C(=O)N1CC([NH+]2CCCCC2)C1 ZINC000219535937 407531207 /nfs/dbraw/zinc/53/12/07/407531207.db2.gz NXCNQRYGVQFFOZ-INIZCTEOSA-N 1 0 318.417 1.431 50 0 DDAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(F)cc2Cl)C1 ZINC000220065831 407537595 /nfs/dbraw/zinc/53/75/95/407537595.db2.gz KBODPSBSKNOGOH-MNOVXSKESA-N 1 0 300.761 1.616 50 0 DDAARO O=C(c1ccccn1)N1CCC([NH2+][C@H]2C[C@@H]3OCC[C@H]23)CC1 ZINC000220340685 407539739 /nfs/dbraw/zinc/53/97/39/407539739.db2.gz OXIAIBLFQBCLNS-KBMXLJTQSA-N 1 0 301.390 1.453 50 0 DDAARO OC[C@@H]1CCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ncn1 ZINC000229333540 407657438 /nfs/dbraw/zinc/65/74/38/407657438.db2.gz IKLDRJATFVFKNK-CABCVRRESA-N 1 0 317.437 1.112 50 0 DDAARO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000229316257 407658976 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CCc1c(C(=O)N2CC[C@H](C[NH2+]C)C2)cnn1-c1ccccn1 ZINC000179015503 407691310 /nfs/dbraw/zinc/69/13/10/407691310.db2.gz GWMHGLHSSRSRGY-CYBMUJFWSA-N 1 0 313.405 1.511 50 0 DDAARO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000179089179 407718629 /nfs/dbraw/zinc/71/86/29/407718629.db2.gz FYRAZOYIAVGYOY-VIFPVBQESA-N 1 0 316.810 1.177 50 0 DDAARO Cc1n[nH]cc1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186613802 407718604 /nfs/dbraw/zinc/71/86/04/407718604.db2.gz BLTBCDMTKGZSKS-OAHLLOKOSA-N 1 0 313.405 1.898 50 0 DDAARO Nc1cc[nH+]cc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000187236086 407833811 /nfs/dbraw/zinc/83/38/11/407833811.db2.gz BUDMQNOUDYIABR-UHFFFAOYSA-N 1 0 318.421 1.429 50 0 DDAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH2+]CC1 ZINC000237729394 407837831 /nfs/dbraw/zinc/83/78/31/407837831.db2.gz DOQTWRFVCMANDW-UHFFFAOYSA-N 1 0 304.781 1.880 50 0 DDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000237957462 407855013 /nfs/dbraw/zinc/85/50/13/407855013.db2.gz TYICELMIKXMZJX-RYUDHWBXSA-N 1 0 323.343 1.267 50 0 DDAARO C[C@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C[C@H](C)[NH2+]1 ZINC000153596667 407859082 /nfs/dbraw/zinc/85/90/82/407859082.db2.gz HZUHSSBUOHZZDB-RYUDHWBXSA-N 1 0 317.368 1.288 50 0 DDAARO COCc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)ncn1 ZINC000153607498 407861836 /nfs/dbraw/zinc/86/18/36/407861836.db2.gz WTBGDZVEJVQAIX-UHFFFAOYSA-N 1 0 319.409 1.715 50 0 DDAARO O[C@@H](Cn1cccn1)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000241588107 407909850 /nfs/dbraw/zinc/90/98/50/407909850.db2.gz OZRUNZMIAJKADE-RBSFLKMASA-N 1 0 311.451 1.231 50 0 DDAARO CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000154054543 407963425 /nfs/dbraw/zinc/96/34/25/407963425.db2.gz HDPXNRXKRKTCSO-STQMWFEESA-N 1 0 324.446 1.691 50 0 DDAARO O[C@H]1CN(CCn2cnc3ccccc32)C[C@@H]1[NH+]1CCCCC1 ZINC000243932332 407924629 /nfs/dbraw/zinc/92/46/29/407924629.db2.gz BVBWYZXMBDDTJX-ROUUACIJSA-N 1 0 314.433 1.567 50 0 DDAARO CCn1c(CN2CCn3nc(C)cc3C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244716120 407931383 /nfs/dbraw/zinc/93/13/83/407931383.db2.gz LIVHBLGVMZWMHN-JOCQHMNTSA-N 1 0 315.425 1.023 50 0 DDAARO CC(C)c1nnsc1CN1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000244795731 407937536 /nfs/dbraw/zinc/93/75/36/407937536.db2.gz RMPNCOBYWWKAJO-CQSZACIVSA-N 1 0 324.494 1.940 50 0 DDAARO CCc1nnc(NC(=O)CC[N@H+](C)Cc2cnccn2)s1 ZINC000244882866 407944190 /nfs/dbraw/zinc/94/41/90/407944190.db2.gz YATGPWWCJSUZRC-UHFFFAOYSA-N 1 0 306.395 1.351 50 0 DDAARO CSC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000190907535 408339717 /nfs/dbraw/zinc/33/97/17/408339717.db2.gz ICTGQDOIWWJTNT-LSDHHAIUSA-N 1 0 320.458 1.634 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000246812209 408344833 /nfs/dbraw/zinc/34/48/33/408344833.db2.gz BVFHMYIINSAVTH-MCIONIFRSA-N 1 0 304.456 1.204 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108413 408410272 /nfs/dbraw/zinc/41/02/72/408410272.db2.gz ITLMIAZDZAMXGN-SJORKVTESA-N 1 0 306.454 1.650 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000248175013 408544073 /nfs/dbraw/zinc/54/40/73/408544073.db2.gz VLKHBTIVLVJGCP-HZSPNIEDSA-N 1 0 305.426 1.439 50 0 DDAARO CCCn1cnnc1CNC(=O)C[C@@H](C)[NH+]1CCCCCC1 ZINC000252481345 408797608 /nfs/dbraw/zinc/79/76/08/408797608.db2.gz CJLXYVFEROJOKE-CQSZACIVSA-N 1 0 307.442 1.959 50 0 DDAARO COC[C@@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000252488024 408798339 /nfs/dbraw/zinc/79/83/39/408798339.db2.gz IHLNQQFLHMGQLV-CABZTGNLSA-N 1 0 316.195 1.870 50 0 DDAARO COc1cc(OC)c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1OC ZINC000297303540 409902428 /nfs/dbraw/zinc/90/24/28/409902428.db2.gz FJCFNRFKKHVLOI-ZYHUDNBSSA-N 1 0 308.378 1.664 50 0 DDAARO Cc1nc(CN2CCCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cs1 ZINC000333248340 410443500 /nfs/dbraw/zinc/44/35/00/410443500.db2.gz GECGQRADMWFXDF-HNNXBMFYSA-N 1 0 322.478 1.613 50 0 DDAARO O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299756737 410607918 /nfs/dbraw/zinc/60/79/18/410607918.db2.gz 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[NH3+][C@@H]1CCN(C(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000237929335 202395289 /nfs/dbraw/zinc/39/52/89/202395289.db2.gz HWLKZJHIRPPLIQ-GFCCVEGCSA-N 1 0 303.387 1.895 50 0 DDAARO COc1cc(OC)cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193452723 201053594 /nfs/dbraw/zinc/05/35/94/201053594.db2.gz XLRCLUPQKYXULH-YGRLFVJLSA-N 1 0 314.407 1.123 50 0 DDAARO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)[C@@H](C)C1 ZINC000195530335 201399156 /nfs/dbraw/zinc/39/91/56/201399156.db2.gz GNNWOOPDMVRFOR-ZFWWWQNUSA-N 1 0 320.437 1.652 50 0 DDAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CCO1 ZINC000247154797 202649029 /nfs/dbraw/zinc/64/90/29/202649029.db2.gz LWLMTXNLGSOAEY-BRWVUGGUSA-N 1 0 323.481 1.430 50 0 DDAARO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)cnn1C ZINC000091304943 193037445 /nfs/dbraw/zinc/03/74/45/193037445.db2.gz WJWSDQJYYMQJNT-UKRRQHHQSA-N 1 0 305.426 1.306 50 0 DDAARO Cc1cc(C(=O)N[C@H]2C[N@H+](CCO)C[C@@H]2C2CC2)sc1C ZINC000091519253 193068033 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COc1ccc(C[NH2+]CCc2cnn(C)c2)c(OC)c1OC ZINC000048784464 407107961 /nfs/dbraw/zinc/10/79/61/407107961.db2.gz ZPTYVIAHIQENBA-UHFFFAOYSA-N 1 0 305.378 1.778 50 0 DDAARO C[C@@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262567 407071859 /nfs/dbraw/zinc/07/18/59/407071859.db2.gz CPHFFUVZJUXFPR-VIFPVBQESA-N 1 0 310.785 1.259 50 0 DDAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000082091547 407079965 /nfs/dbraw/zinc/07/99/65/407079965.db2.gz MONRFJFHTOVOCL-ZDUSSCGKSA-N 1 0 314.389 1.251 50 0 DDAARO C[N@H+](CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000089335450 407131195 /nfs/dbraw/zinc/13/11/95/407131195.db2.gz TWIQZAVDOFUISV-MRXNPFEDSA-N 1 0 315.417 1.561 50 0 DDAARO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000089780914 407149310 /nfs/dbraw/zinc/14/93/10/407149310.db2.gz VVLKVWJHLCISDW-SJORKVTESA-N 1 0 313.401 1.839 50 0 DDAARO CC[C@H](CNc1nn2c(nc(C)cc2=O)s1)[NH+]1CCCC1 ZINC000089943486 407162600 /nfs/dbraw/zinc/16/26/00/407162600.db2.gz HCMWQISDXCIBHC-LLVKDONJSA-N 1 0 307.423 1.746 50 0 DDAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)n1cncn1 ZINC000053990999 407175858 /nfs/dbraw/zinc/17/58/58/407175858.db2.gz ORGVMTSJBJGOKA-ZDUSSCGKSA-N 1 0 314.393 1.015 50 0 DDAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCCO)CC1 ZINC000066607046 407254941 /nfs/dbraw/zinc/25/49/41/407254941.db2.gz DLXWOQIEDNAPMS-UHFFFAOYSA-N 1 0 305.374 1.735 50 0 DDAARO Fc1cccc(Cl)c1Cn1ncnc1C[C@@H]1COCC[NH2+]1 ZINC000095364370 407210235 /nfs/dbraw/zinc/21/02/35/407210235.db2.gz WXQRNVINAMHTIM-SNVBAGLBSA-N 1 0 310.760 1.650 50 0 DDAARO CC(=O)NCCNC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000058305715 407220448 /nfs/dbraw/zinc/22/04/48/407220448.db2.gz FQHLSUAKVNCGLI-KRWDZBQOSA-N 1 0 315.417 1.391 50 0 DDAARO O=C(Nc1cccnc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000096416130 407262066 /nfs/dbraw/zinc/26/20/66/407262066.db2.gz IWTFVJQPBHSBCJ-UHFFFAOYSA-N 1 0 316.405 1.497 50 0 DDAARO CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nn1 ZINC000095990002 407221975 /nfs/dbraw/zinc/22/19/75/407221975.db2.gz MYIFUZQBNXJRMD-CQSZACIVSA-N 1 0 317.437 1.903 50 0 DDAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2n1 ZINC000061650343 407229560 /nfs/dbraw/zinc/22/95/60/407229560.db2.gz IBAGSNMZCBOEIU-LSDHHAIUSA-N 1 0 311.385 1.828 50 0 DDAARO CC(C)C[NH+]1CCC(C(=O)NCCNc2cnccn2)CC1 ZINC000063658786 407234235 /nfs/dbraw/zinc/23/42/35/407234235.db2.gz NMBFKGZSSAFBSJ-UHFFFAOYSA-N 1 0 305.426 1.373 50 0 DDAARO COc1ccccc1N1CC[NH+](Cc2ccc(=O)n(C)c2)CC1 ZINC000065285836 407241989 /nfs/dbraw/zinc/24/19/89/407241989.db2.gz GWSPSNWEMLDNAY-UHFFFAOYSA-N 1 0 313.401 1.716 50 0 DDAARO Cc1nc(-c2cccnc2)nc2c1CCC(=O)N2CC[NH+](C)C ZINC000065289329 407242197 /nfs/dbraw/zinc/24/21/97/407242197.db2.gz IXSCYPJIPMTMGB-UHFFFAOYSA-N 1 0 311.389 1.688 50 0 DDAARO CN1C(=O)C[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000096181156 407243666 /nfs/dbraw/zinc/24/36/66/407243666.db2.gz BBPACNFCPSVLKF-BXUZGUMPSA-N 1 0 309.435 1.335 50 0 DDAARO O[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000102138772 407319873 /nfs/dbraw/zinc/31/98/73/407319873.db2.gz YDWNCXYOCXDISI-WDNDVIMCSA-N 1 0 323.400 1.634 50 0 DDAARO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)CCO)CC1 ZINC000096470501 407269827 /nfs/dbraw/zinc/26/98/27/407269827.db2.gz LOAPKMQACALTCA-CQSZACIVSA-N 1 0 305.422 1.216 50 0 DDAARO [NH3+][C@@H](CNS(=O)(=O)c1cccc2nonc21)c1ccccc1 ZINC000096483356 407271573 /nfs/dbraw/zinc/27/15/73/407271573.db2.gz BWBGUHOUGHXXHX-NSHDSACASA-N 1 0 318.358 1.201 50 0 DDAARO O=C(OCCCc1nc2ncccn2n1)c1ccn2c[nH+]cc2c1 ZINC000097034350 407276169 /nfs/dbraw/zinc/27/61/69/407276169.db2.gz FZLFPUGJDJDBHU-UHFFFAOYSA-N 1 0 322.328 1.562 50 0 DDAARO O=S(=O)(CCc1ccncc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067725708 407281519 /nfs/dbraw/zinc/28/15/19/407281519.db2.gz NFUJGOKQTPZHHH-UHFFFAOYSA-N 1 0 309.435 1.029 50 0 DDAARO [NH3+]C[C@@H]1CN(Cc2c(-c3ccccc3)nc3ncccn23)CCO1 ZINC000067712898 407281674 /nfs/dbraw/zinc/28/16/74/407281674.db2.gz PMZTUWCDBFABQF-OAHLLOKOSA-N 1 0 323.400 1.556 50 0 DDAARO CN1CCNC(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000067788641 407284364 /nfs/dbraw/zinc/28/43/64/407284364.db2.gz KWIJOIABDOKJFA-UHFFFAOYSA-N 1 0 312.417 1.564 50 0 DDAARO COc1cc(OC)c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000067805908 407285231 /nfs/dbraw/zinc/28/52/31/407285231.db2.gz XAJGKJUVMXYLGY-GFCCVEGCSA-N 1 0 322.405 1.784 50 0 DDAARO Cn1cc(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](O)C3)c2)cn1 ZINC000067817661 407285386 /nfs/dbraw/zinc/28/53/86/407285386.db2.gz OATVFKXWNSSGRI-INIZCTEOSA-N 1 0 314.389 1.629 50 0 DDAARO Cc1cn2c(n1)CC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C2 ZINC000097199255 407286265 /nfs/dbraw/zinc/28/62/65/407286265.db2.gz VWFZIEFSKMUZSQ-INIZCTEOSA-N 1 0 318.465 1.991 50 0 DDAARO Cc1cccc(NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)[nH+]1 ZINC000097200932 407286680 /nfs/dbraw/zinc/28/66/80/407286680.db2.gz QUBSGZNHJLJSHQ-CYBMUJFWSA-N 1 0 313.409 1.645 50 0 DDAARO COc1ccc(-n2cccn2)c(CN(C)[C@@H](C)C(=O)N(C)C)c1 ZINC000067878372 407288532 /nfs/dbraw/zinc/28/85/32/407288532.db2.gz FUOPFTHHIYBWHQ-ZDUSSCGKSA-N 1 0 316.405 1.789 50 0 DDAARO CC[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)CC[NH2+]1 ZINC000067946826 407290944 /nfs/dbraw/zinc/29/09/44/407290944.db2.gz RQTGLUDDFLENSX-CQSZACIVSA-N 1 0 324.446 1.369 50 0 DDAARO Cc1cc2cccc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)c2o1 ZINC000097743170 407302080 /nfs/dbraw/zinc/30/20/80/407302080.db2.gz REWLSYRGVUYAJM-QGZVFWFLSA-N 1 0 302.374 1.880 50 0 DDAARO Cn1cc(Cl)cc1C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097766482 407302379 /nfs/dbraw/zinc/30/23/79/407302379.db2.gz FINCYZXDFGMGKV-UHFFFAOYSA-N 1 0 307.785 1.298 50 0 DDAARO CC[C@H]1CN(c2ncnc3sccc32)CC[N@@H+]1C[C@H](C)O ZINC000106840011 407362032 /nfs/dbraw/zinc/36/20/32/407362032.db2.gz YMTBFYTVMHPFSL-RYUDHWBXSA-N 1 0 306.435 1.973 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000106929147 407368011 /nfs/dbraw/zinc/36/80/11/407368011.db2.gz HSIHCRXTKHQJMH-HOTGVXAUSA-N 1 0 314.433 1.759 50 0 DDAARO CC(C)(C)c1noc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000178472093 407464152 /nfs/dbraw/zinc/46/41/52/407464152.db2.gz BZDXFSRLSDHXJO-ZDUSSCGKSA-N 1 0 308.426 1.521 50 0 DDAARO COc1cc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)cc2c1OCCO2 ZINC000255024926 407470215 /nfs/dbraw/zinc/47/02/15/407470215.db2.gz HFZMJOZDTNATFX-ZFDPJTLLSA-N 1 0 318.373 1.429 50 0 DDAARO COCCn1nc(C(=O)NCC2CCCCC2)c2c1CC[NH2+]C2 ZINC000257179538 407480407 /nfs/dbraw/zinc/48/04/07/407480407.db2.gz CTBLUNUSWMFALX-UHFFFAOYSA-N 1 0 320.437 1.485 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000178523708 407482592 /nfs/dbraw/zinc/48/25/92/407482592.db2.gz XWOMHABJLFQTCE-JTQLQIEISA-N 1 0 313.195 1.635 50 0 DDAARO C[N@@H+](Cc1cccc(Cn2cccn2)c1)C[C@@H]1COCCO1 ZINC000215442359 407484644 /nfs/dbraw/zinc/48/46/44/407484644.db2.gz BVDNKKPKLGYBOC-QGZVFWFLSA-N 1 0 301.390 1.779 50 0 DDAARO COCC(=O)N1CCC[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000215577110 407486686 /nfs/dbraw/zinc/48/66/86/407486686.db2.gz FKQHRGBMUNQSSM-UHFFFAOYSA-N 1 0 301.390 1.849 50 0 DDAARO COCCCN(Cc1cccc(OC)c1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000215815117 407489961 /nfs/dbraw/zinc/48/99/61/407489961.db2.gz UFPVISLQMOYJQI-MRXNPFEDSA-N 1 0 322.405 1.049 50 0 DDAARO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1CO ZINC000253413107 407441419 /nfs/dbraw/zinc/44/14/19/407441419.db2.gz TUQWXMTWPKWXKZ-CMPLNLGQSA-N 1 0 300.761 1.265 50 0 DDAARO CN1C(=O)C[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000253425563 407444661 /nfs/dbraw/zinc/44/46/61/407444661.db2.gz QWYSREUTXJFCAW-VNHYZAJKSA-N 1 0 321.808 1.480 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(-n2cncn2)c1 ZINC000222135993 407554942 /nfs/dbraw/zinc/55/49/42/407554942.db2.gz QEQGGZSVKGMQFH-KGLIPLIRSA-N 1 0 312.377 1.019 50 0 DDAARO CCc1[nH]nc2c1CN(c1cc(C3CC([NH3+])C3)nc(N)n1)CC2 ZINC000223691022 407571769 /nfs/dbraw/zinc/57/17/69/407571769.db2.gz VPGBHYWXXNTPGH-UHFFFAOYSA-N 1 0 313.409 1.112 50 0 DDAARO [NH3+]CC1(NS(=O)(=O)C2=Cc3ccccc3OC2)CCCC1 ZINC000225426190 407584233 /nfs/dbraw/zinc/58/42/33/407584233.db2.gz OITNMNOSMZDJHY-UHFFFAOYSA-N 1 0 308.403 1.611 50 0 DDAARO OC[C@H](O)c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2 ZINC000220008193 407537252 /nfs/dbraw/zinc/53/72/52/407537252.db2.gz PIPQBQXGZWFUOO-PYJQOMOHSA-N 1 0 313.401 1.828 50 0 DDAARO COc1ccccc1CCNc1cc(C2CC(O)C2)[nH+]c(N)n1 ZINC000220651087 407543446 /nfs/dbraw/zinc/54/34/46/407543446.db2.gz SCJBEFDDHZVDNT-UHFFFAOYSA-N 1 0 314.389 1.960 50 0 DDAARO CO[C@@H]1CN(CC(O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000225573592 407597473 /nfs/dbraw/zinc/59/74/73/407597473.db2.gz MKRAFFRSKJUYER-XJNFMUPTSA-N 1 0 314.470 1.061 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000152386307 407628301 /nfs/dbraw/zinc/62/83/01/407628301.db2.gz NJHOZGSUPLDBKQ-ZDUSSCGKSA-N 1 0 318.352 1.758 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000178991060 407684686 /nfs/dbraw/zinc/68/46/86/407684686.db2.gz CGOCEWMWRILAJT-LBPRGKRZSA-N 1 0 302.353 1.693 50 0 DDAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000230204885 407686348 /nfs/dbraw/zinc/68/63/48/407686348.db2.gz MKYOAPVSWLFKHR-SOUVJXGZSA-N 1 0 309.410 1.146 50 0 DDAARO Cn1cnc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000262018272 407715404 /nfs/dbraw/zinc/71/54/04/407715404.db2.gz ADXBWUNUPSVNJT-KGLIPLIRSA-N 1 0 302.353 1.435 50 0 DDAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000131266848 407727893 /nfs/dbraw/zinc/72/78/93/407727893.db2.gz JLQLYRXAKCTUDU-SNPRPXQTSA-N 1 0 315.417 1.598 50 0 DDAARO CC(C)COc1ccc(CCNC(=O)[C@@H]2COCCN2)cc1 ZINC000236672966 407746727 /nfs/dbraw/zinc/74/67/27/407746727.db2.gz QHZQIFUWEONWPL-INIZCTEOSA-N 1 0 306.406 1.369 50 0 DDAARO Cc1ccccc1[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)NC(N)=O ZINC000153216718 407780152 /nfs/dbraw/zinc/78/01/52/407780152.db2.gz WAEXHUXEDANGSD-NFAWXSAZSA-N 1 0 318.421 1.303 50 0 DDAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000238008854 407869019 /nfs/dbraw/zinc/86/90/19/407869019.db2.gz DUMNYMUUVZWWFT-CABCVRRESA-N 1 0 302.422 1.243 50 0 DDAARO CN1CC[N@H+](C)[C@@H](CC(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000240662481 407907174 /nfs/dbraw/zinc/90/71/74/407907174.db2.gz PLMLYALKTIKBAR-SFHVURJKSA-N 1 0 313.445 1.938 50 0 DDAARO Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244602022 407928136 /nfs/dbraw/zinc/92/81/36/407928136.db2.gz DWFLBIINRVLJPI-TXEJJXNPSA-N 1 0 315.425 1.282 50 0 DDAARO C[N@H+](CCn1cc[nH]c1=O)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244873381 407940683 /nfs/dbraw/zinc/94/06/83/407940683.db2.gz WPKNBMYDJWOXJA-HNNXBMFYSA-N 1 0 300.406 1.635 50 0 DDAARO C[NH2+]CCCNC(=O)c1ccc(Br)cc1OC ZINC000121304460 408180007 /nfs/dbraw/zinc/18/00/07/408180007.db2.gz KIEXQNCNHIZMGC-UHFFFAOYSA-N 1 0 301.184 1.797 50 0 DDAARO CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511415 408801880 /nfs/dbraw/zinc/80/18/80/408801880.db2.gz GNRHGQFNFVUDTO-KBPBESRZSA-N 1 0 323.403 1.569 50 0 DDAARO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@H](C)n1cccn1 ZINC000252518015 408803359 /nfs/dbraw/zinc/80/33/59/408803359.db2.gz XKEKHOJNANJCMV-CAOSSQGBSA-N 1 0 320.437 1.592 50 0 DDAARO COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000249589267 408747038 /nfs/dbraw/zinc/74/70/38/408747038.db2.gz OUXUHTZLOXRHTQ-UONOGXRCSA-N 1 0 324.446 1.718 50 0 DDAARO CC[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1cc(C)ccn1 ZINC000299772888 410618843 /nfs/dbraw/zinc/61/88/43/410618843.db2.gz CXNYIRGATQWMLR-OAHLLOKOSA-N 1 0 304.438 1.595 50 0 DDAARO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000130471567 196084747 /nfs/dbraw/zinc/08/47/47/196084747.db2.gz ZNSDDMMSAKRNOF-XHDPSFHLSA-N 1 0 323.412 1.701 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCCO3)C1 ZINC000133132368 196314173 /nfs/dbraw/zinc/31/41/73/196314173.db2.gz IIPLPDXALVGVHM-OAHLLOKOSA-N 1 0 318.417 1.991 50 0 DDAARO O=C(Cn1nnc2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000045085792 418437348 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CN1CCO[C@H](C[NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)C1 ZINC000223039247 418562914 /nfs/dbraw/zinc/56/29/14/418562914.db2.gz HMNRIZLAPGLTNJ-BXUZGUMPSA-N 1 0 319.232 1.947 50 0 DDAARO c1nnc2c(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)nccn12 ZINC000375630480 418666197 /nfs/dbraw/zinc/66/61/97/418666197.db2.gz UGLVUZUZWRHFCA-OAHLLOKOSA-N 1 0 308.389 1.480 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2)[C@H]1C[NH3+] ZINC000408519209 418806634 /nfs/dbraw/zinc/80/66/34/418806634.db2.gz RTXKMUHBGNKLCB-RISCZKNCSA-N 1 0 300.399 1.715 50 0 DDAARO Cc1cc(=O)[nH]c(CNC(=O)c2ccc(C)c(OCC[NH3+])c2)n1 ZINC000426387592 419453931 /nfs/dbraw/zinc/45/39/31/419453931.db2.gz CLUFPHOXPURPHC-UHFFFAOYSA-N 1 0 316.361 1.067 50 0 DDAARO Cc1ccc(CCCNC(=O)NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000426622884 419520885 /nfs/dbraw/zinc/52/08/85/419520885.db2.gz DAAFKSNEWYOWGJ-JKSUJKDBSA-N 1 0 305.422 1.197 50 0 DDAARO O=C(Cn1ccnn1)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000426566771 228586963 /nfs/dbraw/zinc/58/69/63/228586963.db2.gz 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000067909434 696365214 /nfs/dbraw/zinc/36/52/14/696365214.db2.gz SXJXLCKEHBHATF-CYBMUJFWSA-N 1 0 303.410 1.760 50 0 DDAARO CC[C@H]1CN(Cc2cnc(CCOC)nc2)CC[N@@H+]1C(C)C ZINC000072426535 696393986 /nfs/dbraw/zinc/39/39/86/696393986.db2.gz CWSSVLXNRXZUDT-INIZCTEOSA-N 1 0 306.454 1.970 50 0 DDAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2C1=O ZINC000169757462 697344338 /nfs/dbraw/zinc/34/43/38/697344338.db2.gz MGUTZBRDWGCCOA-TXEJJXNPSA-N 1 0 324.327 1.028 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2nnc(-c3ccsc3)n2)CC1 ZINC000193404988 697664370 /nfs/dbraw/zinc/66/43/70/697664370.db2.gz RBRWHGSCGFFHHN-CYBMUJFWSA-N 1 0 307.423 1.494 50 0 DDAARO Cc1cnc(C)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000426534456 699155431 /nfs/dbraw/zinc/15/54/31/699155431.db2.gz MWYDOKWNZDPCBQ-LLVKDONJSA-N 1 0 304.423 1.840 50 0 DDAARO CC[N@H+](C)[C@@H](C)C(=O)N1CCC(CNC(=O)C2(C)CC2)CC1 ZINC000952971980 721529842 /nfs/dbraw/zinc/52/98/42/721529842.db2.gz 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ZINC000095462786 185371167 /nfs/dbraw/zinc/37/11/67/185371167.db2.gz INRACFJVGPVSOX-MRXNPFEDSA-N 1 0 319.449 1.621 50 0 DDAARO Cc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F ZINC000106918543 185463517 /nfs/dbraw/zinc/46/35/17/185463517.db2.gz BJKHDNAUUGMUQJ-DOMZBBRYSA-N 1 0 314.426 1.894 50 0 DDAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1c[nH]c(=O)[nH]1 ZINC000067983254 190742013 /nfs/dbraw/zinc/74/20/13/190742013.db2.gz HLYSVIQZBZJWMA-UHFFFAOYSA-N 1 0 314.389 1.571 50 0 DDAARO COc1ccnc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072143978 191051058 /nfs/dbraw/zinc/05/10/58/191051058.db2.gz KITBKLFDSSGGHR-HNNXBMFYSA-N 1 0 319.405 1.461 50 0 DDAARO CN(CC[NH+](C)C)c1nc(-c2cccnc2)nc2c1cnn2C ZINC000072162027 191062878 /nfs/dbraw/zinc/06/28/78/191062878.db2.gz QYKLTBWFJGWMQZ-UHFFFAOYSA-N 1 0 311.393 1.423 50 0 DDAARO COc1cccc2c1OCCCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000072167706 191067159 /nfs/dbraw/zinc/06/71/59/191067159.db2.gz JXFTZFRMAPFKJS-AWEZNQCLSA-N 1 0 320.389 1.185 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000237453088 186291667 /nfs/dbraw/zinc/29/16/67/186291667.db2.gz WMUDWVNDSJJORQ-ZFWWWQNUSA-N 1 0 313.405 1.775 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000237478184 186296026 /nfs/dbraw/zinc/29/60/26/186296026.db2.gz ZTQICKGIONFMGR-WCQYABFASA-N 1 0 300.399 1.715 50 0 DDAARO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCOCC1 ZINC000253393008 186303483 /nfs/dbraw/zinc/30/34/83/186303483.db2.gz RPQZDZKWALRYKX-UHFFFAOYSA-N 1 0 323.481 1.620 50 0 DDAARO Cc1ncc2c(c1CNC(=O)c1cnn3cccnc13)CC[NH2+]C2 ZINC000072431847 191164604 /nfs/dbraw/zinc/16/46/04/191164604.db2.gz UJVZQQKAAIJXRW-UHFFFAOYSA-N 1 0 322.372 1.008 50 0 DDAARO CN(Cc1ccc(-n2cccn2)cc1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000072473375 191175447 /nfs/dbraw/zinc/17/54/47/191175447.db2.gz TTZQYWRZOASZFG-OAHLLOKOSA-N 1 0 314.389 1.209 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000072468869 191176094 /nfs/dbraw/zinc/17/60/94/191176094.db2.gz 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354219546 /nfs/dbraw/zinc/21/95/46/354219546.db2.gz JMZGUGGFRNXLBX-AWEZNQCLSA-N 1 0 320.437 1.992 50 0 DDAARO O=c1c2ncccc2ncn1C[C@H](O)C[NH+]1CCCCCC1 ZINC000584886996 354790608 /nfs/dbraw/zinc/79/06/08/354790608.db2.gz BDZQRHQEGZXDCX-CYBMUJFWSA-N 1 0 302.378 1.028 50 0 DDAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000584888695 354791594 /nfs/dbraw/zinc/79/15/94/354791594.db2.gz LMKWWFQEXGRYIZ-AWEZNQCLSA-N 1 0 317.433 1.695 50 0 DDAARO CC[N@@H+]1C[C@H](OC)[C@@H](n2cnc3cc(Cl)ccc3c2=O)C1 ZINC000584899258 354798769 /nfs/dbraw/zinc/79/87/69/354798769.db2.gz SUHQGPYPSULOQS-KBPBESRZSA-N 1 0 307.781 1.942 50 0 DDAARO CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)N1CCc2ccccc2C1 ZINC000584899413 354799092 /nfs/dbraw/zinc/79/90/92/354799092.db2.gz HACJJGOZFXAJGA-IRXDYDNUSA-N 1 0 317.433 1.864 50 0 DDAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2[nH]nc3c2CCCCC3)C1 ZINC000584902221 354800530 /nfs/dbraw/zinc/80/05/30/354800530.db2.gz IUYLGKJJTAQRGQ-LBPRGKRZSA-N 1 0 306.410 1.999 50 0 DDAARO CC(=O)Nc1ccc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000584901678 354800887 /nfs/dbraw/zinc/80/08/87/354800887.db2.gz ORKMCRPYSGFLMB-CQSZACIVSA-N 1 0 319.405 1.907 50 0 DDAARO [NH3+]CCc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1 ZINC000584896938 354796813 /nfs/dbraw/zinc/79/68/13/354796813.db2.gz MWLVUGMMKRSGHE-UHFFFAOYSA-N 1 0 313.283 1.255 50 0 DDAARO COc1ccc(CN2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000005396086 181238665 /nfs/dbraw/zinc/23/86/65/181238665.db2.gz GHPHXMRQGOXPQZ-RYUDHWBXSA-N 1 0 312.416 1.344 50 0 DDAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237148520 202167884 /nfs/dbraw/zinc/16/78/84/202167884.db2.gz YQZASOHEGSNORV-LBPRGKRZSA-N 1 0 302.296 1.652 50 0 DDAARO COc1ccccc1CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237166561 202172946 /nfs/dbraw/zinc/17/29/46/202172946.db2.gz OJYWZIAUORNSEK-GDBMZVCRSA-N 1 0 317.433 1.467 50 0 DDAARO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(N)=O)cc2)[C@@H]1C[NH3+] ZINC000237518531 202268129 /nfs/dbraw/zinc/26/81/29/202268129.db2.gz ZOMYZGNRZLIBHC-OHEJIBKASA-N 1 0 301.390 1.385 50 0 DDAARO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[NH2+]CC1 ZINC000237789250 202355632 /nfs/dbraw/zinc/35/56/32/202355632.db2.gz UAIUGTSYULBQSV-UHFFFAOYSA-N 1 0 304.781 1.880 50 0 DDAARO CN1C[C@]2(CCC[N@H+](CCC(=O)Nc3cccnc3)C2)OC1=O ZINC000243893723 202477306 /nfs/dbraw/zinc/47/73/06/202477306.db2.gz ATGRKHKVGNFEAE-INIZCTEOSA-N 1 0 318.377 1.327 50 0 DDAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1c[nH]c(=O)n(C)c1=O ZINC000089904515 192901677 /nfs/dbraw/zinc/90/16/77/192901677.db2.gz BHVHTXJHUWXODY-LLVKDONJSA-N 1 0 312.373 1.448 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(C4CC4)on3)CC2)CCO1 ZINC000193668718 201098861 /nfs/dbraw/zinc/09/88/61/201098861.db2.gz NAFGOSUTKJYZHP-LBPRGKRZSA-N 1 0 319.405 1.877 50 0 DDAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000091603322 193078361 /nfs/dbraw/zinc/07/83/61/193078361.db2.gz CJEUZDGFQHFXLM-SJORKVTESA-N 1 0 312.417 1.912 50 0 DDAARO Cn1cnnc1CCC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091486429 193062558 /nfs/dbraw/zinc/06/25/58/193062558.db2.gz WLTADOLSMMVBGF-HNNXBMFYSA-N 1 0 319.453 1.615 50 0 DDAARO Cc1nc[nH]c1CSCCN1CC2(CC[NH2+]CC2)CCC1=O ZINC000091845400 193116875 /nfs/dbraw/zinc/11/68/75/193116875.db2.gz UUVMNECAPLGYQC-UHFFFAOYSA-N 1 0 322.478 1.944 50 0 DDAARO CC(C)n1nc(CNCCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000261491695 203072165 /nfs/dbraw/zinc/07/21/65/203072165.db2.gz DAYJKTPUGGKXAB-UHFFFAOYSA-N 1 0 317.437 1.588 50 0 DDAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261802616 203119130 /nfs/dbraw/zinc/11/91/30/203119130.db2.gz YUEWWYLXGWKHOI-YPMHNXCESA-N 1 0 302.296 1.082 50 0 DDAARO COCCN1CCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095967642 193464572 /nfs/dbraw/zinc/46/45/72/193464572.db2.gz LFIDUGXEZNRFPB-QGZVFWFLSA-N 1 0 318.465 1.751 50 0 DDAARO CC(C)N(C(=O)C[NH2+]CCN1CCOCC1)c1ccccc1 ZINC000019365132 182118592 /nfs/dbraw/zinc/11/85/92/182118592.db2.gz SRHLZXBEHZHGAW-UHFFFAOYSA-N 1 0 305.422 1.350 50 0 DDAARO O=C(NCCN1CCCCC1=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000019939226 182168201 /nfs/dbraw/zinc/16/82/01/182168201.db2.gz HVZVNANDSYALNZ-LBPRGKRZSA-N 1 0 321.446 1.915 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)NCCc1cccc(C(F)(F)F)c1 ZINC000097813811 193760101 /nfs/dbraw/zinc/76/01/01/193760101.db2.gz KLYLLQGPYQWLKH-CYBMUJFWSA-N 1 0 316.323 1.743 50 0 DDAARO CC(C)c1ccc(C[NH+]2CCN(CCOCCO)CC2)cc1 ZINC000022593319 182327456 /nfs/dbraw/zinc/32/74/56/182327456.db2.gz NBUNXUOZCWOTGH-UHFFFAOYSA-N 1 0 306.450 1.937 50 0 DDAARO Cc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2CCO)o1 ZINC000023375518 182358513 /nfs/dbraw/zinc/35/85/13/182358513.db2.gz AQICVDSKRQNZBF-INIZCTEOSA-N 1 0 308.422 1.636 50 0 DDAARO CN(Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@@H]1CCCCO1 ZINC000023619868 182364729 /nfs/dbraw/zinc/36/47/29/182364729.db2.gz SEPFONMXFSJHDL-INIZCTEOSA-N 1 0 307.442 1.279 50 0 DDAARO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040287669 183051881 /nfs/dbraw/zinc/05/18/81/183051881.db2.gz 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/nfs/dbraw/zinc/34/06/61/183340661.db2.gz FTFWCAGTDYTKJW-UHFFFAOYSA-N 1 0 324.450 1.102 50 0 DDAARO Cc1csc(N2CC[N@@H+](CCCN3CCCC3=O)C[C@H]2C)n1 ZINC000106775802 194251337 /nfs/dbraw/zinc/25/13/37/194251337.db2.gz FCXHYNYFICKWPD-CQSZACIVSA-N 1 0 322.478 1.975 50 0 DDAARO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2cccs2)n(C)c1=O ZINC000057378741 184036303 /nfs/dbraw/zinc/03/63/03/184036303.db2.gz PBUMWRKCOCKUSV-GFCCVEGCSA-N 1 0 305.403 1.483 50 0 DDAARO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000057942931 184063659 /nfs/dbraw/zinc/06/36/59/184063659.db2.gz CRHNLQPFRLUQNP-HNNXBMFYSA-N 1 0 306.406 1.227 50 0 DDAARO C[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058178640 184085208 /nfs/dbraw/zinc/08/52/08/184085208.db2.gz DYRQXZHVXGJBGG-RBSFLKMASA-N 1 0 317.499 1.673 50 0 DDAARO CC[C@@](C)(C[NH2+]Cc1c(C)nn(C)c1N(C)C)N1CCOCC1 ZINC000058393335 184112770 /nfs/dbraw/zinc/11/27/70/184112770.db2.gz OMRLBZFACXLFIY-KRWDZBQOSA-N 1 0 323.485 1.385 50 0 DDAARO COCCn1nc(C)c(CNCc2c(C)nn(C)c2OC)c1C ZINC000058432748 184117946 /nfs/dbraw/zinc/11/79/46/184117946.db2.gz PIBBSAHSDJUJHZ-UHFFFAOYSA-N 1 0 321.425 1.487 50 0 DDAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 ZINC000063159797 184275380 /nfs/dbraw/zinc/27/53/80/184275380.db2.gz FZUVQJFHNKPQPZ-UHFFFAOYSA-N 1 0 300.399 1.754 50 0 DDAARO Cc1onc(-c2ccccn2)c1C(=O)NCC[NH+]1CCCC1 ZINC000064472222 184298185 /nfs/dbraw/zinc/29/81/85/184298185.db2.gz HLQDSZFSDIQTPB-UHFFFAOYSA-N 1 0 300.362 1.871 50 0 DDAARO Nc1ncnc2c1ncn2CCC[N@@H+]1CCc2ccccc2C1 ZINC000063517070 184284250 /nfs/dbraw/zinc/28/42/50/184284250.db2.gz AUYZFSRACFMUOY-UHFFFAOYSA-N 1 0 308.389 1.857 50 0 DDAARO CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000065287672 184322552 /nfs/dbraw/zinc/32/25/52/184322552.db2.gz HVTJFTFYBVRFAV-CQSZACIVSA-N 1 0 305.426 1.565 50 0 DDAARO CCNC(=O)N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000065408376 184339019 /nfs/dbraw/zinc/33/90/19/184339019.db2.gz OSCWSXTWBCEMJG-OAHLLOKOSA-N 1 0 324.469 1.561 50 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O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(NC2CC2)nc1 ZINC000069537733 406732284 /nfs/dbraw/zinc/73/22/84/406732284.db2.gz UVYAYWHBQXKEMA-CABCVRRESA-N 1 0 316.405 1.249 50 0 DDAARO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000006936202 406743918 /nfs/dbraw/zinc/74/39/18/406743918.db2.gz PFDOMIHOTPTBDC-CVEARBPZSA-N 1 0 309.406 1.420 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000069707386 406759592 /nfs/dbraw/zinc/75/95/92/406759592.db2.gz ZDGRKFSYRGVMJC-CVEARBPZSA-N 1 0 321.465 1.626 50 0 DDAARO c1nc2n(n1)C[C@H]([NH2+]Cc1csc(-c3ccccn3)n1)CC2 ZINC000069491753 406723127 /nfs/dbraw/zinc/72/31/27/406723127.db2.gz LURYZNMTPVOLOM-LLVKDONJSA-N 1 0 312.402 1.901 50 0 DDAARO C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069879875 406787209 /nfs/dbraw/zinc/78/72/09/406787209.db2.gz YLZJUKNDZOEGNX-NEPJUHHUSA-N 1 0 311.426 1.500 50 0 DDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cn[nH]n3)CC2)cc1 ZINC000070009625 406802347 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CC1CC[NH+](C[C@@H](O)Cn2cnc3ccsc3c2=O)CC1 ZINC000071825063 406847621 /nfs/dbraw/zinc/84/76/21/406847621.db2.gz WSKZXTBQYAGVEJ-GFCCVEGCSA-N 1 0 307.419 1.551 50 0 DDAARO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000071830716 406848481 /nfs/dbraw/zinc/84/84/81/406848481.db2.gz HGHOUAWSNZCNPP-INIZCTEOSA-N 1 0 307.390 1.333 50 0 DDAARO Cc1ccc(N2CCC[C@H]([NH2+]CCOCC(F)(F)F)C2)nn1 ZINC000071859786 406854000 /nfs/dbraw/zinc/85/40/00/406854000.db2.gz OYRIKFGGDZBILB-LBPRGKRZSA-N 1 0 318.343 1.922 50 0 DDAARO C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N1CC[NH+](C)CC1 ZINC000071867481 406856436 /nfs/dbraw/zinc/85/64/36/406856436.db2.gz KEKZUDHOFOFOBJ-NSHDSACASA-N 1 0 313.804 1.845 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[NH+](CCc2ccccc2)CC1 ZINC000014167359 406871662 /nfs/dbraw/zinc/87/16/62/406871662.db2.gz HBCIUTKURRBTSA-UHFFFAOYSA-N 1 0 322.416 1.728 50 0 DDAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]CCCN1CCCC1=O)CC2 ZINC000072252991 406875235 /nfs/dbraw/zinc/87/52/35/406875235.db2.gz QIPAEDAZGNPEIB-CQSZACIVSA-N 1 0 319.453 1.566 50 0 DDAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C ZINC000014741299 406876305 /nfs/dbraw/zinc/87/63/05/406876305.db2.gz NJMUKWAXQACTBT-ZDUSSCGKSA-N 1 0 311.426 1.406 50 0 DDAARO Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000072272926 406877768 /nfs/dbraw/zinc/87/77/68/406877768.db2.gz PLYOPSLYSGCLTE-VOTSOKGWSA-N 1 0 304.438 1.850 50 0 DDAARO Cc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)o1 ZINC000015073390 406878480 /nfs/dbraw/zinc/87/84/80/406878480.db2.gz OGBCZBYOIICOJA-ZDUSSCGKSA-N 1 0 315.439 1.196 50 0 DDAARO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(=O)[nH]1 ZINC000075118817 406922493 /nfs/dbraw/zinc/92/24/93/406922493.db2.gz CNOZDNFVIWPHPE-AWEZNQCLSA-N 1 0 315.373 1.843 50 0 DDAARO Nc1nc2nc[nH]c2c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000031810427 406942269 /nfs/dbraw/zinc/94/22/69/406942269.db2.gz QUCGKMGPYXJPMC-UHFFFAOYSA-N 1 0 301.398 1.390 50 0 DDAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000032758153 406952704 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CNC(=O)C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2OC)c1 ZINC000215167947 407479227 /nfs/dbraw/zinc/47/92/27/407479227.db2.gz KFGFJWLYCSPHSQ-CYBMUJFWSA-N 1 0 316.405 1.837 50 0 DDAARO [NH3+][C@H]1CCN(Cc2ccc(OCCCn3ccnc3)cc2)C1 ZINC000215463825 407483688 /nfs/dbraw/zinc/48/36/88/407483688.db2.gz SMJFTBDWFAHBRE-INIZCTEOSA-N 1 0 300.406 1.885 50 0 DDAARO O=C(N[C@@H]1C[N@H+](C2CCCCCC2)C[C@H]1CO)c1cnccn1 ZINC000257193702 407488283 /nfs/dbraw/zinc/48/82/83/407488283.db2.gz RYQWOQUSWFEABS-XJKSGUPXSA-N 1 0 318.421 1.222 50 0 DDAARO CN(C)c1cccc(C(=O)N[C@@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000215835952 407490214 /nfs/dbraw/zinc/49/02/14/407490214.db2.gz WZJDVXPXYLBSJO-AWEZNQCLSA-N 1 0 303.406 1.394 50 0 DDAARO C[N@@H+]1CCN2CCN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@H]2C1 ZINC000218899389 407524952 /nfs/dbraw/zinc/52/49/52/407524952.db2.gz NXEGQAYSQTWYED-ZDUSSCGKSA-N 1 0 323.824 1.046 50 0 DDAARO CCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)[nH]1 ZINC000219922164 407535724 /nfs/dbraw/zinc/53/57/24/407535724.db2.gz QMRTZHNNZNAHNA-CABCVRRESA-N 1 0 309.410 1.043 50 0 DDAARO COCC[NH2+]CCNC(=O)c1cc(Br)ccc1F ZINC000152288237 407602819 /nfs/dbraw/zinc/60/28/19/407602819.db2.gz ZFTWSPNYLFHRAM-UHFFFAOYSA-N 1 0 319.174 1.554 50 0 DDAARO CC[N@H+]1C[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)[C@@H](C)C1 ZINC000229310696 407658434 /nfs/dbraw/zinc/65/84/34/407658434.db2.gz NEWWYBBLMDJHST-JQWIXIFHSA-N 1 0 308.407 1.181 50 0 DDAARO Cc1ccccc1[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)NC(N)=O ZINC000153216514 407779785 /nfs/dbraw/zinc/77/97/85/407779785.db2.gz WAEXHUXEDANGSD-GUTXKFCHSA-N 1 0 318.421 1.303 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000133579388 407858985 /nfs/dbraw/zinc/85/89/85/407858985.db2.gz VFIKKLRBLUAVAX-QGZVFWFLSA-N 1 0 317.433 1.343 50 0 DDAARO Cc1cc(C)c(CNC(=O)CC[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000244874166 407942536 /nfs/dbraw/zinc/94/25/36/407942536.db2.gz WVUQQSJRVMUOBI-OAHLLOKOSA-N 1 0 305.422 1.816 50 0 DDAARO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000263240779 408069404 /nfs/dbraw/zinc/06/94/04/408069404.db2.gz OOYCGSKHMJCUJK-KGYLQXTDSA-N 1 0 308.344 1.810 50 0 DDAARO C[C@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC[NH2+]1 ZINC000155231505 408140377 /nfs/dbraw/zinc/14/03/77/408140377.db2.gz BCBCALQXXNTNRV-UONOGXRCSA-N 1 0 304.390 1.678 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000246812229 408345965 /nfs/dbraw/zinc/34/59/65/408345965.db2.gz BVFHMYIINSAVTH-MGPQQGTHSA-N 1 0 304.456 1.204 50 0 DDAARO O[C@@H](COc1ccccc1)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247732644 408506603 /nfs/dbraw/zinc/50/66/03/408506603.db2.gz HYWXHJQHKHJREM-JKSUJKDBSA-N 1 0 316.405 1.573 50 0 DDAARO C[C@@H]1CN(CC[NH+]2CCC(N3CCCCC3=O)CC2)CCO1 ZINC000192759639 408643825 /nfs/dbraw/zinc/64/38/25/408643825.db2.gz NWHAKIBXDUAJOQ-OAHLLOKOSA-N 1 0 309.454 1.184 50 0 DDAARO COc1ccccc1CN(C)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252527847 408803781 /nfs/dbraw/zinc/80/37/81/408803781.db2.gz DMKLMACHAZEADV-BETUJISGSA-N 1 0 314.389 1.942 50 0 DDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000252666330 408807599 /nfs/dbraw/zinc/80/75/99/408807599.db2.gz BDPIKQRDMSKWOU-GXFFZTMASA-N 1 0 318.389 1.724 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000168305178 408818656 /nfs/dbraw/zinc/81/86/56/408818656.db2.gz QJBPYKQTGHXUSR-QWHCGFSZSA-N 1 0 310.467 1.781 50 0 DDAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)c2cccn3cnnc23)C1 ZINC000299774399 410617037 /nfs/dbraw/zinc/61/70/37/410617037.db2.gz HMSSHPOLXQUGPD-AWEZNQCLSA-N 1 0 315.421 1.779 50 0 DDAARO C[NH+](C)[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000299775200 410618455 /nfs/dbraw/zinc/61/84/55/410618455.db2.gz IWHURCQJKSTAKH-CYBMUJFWSA-N 1 0 322.430 1.155 50 0 DDAARO CC(C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299777401 410620176 /nfs/dbraw/zinc/62/01/76/410620176.db2.gz HASLTTGZGJBVDB-JKSUJKDBSA-N 1 0 311.470 1.445 50 0 DDAARO COc1ccc2[nH]c(CCN(C)C(=O)[C@@H]3C=CC[NH2+]3)nc2c1 ZINC000299789156 410630014 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O=C1CCCN1[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000108376087 418499413 /nfs/dbraw/zinc/49/94/13/418499413.db2.gz YBDMJDADSYGHAQ-KYJSFNMBSA-N 1 0 300.402 1.732 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2sccc2Br)CCO1 ZINC000122841135 418505652 /nfs/dbraw/zinc/50/56/52/418505652.db2.gz CQWIJVVPDCKJJR-VXNVDRBHSA-N 1 0 319.224 1.699 50 0 DDAARO COc1ccc2cc(C[N@@H+]3CCN(C)[C@@H](CO)C3)ccc2c1 ZINC000216163628 418559573 /nfs/dbraw/zinc/55/95/73/418559573.db2.gz YODWOBBIFVMLEQ-QGZVFWFLSA-N 1 0 300.402 1.957 50 0 DDAARO C[N@@H+]1CCN2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC000252587342 222246160 /nfs/dbraw/zinc/24/61/60/222246160.db2.gz XPDPXZRROHCLSR-GOSISDBHSA-N 1 0 323.444 1.575 50 0 DDAARO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)C1(C)C ZINC000253370861 222248917 /nfs/dbraw/zinc/24/89/17/222248917.db2.gz XJJCOSZJNMIIAZ-GDZNZVCISA-N 1 0 320.437 1.709 50 0 DDAARO Cc1cccc(CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000408518938 418806742 /nfs/dbraw/zinc/80/67/42/418806742.db2.gz LINZDHDXQGOJQS-DLBZAZTESA-N 1 0 301.434 1.780 50 0 DDAARO Cn1cc([C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C2(CO)CCC2)cn1 ZINC000408522935 418808708 /nfs/dbraw/zinc/80/87/08/418808708.db2.gz FFVLILZUIHCSAP-GHMZBOCLSA-N 1 0 307.316 1.137 50 0 DDAARO COc1cc(F)c(CSc2nnc(C[NH3+])n2C)cc1OC ZINC000426374407 419450417 /nfs/dbraw/zinc/45/04/17/419450417.db2.gz QPHYECVFKZMTEJ-UHFFFAOYSA-N 1 0 312.370 1.722 50 0 DDAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3ccn(CCO)n3)C2)CC1 ZINC000426414651 419464836 /nfs/dbraw/zinc/46/48/36/419464836.db2.gz NYLMRCJYHHFXJC-OAHLLOKOSA-N 1 0 320.437 1.066 50 0 DDAARO O=C(NCCCn1cccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426431396 419469417 /nfs/dbraw/zinc/46/94/17/419469417.db2.gz SSKSAQCVEHAULX-UHFFFAOYSA-N 1 0 319.449 1.885 50 0 DDAARO [NH3+]Cc1nnc(SC[C@H](O)C2CC2)n1-c1ccc(F)cc1 ZINC000426621562 419519143 /nfs/dbraw/zinc/51/91/43/419519143.db2.gz FINVXSGECOUGIF-LBPRGKRZSA-N 1 0 308.382 1.728 50 0 DDAARO O=C(c1nc2ccccc2[nH]1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000426541684 419501671 /nfs/dbraw/zinc/50/16/71/419501671.db2.gz VPBPOKIMHYEYKH-GJZGRUSLSA-N 1 0 314.389 1.234 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000057793472 276186720 /nfs/dbraw/zinc/18/67/20/276186720.db2.gz SKQVKKZEYMIORS-NSHDSACASA-N 1 0 318.377 1.049 50 0 DDAARO CC[NH+]1CCN(C(=O)/C=C2\Sc3ccccc3NC2=O)CC1 ZINC000020179206 276188414 /nfs/dbraw/zinc/18/84/14/276188414.db2.gz QCNGDUOSOJVNPA-KAMYIIQDSA-N 1 0 317.414 1.779 50 0 DDAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000215207784 277241055 /nfs/dbraw/zinc/24/10/55/277241055.db2.gz AMFPFNNDAREDEE-INIZCTEOSA-N 1 0 313.401 1.639 50 0 DDAARO CO[C@H]1CN(C(=O)c2c(C)nc3ccc(Cl)cn32)CC[C@H]1[NH3+] ZINC000071738636 277749169 /nfs/dbraw/zinc/74/91/69/277749169.db2.gz CFWMHECKSVGJBR-NEPJUHHUSA-N 1 0 322.796 1.484 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@H]1C[NH3+] ZINC000237452634 278478631 /nfs/dbraw/zinc/47/86/31/278478631.db2.gz XHTOPHASUUKBDP-ABAIWWIYSA-N 1 0 317.368 1.606 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000065403938 279032509 /nfs/dbraw/zinc/03/25/09/279032509.db2.gz XRBJCPFDRSZUCQ-LBPRGKRZSA-N 1 0 323.824 1.761 50 0 DDAARO CC[NH+](CC)CCCN1C[C@@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000252550893 279096174 /nfs/dbraw/zinc/09/61/74/279096174.db2.gz SZZQJDIGWSDDGT-ZIAGYGMSSA-N 1 0 305.488 1.073 50 0 DDAARO CC(C)[C@@H](CNC(=O)c1cccc[n+]1[O-])[NH+]1CCC(C)CC1 ZINC000052822801 279851171 /nfs/dbraw/zinc/85/11/71/279851171.db2.gz AASRNSLISGNDFW-MRXNPFEDSA-N 1 0 305.422 1.806 50 0 DDAARO CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)[NH+](C)C ZINC000095441654 280082397 /nfs/dbraw/zinc/08/23/97/280082397.db2.gz XFGFCVPZGHQHRA-GJZGRUSLSA-N 1 0 303.406 1.941 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000106869444 290112537 /nfs/dbraw/zinc/11/25/37/290112537.db2.gz VNEGAGCMQMUXFN-GJZGRUSLSA-N 1 0 311.470 1.212 50 0 DDAARO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2sccn2c1=O ZINC000237899033 295248310 /nfs/dbraw/zinc/24/83/10/295248310.db2.gz OSEFVVWWIXJBDF-ONGXEEELSA-N 1 0 306.391 1.003 50 0 DDAARO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)O)CC[N@@H+]2C2CC2)c1 ZINC000097047605 295321603 /nfs/dbraw/zinc/32/16/03/295321603.db2.gz MPKMOVVNANYCPP-IUIKQTSFSA-N 1 0 304.390 1.470 50 0 DDAARO Cc1ccccc1[C@@H](C)[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000253398395 302118765 /nfs/dbraw/zinc/11/87/65/302118765.db2.gz MDKVFPAZBQYMDI-HUUCEWRRSA-N 1 0 305.422 1.174 50 0 DDAARO O=S(=O)(Cc1ccccc1Cl)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000534577278 334288067 /nfs/dbraw/zinc/28/80/67/334288067.db2.gz KZTJPRKJMMAOTQ-YPMHNXCESA-N 1 0 314.838 1.854 50 0 DDAARO CC1(C)Cc2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)ccc2O1 ZINC000534580345 334288887 /nfs/dbraw/zinc/28/88/87/334288887.db2.gz KIZLFZVDXKHGGK-AWEZNQCLSA-N 1 0 304.390 1.395 50 0 DDAARO [NH3+]CC[C@@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCO1 ZINC000534580785 334289239 /nfs/dbraw/zinc/28/92/39/334289239.db2.gz NGTBPGQXRTZCDO-GFCCVEGCSA-N 1 0 318.826 1.219 50 0 DDAARO O=C(NCCCn1cccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534644874 334306682 /nfs/dbraw/zinc/30/66/82/334306682.db2.gz QSFLYFZRXKDVEV-UHFFFAOYSA-N 1 0 313.405 1.805 50 0 DDAARO Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)on1 ZINC000534637881 334309924 /nfs/dbraw/zinc/30/99/24/334309924.db2.gz UTJZTNGZVHAETR-AWEZNQCLSA-N 1 0 300.362 1.772 50 0 DDAARO CCOC(=O)c1cnc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1C ZINC000096496065 337382461 /nfs/dbraw/zinc/38/24/61/337382461.db2.gz RMMACSGSSYIEAY-DGCLKSJQSA-N 1 0 306.410 1.881 50 0 DDAARO C[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1 ZINC000077194408 483962723 /nfs/dbraw/zinc/96/27/23/483962723.db2.gz XTJZYJHKRJVOEY-UHFFFAOYSA-N 1 0 324.446 1.549 50 0 DDAARO Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)C2CC2)o1 ZINC000084195407 483991255 /nfs/dbraw/zinc/99/12/55/483991255.db2.gz GDNJRWHDCUVAJG-AWEZNQCLSA-N 1 0 306.406 1.783 50 0 DDAARO COCC[N@@H+]1C[C@H](NC(=O)c2csc(C)n2)[C@@H](C2CC2)C1 ZINC000091451928 484011828 /nfs/dbraw/zinc/01/18/28/484011828.db2.gz RIHQJFSXEWQLGV-OLZOCXBDSA-N 1 0 309.435 1.538 50 0 DDAARO Cc1cccc(CC(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)c1 ZINC000216094049 484140509 /nfs/dbraw/zinc/14/05/09/484140509.db2.gz SWASIOGCGKUZKT-GOSISDBHSA-N 1 0 304.434 1.700 50 0 DDAARO COC[C@@]1(CNC(=O)c2ccc(F)c3ccncc23)CCC[NH2+]1 ZINC000659309343 484758485 /nfs/dbraw/zinc/75/84/85/484758485.db2.gz XDPDHLMWPLHIMR-KRWDZBQOSA-N 1 0 317.364 1.872 50 0 DDAARO O[C@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000670454161 484839620 /nfs/dbraw/zinc/83/96/20/484839620.db2.gz FWWWNCXPYSHUOD-RYUDHWBXSA-N 1 0 301.312 1.746 50 0 DDAARO CC(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004122555 535374314 /nfs/dbraw/zinc/37/43/14/535374314.db2.gz UNRRTGXFYCNANA-UHFFFAOYSA-N 1 0 320.462 1.907 50 0 DDAARO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[NH2+]CCO ZINC000012135388 696048737 /nfs/dbraw/zinc/04/87/37/696048737.db2.gz VRBQYOWDHJBABE-UHFFFAOYSA-N 1 0 307.325 1.270 50 0 DDAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000015073223 696057138 /nfs/dbraw/zinc/05/71/38/696057138.db2.gz OWLYPHSNIWVFCW-IAGOWNOFSA-N 1 0 324.852 1.732 50 0 DDAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H](O)C[NH3+] ZINC000067974825 696366023 /nfs/dbraw/zinc/36/60/23/696366023.db2.gz APSMWQOWEIONBT-CQSZACIVSA-N 1 0 315.373 1.427 50 0 DDAARO CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCCN(C=O)CC2)C1 ZINC000722648008 699319678 /nfs/dbraw/zinc/31/96/78/699319678.db2.gz HOQPBZTWBXNFKW-UHFFFAOYSA-N 1 0 311.426 1.454 50 0 DDAARO C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000812331820 702155842 /nfs/dbraw/zinc/15/58/42/702155842.db2.gz HYRSIKNLUOPCSM-MELADBBJSA-N 1 0 323.437 1.406 50 0 DDAARO COc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000864092779 706065560 /nfs/dbraw/zinc/06/55/60/706065560.db2.gz XRDAVHSWCUYOJA-NEFCLYRVSA-N 1 0 304.390 1.959 50 0 DDAARO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC1=O ZINC000864094283 706065700 /nfs/dbraw/zinc/06/57/00/706065700.db2.gz OTPYVEFKLIXWJR-ZBFHGGJFSA-N 1 0 315.417 1.881 50 0 DDAARO Cc1nc([C@H]([NH3+])[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cn1C ZINC000958528125 716612216 /nfs/dbraw/zinc/61/22/16/716612216.db2.gz MRAIKIMNMSBMSQ-BBRMVZONSA-N 1 0 324.425 1.490 50 0 DDAARO CC(C)(C)OC(=O)N1CCC(O)([C@@H]([NH3+])c2cncnc2)CC1 ZINC000958528153 716612348 /nfs/dbraw/zinc/61/23/48/716612348.db2.gz KCRZHMXNHULUHF-LBPRGKRZSA-N 1 0 308.382 1.238 50 0 DDAARO COc1ccc(F)c(F)c1CNCC[N@@H+]1CCCC[C@@H]1CO ZINC000952966616 721528642 /nfs/dbraw/zinc/52/86/42/721528642.db2.gz VOYPTVPKGDFROF-GFCCVEGCSA-N 1 0 314.376 1.910 50 0 DDAARO Cn1nccc1C(=O)N1CCC(OC2CC[NH+](C)CC2)CC1 ZINC000169749023 744187453 /nfs/dbraw/zinc/18/74/53/744187453.db2.gz ALUZZHXHBMAZAT-UHFFFAOYSA-N 1 0 306.410 1.136 50 0 DDAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000823412721 758312910 /nfs/dbraw/zinc/31/29/10/758312910.db2.gz MALLBRBITIBNDR-SECBINFHSA-N 1 0 314.436 1.109 50 0 DDAARO COc1ncc(CN2CCCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000824851818 759211346 /nfs/dbraw/zinc/21/13/46/759211346.db2.gz JPUFEZPGLBEYMJ-UHFFFAOYSA-N 1 0 319.453 1.087 50 0 DDAARO Cc1cc(N[C@H]2CCc3c[nH]nc3C2)nc(N2CCOCC2)[nH+]1 ZINC000825138888 759226751 /nfs/dbraw/zinc/22/67/51/759226751.db2.gz BSHQFUTVDIKFDI-ZDUSSCGKSA-N 1 0 314.393 1.314 50 0 DDAARO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCc2n[nH]cc2C1 ZINC000827971509 759431800 /nfs/dbraw/zinc/43/18/00/759431800.db2.gz BIWOEWWYFWGJCF-UHFFFAOYSA-N 1 0 317.437 1.884 50 0 DDAARO O=C(NCC1CC[NH+](C[C@@H]2CCCOC2)CC1)c1ccon1 ZINC000828228816 759563565 /nfs/dbraw/zinc/56/35/65/759563565.db2.gz XKNHGQCGKNJWLA-AWEZNQCLSA-N 1 0 307.394 1.543 50 0 DDAARO COc1ccc(CC[N@@H+]2CC[C@@]3(C2)C(=O)N(C)C(=O)N3C)cc1 ZINC000581782921 761701595 /nfs/dbraw/zinc/70/15/95/761701595.db2.gz FLOABIWSKICJCR-QGZVFWFLSA-N 1 0 317.389 1.206 50 0 DDAARO Cc1nn(C)c2nc(NCCN3CC[NH+](C(C)C)CC3)sc12 ZINC000095512829 185376421 /nfs/dbraw/zinc/37/64/21/185376421.db2.gz SJZMGUDNXCKLCR-UHFFFAOYSA-N 1 0 322.482 1.776 50 0 DDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000225426037 201706150 /nfs/dbraw/zinc/70/61/50/201706150.db2.gz VZNFFBJWWNUSGL-JTQLQIEISA-N 1 0 306.790 1.603 50 0 DDAARO CCCS(=O)(=O)CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000089960360 185271995 /nfs/dbraw/zinc/27/19/95/185271995.db2.gz OASIHACFBKNKJA-UKRRQHHQSA-N 1 0 305.484 1.978 50 0 DDAARO Cc1ccccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1=O ZINC000082107772 192356354 /nfs/dbraw/zinc/35/63/54/192356354.db2.gz XBQVKEPBLMVGJV-UHFFFAOYSA-N 1 0 301.390 1.266 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000095402481 185354669 /nfs/dbraw/zinc/35/46/69/185354669.db2.gz ZAKXJJFVVVTDNF-CFVMTHIKSA-N 1 0 311.470 1.916 50 0 DDAARO C/C=C/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000095446277 185367468 /nfs/dbraw/zinc/36/74/68/185367468.db2.gz CBHBPRYNLKHJGR-PZZNQTFXSA-N 1 0 300.402 1.870 50 0 DDAARO C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000083248612 192368704 /nfs/dbraw/zinc/36/87/04/192368704.db2.gz TUKPKNOPUAWHIY-OAHLLOKOSA-N 1 0 317.433 1.576 50 0 DDAARO C[C@@H](C(=O)NCc1nccn1CCc1ccccc1)[NH+](C)C ZINC000584907835 539555777 /nfs/dbraw/zinc/55/57/77/539555777.db2.gz PSFUBNNVOIJQPL-AWEZNQCLSA-N 1 0 300.406 1.692 50 0 DDAARO Cc1cocc1C(=O)N1Cc2nnc(C)n2C[C@H]1C[NH+](C)C ZINC000685943219 539567862 /nfs/dbraw/zinc/56/78/62/539567862.db2.gz TYAUSPFOSDXDDW-GFCCVEGCSA-N 1 0 303.366 1.074 50 0 DDAARO Cn1cc(Br)cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044542089 282617135 /nfs/dbraw/zinc/61/71/35/282617135.db2.gz PJDJIHLEVQDUML-JTQLQIEISA-N 1 0 300.200 1.741 50 0 DDAARO O=C(c1ccccc1OC[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000070463075 190899582 /nfs/dbraw/zinc/89/95/82/190899582.db2.gz JBMYZXVWYGPZBQ-CQSZACIVSA-N 1 0 304.390 1.537 50 0 DDAARO CC(C)[NH+]1CCC(c2nccn2CCCc2nn[nH]n2)CC1 ZINC000072174238 191071466 /nfs/dbraw/zinc/07/14/66/191071466.db2.gz NZGJSGPFQBBETM-UHFFFAOYSA-N 1 0 303.414 1.617 50 0 DDAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+]CCn2cccn2)cc1C 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DDAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000072299764 353197041 /nfs/dbraw/zinc/19/70/41/353197041.db2.gz LTZATHKFLSTRFA-KOLCDFICSA-N 1 0 318.343 1.937 50 0 DDAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCCCOC ZINC000072299768 353197224 /nfs/dbraw/zinc/19/72/24/353197224.db2.gz CPGCEYKPSVQOPU-OCCSQVGLSA-N 1 0 308.426 1.411 50 0 DDAARO Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300712 353197298 /nfs/dbraw/zinc/19/72/98/353197298.db2.gz OVCAPQVPRJVZPO-WMLDXEAASA-N 1 0 301.390 1.805 50 0 DDAARO C[N@H+](CCO)C1(CNC(=O)NCC(F)(F)F)CCCCC1 ZINC000075139417 353350338 /nfs/dbraw/zinc/35/03/38/353350338.db2.gz ICZQUFRDPZZUOA-UHFFFAOYSA-N 1 0 311.348 1.475 50 0 DDAARO CCCc1nnc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CCO2)[nH]1 ZINC000076046649 353393035 /nfs/dbraw/zinc/39/30/35/353393035.db2.gz FTCSYVVSVPMWBX-OLZOCXBDSA-N 1 0 321.425 1.141 50 0 DDAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000076056960 353394650 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C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000043095367 183337773 /nfs/dbraw/zinc/33/77/73/183337773.db2.gz LYTBDMPPPFTFAX-GHMZBOCLSA-N 1 0 310.423 1.010 50 0 DDAARO Cc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2CCO)n1 ZINC000104457791 194008907 /nfs/dbraw/zinc/00/89/07/194008907.db2.gz WUDMYGSFUSLAQO-GOSISDBHSA-N 1 0 319.449 1.438 50 0 DDAARO Cn1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc2ccccc21 ZINC000106184130 194188865 /nfs/dbraw/zinc/18/88/65/194188865.db2.gz QRPNUWTXIFGSDM-LSDHHAIUSA-N 1 0 313.401 1.771 50 0 DDAARO CC(=O)N[C@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1cccs1 ZINC000055718985 183995468 /nfs/dbraw/zinc/99/54/68/183995468.db2.gz ASOHZGQUNXYQIB-ZIAGYGMSSA-N 1 0 323.462 1.772 50 0 DDAARO NC(=O)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000057958511 184064278 /nfs/dbraw/zinc/06/42/78/184064278.db2.gz CVHARKYIQWCMOP-NWDGAFQWSA-N 1 0 301.312 1.439 50 0 DDAARO Oc1ccc(C2=CC[N@H+](C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000058391968 184111326 /nfs/dbraw/zinc/11/13/26/184111326.db2.gz 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C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc21 ZINC000073102645 257240077 /nfs/dbraw/zinc/24/00/77/257240077.db2.gz MMLPETLQVVJCAL-CQSZACIVSA-N 1 0 314.389 1.420 50 0 DDAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2OCCCO2)C1 ZINC000373538103 257261012 /nfs/dbraw/zinc/26/10/12/257261012.db2.gz UHNQUZIROVVUEG-LSDHHAIUSA-N 1 0 304.390 1.354 50 0 DDAARO COc1cccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000222853915 407562049 /nfs/dbraw/zinc/56/20/49/407562049.db2.gz TZVVEQTVSBTKQX-UHFFFAOYSA-N 1 0 313.405 1.909 50 0 DDAARO CCOc1c(Br)cc(C[NH2+]CCO)cc1OC ZINC000002885329 406703807 /nfs/dbraw/zinc/70/38/07/406703807.db2.gz UVJQFWBOOUVIMH-UHFFFAOYSA-N 1 0 304.184 1.938 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000069377888 406702880 /nfs/dbraw/zinc/70/28/80/406702880.db2.gz HTWMDNAEBQJQKM-ZDUSSCGKSA-N 1 0 318.446 1.898 50 0 DDAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1cccc3c1OCO3)CC2 ZINC000069590028 406739040 /nfs/dbraw/zinc/73/90/40/406739040.db2.gz GLBHMFJYSUQEJR-GFCCVEGCSA-N 1 0 314.389 1.921 50 0 DDAARO CCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](C)CC1 ZINC000006700810 406739279 /nfs/dbraw/zinc/73/92/79/406739279.db2.gz YCDNIWNUDJRPGU-UHFFFAOYSA-N 1 0 305.378 1.574 50 0 DDAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069621028 406746951 /nfs/dbraw/zinc/74/69/51/406746951.db2.gz AQVTZHDAWVDOKU-ZIAGYGMSSA-N 1 0 322.434 1.382 50 0 DDAARO CCc1ccc2c(C[n+]3cccc(C(N)=O)c3)cc(=O)oc2c1 ZINC000007738814 406766823 /nfs/dbraw/zinc/76/68/23/406766823.db2.gz PSXFTQUBKOUJTR-UHFFFAOYSA-O 1 0 309.345 1.790 50 0 DDAARO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1CC ZINC000007781807 406767534 /nfs/dbraw/zinc/76/75/34/406767534.db2.gz SMDAXAIYOLTMIN-GFCCVEGCSA-N 1 0 309.410 1.771 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](CCNc2ncc(S(N)(=O)=O)s2)C1 ZINC000069487110 406720517 /nfs/dbraw/zinc/72/05/17/406720517.db2.gz BMEIHNOIVKNJLX-NXEZZACHSA-N 1 0 318.468 1.180 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000069848144 406781663 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Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cnc(N3CCCC3)nc1)CC2 ZINC000069951723 406796215 /nfs/dbraw/zinc/79/62/15/406796215.db2.gz HDDNNLBLAYSQCK-AWEZNQCLSA-N 1 0 313.409 1.081 50 0 DDAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1=O ZINC000012204415 406839350 /nfs/dbraw/zinc/83/93/50/406839350.db2.gz NVNFJTLMLUQREP-SFHVURJKSA-N 1 0 317.433 1.851 50 0 DDAARO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000012569643 406848379 /nfs/dbraw/zinc/84/83/79/406848379.db2.gz LAWLCHLREIVSPN-ZIAGYGMSSA-N 1 0 324.421 1.048 50 0 DDAARO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000071841353 406851362 /nfs/dbraw/zinc/85/13/62/406851362.db2.gz ZUAONAGLCHZZCL-JKSUJKDBSA-N 1 0 302.422 1.610 50 0 DDAARO Cc1noc(C)c1CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000071856703 406853884 /nfs/dbraw/zinc/85/38/84/406853884.db2.gz AXJOIZCFEVOIAT-KGLIPLIRSA-N 1 0 322.409 1.296 50 0 DDAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)CC2 ZINC000071877329 406859601 /nfs/dbraw/zinc/85/96/01/406859601.db2.gz 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406878449 /nfs/dbraw/zinc/87/84/49/406878449.db2.gz QXLLNURGURIDNO-KRWDZBQOSA-N 1 0 312.454 1.497 50 0 DDAARO Cc1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1C ZINC000072304034 406881046 /nfs/dbraw/zinc/88/10/46/406881046.db2.gz CVQUYZNREWTHHN-INIZCTEOSA-N 1 0 307.438 1.743 50 0 DDAARO OCC[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019226826 406884688 /nfs/dbraw/zinc/88/46/88/406884688.db2.gz DBXGLMSEKASPCD-KRWDZBQOSA-N 1 0 323.868 1.919 50 0 DDAARO COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000074051906 406900668 /nfs/dbraw/zinc/90/06/68/406900668.db2.gz GZMPJFPYHAGWGT-HIFRSBDPSA-N 1 0 304.390 1.719 50 0 DDAARO O=C(C[NH+]1CCCCCC1)NCc1cccnc1-n1ccnc1 ZINC000012446831 406844753 /nfs/dbraw/zinc/84/47/53/406844753.db2.gz AISDCHCKUQEEAT-UHFFFAOYSA-N 1 0 313.405 1.760 50 0 DDAARO COCCC[N@@H+](Cc1cccn1C)C[C@H](O)COCC(C)C ZINC000036098186 406975660 /nfs/dbraw/zinc/97/56/60/406975660.db2.gz FEVDDJLCUPOLAE-KRWDZBQOSA-N 1 0 312.454 1.897 50 0 DDAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc[n+]1[O-] ZINC000078429180 407028241 /nfs/dbraw/zinc/02/82/41/407028241.db2.gz HUHNSMSYYVFCJJ-MRXNPFEDSA-N 1 0 311.385 1.714 50 0 DDAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](O)C1 ZINC000045026974 407037865 /nfs/dbraw/zinc/03/78/65/407037865.db2.gz IHBSBQSKJCHWPC-KRWDZBQOSA-N 1 0 317.433 1.817 50 0 DDAARO CC[C@@H](C)Oc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000077380058 406987993 /nfs/dbraw/zinc/98/79/93/406987993.db2.gz WEUMKPAIRPDEKB-GFCCVEGCSA-N 1 0 317.393 1.344 50 0 DDAARO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000084636466 407091230 /nfs/dbraw/zinc/09/12/30/407091230.db2.gz LSTKAHWSIVAWBZ-KBPBESRZSA-N 1 0 323.441 1.903 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC000048302361 407095180 /nfs/dbraw/zinc/09/51/80/407095180.db2.gz GQTLSSKFOARQMN-KGLIPLIRSA-N 1 0 307.394 1.752 50 0 DDAARO Cc1ccc(F)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000048375328 407097451 /nfs/dbraw/zinc/09/74/51/407097451.db2.gz 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/nfs/dbraw/zinc/19/34/46/407193446.db2.gz ANZPBDQHTFNKOS-UHFFFAOYSA-N 1 0 309.454 1.771 50 0 DDAARO CCN1CC[C@]2(CN(c3ccncc3F)CC[N@@H+]2C)CCC1=O ZINC000095366575 407209866 /nfs/dbraw/zinc/20/98/66/407209866.db2.gz LVVHGGFMFSYFGV-KRWDZBQOSA-N 1 0 320.412 1.744 50 0 DDAARO Cc1ccncc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000096411859 407261767 /nfs/dbraw/zinc/26/17/67/407261767.db2.gz IRKIZTSHLJZGCI-ZDUSSCGKSA-N 1 0 318.421 1.567 50 0 DDAARO CCCn1cnnc1[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000095387872 407213193 /nfs/dbraw/zinc/21/31/93/407213193.db2.gz KXVUVDFESYTBBJ-ZDUSSCGKSA-N 1 0 307.442 1.986 50 0 DDAARO C[N@H+](CCN1CCOCC1)C[C@@H]1CCOc2ccccc2C1 ZINC000095509995 407213965 /nfs/dbraw/zinc/21/39/65/407213965.db2.gz HEUCVKCMIKWZMF-MRXNPFEDSA-N 1 0 304.434 1.892 50 0 DDAARO CC1CC[NH+](C[C@H](O)COc2ccccc2CC(N)=O)CC1 ZINC000095439114 407214615 /nfs/dbraw/zinc/21/46/15/407214615.db2.gz MSDQZZFVPONQLT-HNNXBMFYSA-N 1 0 306.406 1.186 50 0 DDAARO C[NH+](C)CCC1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000095939433 407215001 /nfs/dbraw/zinc/21/50/01/407215001.db2.gz YRFUPKBSDXBAAF-AWEZNQCLSA-N 1 0 304.456 1.159 50 0 DDAARO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000058157850 407218934 /nfs/dbraw/zinc/21/89/34/407218934.db2.gz GGVFKCMVBJUQSL-LBPRGKRZSA-N 1 0 309.797 1.932 50 0 DDAARO CCc1ncc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000095984866 407220942 /nfs/dbraw/zinc/22/09/42/407220942.db2.gz UCMCJMCSQZWAAN-ZDUSSCGKSA-N 1 0 303.410 1.989 50 0 DDAARO C[NH+]1CCC(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000058393635 407221198 /nfs/dbraw/zinc/22/11/98/407221198.db2.gz LZDFMTCMQGXVCL-HNNXBMFYSA-N 1 0 317.437 1.151 50 0 DDAARO NC(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000095988044 407221272 /nfs/dbraw/zinc/22/12/72/407221272.db2.gz TWIUMNUKQGVMIM-XHSDSOJGSA-N 1 0 300.402 1.875 50 0 DDAARO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000095987356 407221422 /nfs/dbraw/zinc/22/14/22/407221422.db2.gz PRBUNCXHVUTBML-IAGOWNOFSA-N 1 0 310.401 1.647 50 0 DDAARO C1C[C@@H](c2noc(C3CC[NH+](C4CCOCC4)CC3)n2)CO1 ZINC000096140839 407240074 /nfs/dbraw/zinc/24/00/74/407240074.db2.gz RJNUZZJABMDIGX-CYBMUJFWSA-N 1 0 307.394 1.932 50 0 DDAARO CN(C)C(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255874 407241076 /nfs/dbraw/zinc/24/10/76/407241076.db2.gz TYHGPWIIGCPVBD-MRXNPFEDSA-N 1 0 310.401 1.934 50 0 DDAARO Cc1cc(NCc2cc(=O)[nH]cn2)nc(N2CCCCC2)[nH+]1 ZINC000065387801 407243147 /nfs/dbraw/zinc/24/31/47/407243147.db2.gz RBVYBFGKDVKSLR-UHFFFAOYSA-N 1 0 300.366 1.883 50 0 DDAARO CSC[C@@](C)(O)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000096478074 407270741 /nfs/dbraw/zinc/27/07/41/407270741.db2.gz UYEDUWLAKRVDTF-KOLCDFICSA-N 1 0 322.272 1.738 50 0 DDAARO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000096495039 407273391 /nfs/dbraw/zinc/27/33/91/407273391.db2.gz OCHIMBXTRRNZGF-ZDUSSCGKSA-N 1 0 305.422 1.597 50 0 DDAARO CCc1cnc(C)nc1N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067712573 407281476 /nfs/dbraw/zinc/28/14/76/407281476.db2.gz 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Cn1cc([C@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCO2)cn1 ZINC000237714400 279351105 /nfs/dbraw/zinc/35/11/05/279351105.db2.gz BQDDYEMKUQFFHB-BJJXKVORSA-N 1 0 306.410 1.012 50 0 DDAARO CCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000122196284 280030062 /nfs/dbraw/zinc/03/00/62/280030062.db2.gz GIYJJXFRTSSDKV-WFASDCNBSA-N 1 0 324.446 1.822 50 0 DDAARO CC[C@@H](CNc1ncc(C)c(N(C)C)n1)[NH+]1CCN(C)CC1 ZINC000065468450 280146603 /nfs/dbraw/zinc/14/66/03/280146603.db2.gz KCGSRJQJAQGRID-AWEZNQCLSA-N 1 0 306.458 1.289 50 0 DDAARO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237538054 288395486 /nfs/dbraw/zinc/39/54/86/288395486.db2.gz OIYFOUVHAMNAIK-UGFHNGPFSA-N 1 0 324.808 1.617 50 0 DDAARO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000089091940 295256223 /nfs/dbraw/zinc/25/62/23/295256223.db2.gz RLHSBSHNFMJOEG-KWQFWETISA-N 1 0 306.790 1.885 50 0 DDAARO C[C@H](C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000163570051 298100744 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CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000097096190 337382170 /nfs/dbraw/zinc/38/21/70/337382170.db2.gz NZZQQBOSHMSQFI-UHFFFAOYSA-N 1 0 302.382 1.507 50 0 DDAARO Cc1cc(C[NH+]2CCSCC2)ccc1NS(C)(=O)=O ZINC000130308561 337383189 /nfs/dbraw/zinc/38/31/89/337383189.db2.gz BOLQPQRWPUNIHJ-UHFFFAOYSA-N 1 0 300.449 1.915 50 0 DDAARO O=C(NC[C@@]1(O)CCSC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000304702203 337383763 /nfs/dbraw/zinc/38/37/63/337383763.db2.gz JTXKJBFRASCWTD-CJNGLKHVSA-N 1 0 312.479 1.625 50 0 DDAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000585094179 483921569 /nfs/dbraw/zinc/92/15/69/483921569.db2.gz MZIQTDYXCRYNHK-SOUVJXGZSA-N 1 0 300.443 1.665 50 0 DDAARO CCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000083836850 483984796 /nfs/dbraw/zinc/98/47/96/483984796.db2.gz SBOATRUTMGIYEG-GJZGRUSLSA-N 1 0 307.442 1.149 50 0 DDAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cnn3ccccc23)cn1 ZINC000084317579 483993806 /nfs/dbraw/zinc/99/38/06/483993806.db2.gz 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527411235 /nfs/dbraw/zinc/41/12/35/527411235.db2.gz HWLKZJHIRPPLIQ-LBPRGKRZSA-N 1 0 303.387 1.895 50 0 DDAARO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000121817677 696716219 /nfs/dbraw/zinc/71/62/19/696716219.db2.gz YCFBXZUMPUDAMD-LBPRGKRZSA-N 1 0 319.405 1.276 50 0 DDAARO NC(=O)C1(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012762135 696051674 /nfs/dbraw/zinc/05/16/74/696051674.db2.gz NULQFJJRSJPQDV-HNNXBMFYSA-N 1 0 315.417 1.075 50 0 DDAARO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]CCOC(C)C)C2 ZINC000014540020 696055607 /nfs/dbraw/zinc/05/56/07/696055607.db2.gz NUCJIEVWFQIEDI-LBPRGKRZSA-N 1 0 308.426 1.135 50 0 DDAARO OCc1ccc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)o1 ZINC000014955783 696056559 /nfs/dbraw/zinc/05/65/59/696056559.db2.gz VRGVTGJFXWNZSG-IAGOWNOFSA-N 1 0 308.422 1.583 50 0 DDAARO Cc1nnc(CCC(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)[nH]1 ZINC000032519449 696124233 /nfs/dbraw/zinc/12/42/33/696124233.db2.gz GAUFUTBGXNNOKG-ZDUSSCGKSA-N 1 0 307.442 1.672 50 0 DDAARO C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104346091 696619884 /nfs/dbraw/zinc/61/98/84/696619884.db2.gz ITOBCSMIRNAWMP-MRXNPFEDSA-N 1 0 306.454 1.956 50 0 DDAARO C[C@H](CNC(=O)/C=C/c1cnccn1)N1C[C@@H](C)O[C@H](C)C1 ZINC000107493619 696631023 /nfs/dbraw/zinc/63/10/23/696631023.db2.gz KNFDLDNGJXJQCT-TUCADOHPSA-N 1 0 304.394 1.104 50 0 DDAARO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1cc(C)nn1C)CC2 ZINC000169782627 697345294 /nfs/dbraw/zinc/34/52/94/697345294.db2.gz GRBSBLWXWZTTEI-AWEZNQCLSA-N 1 0 320.437 1.159 50 0 DDAARO O=C1CCCN1CC[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000244564082 697821549 /nfs/dbraw/zinc/82/15/49/697821549.db2.gz CMENOEWABMGGHR-KRWDZBQOSA-N 1 0 303.406 1.449 50 0 DDAARO CCCNC(=O)c1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000863982506 706049999 /nfs/dbraw/zinc/04/99/99/706049999.db2.gz QBTBRXVIZUMYAO-CQSZACIVSA-N 1 0 303.406 1.441 50 0 DDAARO Cc1noc(CCCNC(=O)NCC[N@@H+]2CCCC2(C)C)n1 ZINC000888096949 709212239 /nfs/dbraw/zinc/21/22/39/709212239.db2.gz XHXMBOKGQWWGDN-UHFFFAOYSA-N 1 0 309.414 1.484 50 0 DDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCN2CCCCCC2=O)C1 ZINC000952964805 721528667 /nfs/dbraw/zinc/52/86/67/721528667.db2.gz ABHFKRQKPQGNGQ-HNNXBMFYSA-N 1 0 321.465 1.864 50 0 DDAARO O[C@@H]1CCC[N@H+](CCCNCc2ccnn2-c2ccccc2)C1 ZINC000952971334 721529723 /nfs/dbraw/zinc/52/97/23/721529723.db2.gz JOKNNVWHEXFTIL-GOSISDBHSA-N 1 0 314.433 1.809 50 0 DDAARO CN(CC(=O)Nc1cccc(-n2cccn2)c1)C1CC[NH2+]CC1 ZINC000952977989 721530815 /nfs/dbraw/zinc/53/08/15/721530815.db2.gz WPDYSEHLVFPNAT-UHFFFAOYSA-N 1 0 313.405 1.495 50 0 DDAARO CC[C@H](C(=O)NCCNC(=O)c1ccc(F)cc1)[N@H+](C)CC ZINC000952980650 721531112 /nfs/dbraw/zinc/53/11/12/721531112.db2.gz KQPMQIYNXUFGTQ-CQSZACIVSA-N 1 0 309.385 1.402 50 0 DDAARO CC[C@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)[N@H+](C)CC ZINC000822549885 758222356 /nfs/dbraw/zinc/22/23/56/758222356.db2.gz UZVGBTZOHGQMCJ-CYBMUJFWSA-N 1 0 323.462 1.763 50 0 DDAARO O=C(CCCn1cncn1)N1CCC([NH+]2CCSCC2)CC1 ZINC000827911315 759407525 /nfs/dbraw/zinc/40/75/25/759407525.db2.gz VYJIUKKRKOPMMJ-UHFFFAOYSA-N 1 0 323.466 1.098 50 0 DDAARO O=S1(=O)CCC(N2CCC([NH2+][C@@H]3CCSC3)CC2)CC1 ZINC000828395686 759633005 /nfs/dbraw/zinc/63/30/05/759633005.db2.gz YRTSZYVTWGAPAP-CYBMUJFWSA-N 1 0 318.508 1.123 50 0 DDAARO CCc1ccccc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000585115194 771947896 /nfs/dbraw/zinc/94/78/96/771947896.db2.gz QLNDMUYNYKINEI-LSDHHAIUSA-N 1 0 308.447 1.821 50 0 DDAARO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COC[C@@H]1CCCO1 ZINC000585126241 771958120 /nfs/dbraw/zinc/95/81/20/771958120.db2.gz UAURNVUVHNYGQW-OAGGEKHMSA-N 1 0 312.454 1.903 50 0 DDAARO COc1cc(C[C@@H]2CC[C@H](CN(C)CC[NH+](C)C)O2)ncn1 ZINC000952854503 775582799 /nfs/dbraw/zinc/58/27/99/775582799.db2.gz SJLUZSLVJYNFEJ-LSDHHAIUSA-N 1 0 308.426 1.069 50 0 DDAARO CCCOc1cc(C)ccc1NC(=O)[C@@H]([NH3+])CC1OCCO1 ZINC000952882813 775640571 /nfs/dbraw/zinc/64/05/71/775640571.db2.gz KCGBGCPQPKGJSX-LBPRGKRZSA-N 1 0 308.378 1.813 50 0 DDAARO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2nc(C)cs2)CC1 ZINC000074679079 185008358 /nfs/dbraw/zinc/00/83/58/185008358.db2.gz GMEHWLGPROHPOQ-UHFFFAOYSA-N 1 0 324.494 1.830 50 0 DDAARO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000305623001 231011816 /nfs/dbraw/zinc/01/18/16/231011816.db2.gz AIKLIYGRJMJAFH-IXDOHACOSA-N 1 0 318.417 1.165 50 0 DDAARO CCOc1ccccc1NC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082167364 185174453 /nfs/dbraw/zinc/17/44/53/185174453.db2.gz ATYAZIMYPHQAIO-UHFFFAOYSA-N 1 0 315.377 1.707 50 0 DDAARO Cn1nccc1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000216035675 539264384 /nfs/dbraw/zinc/26/43/84/539264384.db2.gz JNUULAXXKVZAJV-INIZCTEOSA-N 1 0 312.417 1.743 50 0 DDAARO Cc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N2CCC(O)CC2)nc1 ZINC000095416663 185358930 /nfs/dbraw/zinc/35/89/30/185358930.db2.gz XQZAWIBSDCEMJF-KRWDZBQOSA-N 1 0 319.449 1.878 50 0 DDAARO C[C@H]1C[NH+](CC2CCN(Cc3cn(C)nn3)CC2)C[C@H](C)O1 ZINC000095445417 185367443 /nfs/dbraw/zinc/36/74/43/185367443.db2.gz RNHWHVJEMWHHKJ-KBPBESRZSA-N 1 0 307.442 1.136 50 0 DDAARO C[C@H]1C[C@H](NC(=O)c2cc(-c3ccccc3O)n[nH]2)CC[NH2+]1 ZINC000685942254 539566387 /nfs/dbraw/zinc/56/63/87/539566387.db2.gz IKCXFSYVQIHPMF-WDEREUQCSA-N 1 0 300.362 1.653 50 0 DDAARO CC(C)(C)NC(=O)CNC(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000071419170 190969506 /nfs/dbraw/zinc/96/95/06/190969506.db2.gz ZMXRKHPLZJCFEU-SNVBAGLBSA-N 1 0 309.435 1.817 50 0 DDAARO CC(C)Nc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071747698 191020559 /nfs/dbraw/zinc/02/05/59/191020559.db2.gz REWXKTXUXPVPLU-UHFFFAOYSA-N 1 0 311.389 1.709 50 0 DDAARO C[NH+](C)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000071846637 191031016 /nfs/dbraw/zinc/03/10/16/191031016.db2.gz YFWZDYRDMPWVSR-UHFFFAOYSA-N 1 0 312.417 1.967 50 0 DDAARO O=C(NC[C@@H]1CC[NH2+]C[C@H]1O)c1nc(-c2ccccc2)cs1 ZINC000072140077 191047831 /nfs/dbraw/zinc/04/78/31/191047831.db2.gz PDPZLXNVWYEZMP-GXTWGEPZSA-N 1 0 317.414 1.510 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000072129431 191042858 /nfs/dbraw/zinc/04/28/58/191042858.db2.gz VEGPTNZQXDYOLD-MRXNPFEDSA-N 1 0 316.401 1.486 50 0 DDAARO OC[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)C1 ZINC000072134332 191046466 /nfs/dbraw/zinc/04/64/66/191046466.db2.gz KUWGTHGHBZHUGI-LBPRGKRZSA-N 1 0 311.389 1.351 50 0 DDAARO COc1cccc2c1OCC(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)=C2 ZINC000072143297 191049864 /nfs/dbraw/zinc/04/98/64/191049864.db2.gz MLWCJDUZKWYQFA-HUUCEWRRSA-N 1 0 305.374 1.146 50 0 DDAARO Cc1ccc(O)c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c1 ZINC000072152302 191057884 /nfs/dbraw/zinc/05/78/84/191057884.db2.gz YSTQRVFOBBYYEF-UHFFFAOYSA-N 1 0 311.385 1.980 50 0 DDAARO CN1C(=O)CC[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000072238134 191082129 /nfs/dbraw/zinc/08/21/29/191082129.db2.gz WAJIQVDVANCEDP-IUODEOHRSA-N 1 0 323.462 1.726 50 0 DDAARO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000237460656 186292902 /nfs/dbraw/zinc/29/29/02/186292902.db2.gz LVLVURZFMYNMLH-CVEARBPZSA-N 1 0 303.406 1.471 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000237503356 186298167 /nfs/dbraw/zinc/29/81/67/186298167.db2.gz UDBPWSXRQFUBFH-GXTWGEPZSA-N 1 0 316.405 1.416 50 0 DDAARO c1cn(CCCOc2cccnc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072411351 191154177 /nfs/dbraw/zinc/15/41/77/191154177.db2.gz FBGDGEUPZIGRSB-UHFFFAOYSA-N 1 0 324.388 1.714 50 0 DDAARO c1ccc(OCCN2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072433503 191164076 /nfs/dbraw/zinc/16/40/76/191164076.db2.gz IEONDODAQSJVHL-QGZVFWFLSA-N 1 0 303.450 1.683 50 0 DDAARO CCC[N@@H+]1CCOC[C@@H]1CC(=O)Nc1cccn2cnnc12 ZINC000072433762 191164402 /nfs/dbraw/zinc/16/44/02/191164402.db2.gz GUPVWHUGWIHCHI-LBPRGKRZSA-N 1 0 303.366 1.169 50 0 DDAARO c1cn(CC2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)cn1 ZINC000072438880 191167531 /nfs/dbraw/zinc/16/75/31/191167531.db2.gz IGHUDTVLQLAFGJ-UHFFFAOYSA-N 1 0 312.421 1.278 50 0 DDAARO COC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)C)c12 ZINC000001318541 180854819 /nfs/dbraw/zinc/85/48/19/180854819.db2.gz XYYNADJYWANKQJ-ZDUSSCGKSA-N 1 0 320.389 1.621 50 0 biogenic DDAARO COCCn1cc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cn1 ZINC000076057593 353394676 /nfs/dbraw/zinc/39/46/76/353394676.db2.gz YMWQCCPSBSCXQL-ZBFHGGJFSA-N 1 0 322.453 1.512 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3ccncc3)C[C@H]2C)CC1 ZINC000084714487 353726634 /nfs/dbraw/zinc/72/66/34/353726634.db2.gz ZMLPSWOHNQXHOI-QAPCUYQASA-N 1 0 316.449 1.456 50 0 DDAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000084736262 353727678 /nfs/dbraw/zinc/72/76/78/353727678.db2.gz UPNOWVSLADGXLL-OLZOCXBDSA-N 1 0 314.455 1.338 50 0 DDAARO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000097371318 353918580 /nfs/dbraw/zinc/91/85/80/353918580.db2.gz YDPZPRYUPWDPJF-DOMZBBRYSA-N 1 0 314.426 1.770 50 0 DDAARO Cc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000106918320 353943127 /nfs/dbraw/zinc/94/31/27/353943127.db2.gz FAKAEDKRXZKPBC-UONOGXRCSA-N 1 0 313.423 1.022 50 0 DDAARO CCN1CCO[C@@H](C(=O)N[C@H](C)Cc2cccc(OC)c2)C1 ZINC000110651624 353961776 /nfs/dbraw/zinc/96/17/76/353961776.db2.gz PCNIMVIWXURQST-CZUORRHYSA-N 1 0 306.406 1.463 50 0 DDAARO C[C@H]([NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000110700957 353962759 /nfs/dbraw/zinc/96/27/59/353962759.db2.gz XKPIWQSESBZMKA-XIRDDKMYSA-N 1 0 305.422 1.470 50 0 DDAARO O=C(CCc1cncc(F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000120743641 354014169 /nfs/dbraw/zinc/01/41/69/354014169.db2.gz CBTFVSVQXUCLDS-UHFFFAOYSA-N 1 0 321.396 1.477 50 0 DDAARO CC/C=C(\C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000179035199 354261697 /nfs/dbraw/zinc/26/16/97/354261697.db2.gz HOULMQJHFUXBIJ-UOTLJSKWSA-N 1 0 307.438 1.450 50 0 DDAARO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH3+] ZINC000195554685 354296915 /nfs/dbraw/zinc/29/69/15/354296915.db2.gz HAVIEWDUZPQNNP-LXZKKBNFSA-N 1 0 318.465 1.796 50 0 DDAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C1CCOCC1 ZINC000195578896 354298781 /nfs/dbraw/zinc/29/87/81/354298781.db2.gz DPFJUUUINJDYAF-OLZOCXBDSA-N 1 0 304.456 1.205 50 0 DDAARO COC(=O)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000225488584 354317944 /nfs/dbraw/zinc/31/79/44/354317944.db2.gz SGWUHMRUTHRZAR-BBRMVZONSA-N 1 0 316.401 1.568 50 0 DDAARO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cnn3ccccc23)C1 ZINC000624043949 366164265 /nfs/dbraw/zinc/16/42/65/366164265.db2.gz CYQYJZZJFKCOJG-CQSZACIVSA-N 1 0 315.421 1.865 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000004497848 181115996 /nfs/dbraw/zinc/11/59/96/181115996.db2.gz XVBCNGROWIXNJF-DZGCQCFKSA-N 1 0 303.406 1.464 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3ccncc3)C[C@H]2C)CC1 ZINC000299754232 354457051 /nfs/dbraw/zinc/45/70/51/354457051.db2.gz ZMLPSWOHNQXHOI-CRAIPNDOSA-N 1 0 316.449 1.456 50 0 DDAARO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2noc(CC(C)C)n2)C1 ZINC000584888801 354791711 /nfs/dbraw/zinc/79/17/11/354791711.db2.gz BEYQFVYMIYWYBV-CYBMUJFWSA-N 1 0 323.441 1.894 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc(CN(C)C)o2)C1 ZINC000584885223 354788995 /nfs/dbraw/zinc/78/89/95/354788995.db2.gz NDKCJXOHMFVQGY-AWEZNQCLSA-N 1 0 323.437 1.382 50 0 DDAARO Cc1ncc(CN2CCCO[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000584885939 354789419 /nfs/dbraw/zinc/78/94/19/354789419.db2.gz DMOQPQMWCZBGAD-KRWDZBQOSA-N 1 0 304.438 1.862 50 0 DDAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(CCCCO)CC2)C1 ZINC000584902692 354801863 /nfs/dbraw/zinc/80/18/63/354801863.db2.gz UUJINUCJBATIMJ-MRXNPFEDSA-N 1 0 311.470 1.025 50 0 DDAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)ccc1S(C)(=O)=O ZINC000585134677 354811022 /nfs/dbraw/zinc/81/10/22/354811022.db2.gz GBIFKBDPJRALQC-RAIGVLPGSA-N 1 0 313.419 1.663 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1CNc1ccccc1S(=O)(=O)NC ZINC000585142259 354815382 /nfs/dbraw/zinc/81/53/82/354815382.db2.gz RWUHNDLOMCRFAN-ZDUSSCGKSA-N 1 0 311.451 1.881 50 0 DDAARO CC[NH+](CC)CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000005069337 181200793 /nfs/dbraw/zinc/20/07/93/181200793.db2.gz BWFPWKUROPWKJX-HNNXBMFYSA-N 1 0 319.405 1.624 50 0 DDAARO COc1ccc(Cl)cc1CN1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237088877 202150437 /nfs/dbraw/zinc/15/04/37/202150437.db2.gz VKDHXNLSMJFVIR-UHFFFAOYSA-N 1 0 323.824 1.484 50 0 DDAARO COc1ccc(CCC(=O)N(C)[C@@H](C)C[NH3+])c(OC)c1OC ZINC000237218982 202193139 /nfs/dbraw/zinc/19/31/39/202193139.db2.gz PIDHAZIZEVHMKE-NSHDSACASA-N 1 0 310.394 1.451 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000178490717 198876697 /nfs/dbraw/zinc/87/66/97/198876697.db2.gz SWGHFRHSOLIAMW-LBPRGKRZSA-N 1 0 303.366 1.337 50 0 DDAARO C[C@H](c1cccnc1)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237434580 202264997 /nfs/dbraw/zinc/26/49/97/202264997.db2.gz LQEDFMKZMZESHW-IJEWVQPXSA-N 1 0 302.422 1.414 50 0 DDAARO Cc1cccc(Cn2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2=O)c1 ZINC000237709122 202334617 /nfs/dbraw/zinc/33/46/17/202334617.db2.gz HMESUSQDAFDMCI-HNNXBMFYSA-N 1 0 311.385 1.378 50 0 DDAARO Cc1nc(CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)oc1C ZINC000237727079 202339604 /nfs/dbraw/zinc/33/96/04/202339604.db2.gz WWSOUNWSYZZCRG-UHFFFAOYSA-N 1 0 320.437 1.597 50 0 DDAARO O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC[NH2+]CC1 ZINC000237838887 202367302 /nfs/dbraw/zinc/36/73/02/202367302.db2.gz RKQYIZVHRVMYKW-NSHDSACASA-N 1 0 323.343 1.140 50 0 DDAARO [NH3+]C[C@H](C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccccc1 ZINC000237806753 202360250 /nfs/dbraw/zinc/36/02/50/202360250.db2.gz NOWYEZUBJRUICM-JYJNAYRXSA-N 1 0 304.390 1.135 50 0 DDAARO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)CC(F)(F)F)CCN1 ZINC000189024004 200337727 /nfs/dbraw/zinc/33/77/27/200337727.db2.gz YELGQWMDUOYWQR-CHWSQXEVSA-N 1 0 316.323 1.863 50 0 DDAARO COc1cccc(NC(=O)C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000006587226 181357607 /nfs/dbraw/zinc/35/76/07/181357607.db2.gz KHFLNGBODYTAEP-INIZCTEOSA-N 1 0 300.358 1.957 50 0 DDAARO O=C(Cc1ccc(F)c(F)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483104 364445233 /nfs/dbraw/zinc/44/52/33/364445233.db2.gz YKHPEVWSMLAABO-AWEZNQCLSA-N 1 0 324.371 1.565 50 0 DDAARO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1 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COC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000036390445 406979228 /nfs/dbraw/zinc/97/92/28/406979228.db2.gz NDUTVOKVANJISY-WDEREUQCSA-N 1 0 308.403 1.891 50 0 DDAARO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030267557 406930203 /nfs/dbraw/zinc/93/02/03/406930203.db2.gz JTNLPELADVYDPU-NSHDSACASA-N 1 0 311.357 1.371 50 0 DDAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076067590 406953927 /nfs/dbraw/zinc/95/39/27/406953927.db2.gz VXVABHFRRQBWKJ-HZSPNIEDSA-N 1 0 300.468 1.888 50 0 DDAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)N(C)C1CCCCC1 ZINC000045741970 407047444 /nfs/dbraw/zinc/04/74/44/407047444.db2.gz CBMXXFBZIFMQHH-ZDUSSCGKSA-N 1 0 305.488 1.816 50 0 DDAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000077298635 406982985 /nfs/dbraw/zinc/98/29/85/406982985.db2.gz PPWXMWQXTLFYLF-SFHVURJKSA-N 1 0 314.433 1.986 50 0 DDAARO Cc1cc(C)n2ncc(C(=O)NC3CC[NH+](C4CC4)CC3)c2n1 ZINC000036742202 406983158 /nfs/dbraw/zinc/98/31/58/406983158.db2.gz ALXOJUOBJBJDHP-UHFFFAOYSA-N 1 0 313.405 1.703 50 0 DDAARO Cc1cc(N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc[nH+]1 ZINC000077391192 406988787 /nfs/dbraw/zinc/98/87/87/406988787.db2.gz UVJHZEJSIQLPEV-UHFFFAOYSA-N 1 0 312.373 1.431 50 0 DDAARO CCn1c(CN(C)C)nnc1C1CCN(CC(C)(C)[NH3+])CC1 ZINC000077386999 406989198 /nfs/dbraw/zinc/98/91/98/406989198.db2.gz ZRTHTFINFWVFCB-UHFFFAOYSA-N 1 0 308.474 1.276 50 0 DDAARO Cc1cncc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077524823 406994575 /nfs/dbraw/zinc/99/45/75/406994575.db2.gz RXOONPHLFZDXRZ-KRWDZBQOSA-N 1 0 303.406 1.453 50 0 DDAARO COCc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000048285009 407093452 /nfs/dbraw/zinc/09/34/52/407093452.db2.gz AXGDDJKSOPEPJI-UHFFFAOYSA-N 1 0 306.406 1.675 50 0 DDAARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000089107886 407122682 /nfs/dbraw/zinc/12/26/82/407122682.db2.gz UCPHHJJRNBWXBF-CABZTGNLSA-N 1 0 304.362 1.761 50 0 DDAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000050246627 407129942 /nfs/dbraw/zinc/12/99/42/407129942.db2.gz LBSYTVUKAQLTDD-VIFPVBQESA-N 1 0 319.224 1.418 50 0 DDAARO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000089857581 407153889 /nfs/dbraw/zinc/15/38/89/407153889.db2.gz PIPIJICPTKXTFY-HNNXBMFYSA-N 1 0 305.403 1.539 50 0 DDAARO COc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000089937694 407159773 /nfs/dbraw/zinc/15/97/73/407159773.db2.gz JHDALDRUUNKDSF-URWSZGRFSA-N 1 0 304.390 1.880 50 0 DDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000053202867 407165267 /nfs/dbraw/zinc/16/52/67/407165267.db2.gz VCKWXZBHFPKEJF-ZDUSSCGKSA-N 1 0 305.403 1.607 50 0 DDAARO CSCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000053996800 407177334 /nfs/dbraw/zinc/17/73/34/407177334.db2.gz RBLZHJNJOWRFRO-UHFFFAOYSA-N 1 0 321.446 1.685 50 0 DDAARO O=C(NCCc1cnccn1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095360686 407209252 /nfs/dbraw/zinc/20/92/52/407209252.db2.gz REWJHLCDOLYWLQ-MRXNPFEDSA-N 1 0 310.401 1.916 50 0 DDAARO Cc1cccc(=O)n1CCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000095367040 407210263 /nfs/dbraw/zinc/21/02/63/407210263.db2.gz UKDBMMWUPBOXCB-CQSZACIVSA-N 1 0 301.394 1.306 50 0 DDAARO CCc1c(C)[nH+]c(N)nc1NCc1nnnn1-c1ccccc1 ZINC000095374490 407210547 /nfs/dbraw/zinc/21/05/47/407210547.db2.gz WGVNFPIXZHGJEX-UHFFFAOYSA-N 1 0 310.365 1.517 50 0 DDAARO CCOCC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095375579 407210989 /nfs/dbraw/zinc/21/09/89/407210989.db2.gz ACUJWYCRMFHMMU-CQSZACIVSA-N 1 0 308.426 1.187 50 0 DDAARO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)nnn1-c1ccc(C)cc1 ZINC000095956032 407216842 /nfs/dbraw/zinc/21/68/42/407216842.db2.gz TZFXAEIMVLFHFR-UHFFFAOYSA-N 1 0 313.405 1.708 50 0 DDAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000095996362 407221813 /nfs/dbraw/zinc/22/18/13/407221813.db2.gz AZFIRPRPVFGTHK-PSASIEDQSA-N 1 0 306.332 1.771 50 0 DDAARO O=C([C@@H]1CCC[N@H+](CCCc2ccncc2)C1)N1CCOCC1 ZINC000096012916 407223703 /nfs/dbraw/zinc/22/37/03/407223703.db2.gz KLFSLJSHFURNBN-QGZVFWFLSA-N 1 0 317.433 1.585 50 0 DDAARO O=C([C@H]1CCC[N@H+](CCCc2ccncc2)C1)N1CCOCC1 ZINC000096012915 407223796 /nfs/dbraw/zinc/22/37/96/407223796.db2.gz KLFSLJSHFURNBN-KRWDZBQOSA-N 1 0 317.433 1.585 50 0 DDAARO CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000096424591 407264078 /nfs/dbraw/zinc/26/40/78/407264078.db2.gz TXMJSOBTPZLLMX-KRWDZBQOSA-N 1 0 317.433 1.799 50 0 DDAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000096441634 407266562 /nfs/dbraw/zinc/26/65/62/407266562.db2.gz HXLZXHICWONKKR-NWDGAFQWSA-N 1 0 308.344 1.946 50 0 DDAARO CC(C)(CNC(=O)N1CCN(C2CC2)C(=O)C1)[NH+]1CCCCC1 ZINC000096450916 407268068 /nfs/dbraw/zinc/26/80/68/407268068.db2.gz ODLBHXJOXWMPRL-UHFFFAOYSA-N 1 0 322.453 1.267 50 0 DDAARO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NS(C)(=O)=O ZINC000097034688 407276269 /nfs/dbraw/zinc/27/62/69/407276269.db2.gz VUMOUPRIIWWLRO-XQQFMLRXSA-N 1 0 316.467 1.252 50 0 DDAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067676455 407279558 /nfs/dbraw/zinc/27/95/58/407279558.db2.gz VFXXVHXXMXPEPU-LBPRGKRZSA-N 1 0 319.434 1.410 50 0 DDAARO CC(C)(C)C[N@@H+]1CCO[C@@H](CCNC(=O)c2ccncc2)C1 ZINC000067688939 407280821 /nfs/dbraw/zinc/28/08/21/407280821.db2.gz XEFZPPZIDRNBDS-HNNXBMFYSA-N 1 0 305.422 1.948 50 0 DDAARO CCNc1ncc(-c2nc(CC3CC[NH+](C)CC3)no2)cn1 ZINC000067843543 407287486 /nfs/dbraw/zinc/28/74/86/407287486.db2.gz QDUNWYOIGFRKJU-UHFFFAOYSA-N 1 0 302.382 1.843 50 0 DDAARO O=C(c1coc(CN2CCOCC2)c1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000097288776 407290711 /nfs/dbraw/zinc/29/07/11/407290711.db2.gz PCIXPPPFWDCVHF-CABCVRRESA-N 1 0 319.405 1.078 50 0 DDAARO O=C1CNC(=O)N1CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000097377098 407293204 /nfs/dbraw/zinc/29/32/04/407293204.db2.gz NWOFOOLPDPMNJY-KGLIPLIRSA-N 1 0 305.353 1.603 50 0 DDAARO CC(C)c1ncc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)cn1 ZINC000097654075 407300884 /nfs/dbraw/zinc/30/08/84/407300884.db2.gz DRVVXGAAUQSXJX-AWEZNQCLSA-N 1 0 306.410 1.177 50 0 DDAARO O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1C[NH2+]CCO1 ZINC000097711610 407301876 /nfs/dbraw/zinc/30/18/76/407301876.db2.gz KNFQIOXPYCIDPV-GFCCVEGCSA-N 1 0 302.296 1.353 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000122716375 407308912 /nfs/dbraw/zinc/30/89/12/407308912.db2.gz ONDJCSVAMKNJRL-SECBINFHSA-N 1 0 308.325 1.736 50 0 DDAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccco2)cn1 ZINC000106837535 407362006 /nfs/dbraw/zinc/36/20/06/407362006.db2.gz UVUPEFKEKHMBOQ-GDBMZVCRSA-N 1 0 305.378 1.728 50 0 DDAARO CC[C@H]1CN(c2nn3cc(C)nc3s2)CC[N@@H+]1C[C@H](C)O ZINC000106906098 407365438 /nfs/dbraw/zinc/36/54/38/407365438.db2.gz VDVFLFXFHYICHN-RYUDHWBXSA-N 1 0 309.439 1.381 50 0 DDAARO CC[C@@H](C)CS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000108084092 407381865 /nfs/dbraw/zinc/38/18/65/407381865.db2.gz LXWQEPTYLPBENX-KGLIPLIRSA-N 1 0 320.499 1.387 50 0 DDAARO CCCC[C@@H]1C(=O)N(C)CCN1Cc1cccc(OCCO)c1 ZINC000214959498 407479870 /nfs/dbraw/zinc/47/98/70/407479870.db2.gz ZNKKDBQJXLEONP-QGZVFWFLSA-N 1 0 320.433 1.891 50 0 DDAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000215656900 407487347 /nfs/dbraw/zinc/48/73/47/407487347.db2.gz OUGHFPASNGGYDO-LBPRGKRZSA-N 1 0 320.286 1.839 50 0 DDAARO O=C(C[N@@H+]1C[C@@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2)NC1CCCC1 ZINC000257194070 407488233 /nfs/dbraw/zinc/48/82/33/407488233.db2.gz SLUSSFJAFZEDFK-SQWLQELKSA-N 1 0 319.449 1.378 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000178566860 407493414 /nfs/dbraw/zinc/49/34/14/407493414.db2.gz VDPNHANVYKIYAF-SNVBAGLBSA-N 1 0 302.296 1.891 50 0 DDAARO CC[C@@H](CNC(=O)c1cnc2sc(C)cn2c1=O)[NH+](C)C ZINC000170591520 407446661 /nfs/dbraw/zinc/44/66/61/407446661.db2.gz YVKRKEKSOMMXIG-JTQLQIEISA-N 1 0 308.407 1.134 50 0 DDAARO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCCc1ccccc1OC ZINC000170603284 407448002 /nfs/dbraw/zinc/44/80/02/407448002.db2.gz AHOSYUGSSBKAOH-SFHVURJKSA-N 1 0 320.433 1.591 50 0 DDAARO O=C(N[C@H]1CCn2nccc2C1)c1ccc(Cn2ccnc2)cc1 ZINC000253473537 407451408 /nfs/dbraw/zinc/45/14/08/407451408.db2.gz VUQXLXLBPBVOEM-INIZCTEOSA-N 1 0 321.384 1.873 50 0 DDAARO Cc1cc(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)on1 ZINC000223776312 407571676 /nfs/dbraw/zinc/57/16/76/407571676.db2.gz UZGYSQXYLFGVAE-UHFFFAOYSA-N 1 0 314.389 1.701 50 0 DDAARO C[NH+](C)[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113628171 407521832 /nfs/dbraw/zinc/52/18/32/407521832.db2.gz PWTIFSHOWAKMQG-CQSZACIVSA-N 1 0 304.394 1.361 50 0 DDAARO C[NH+](C)[C@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1O ZINC000218840550 407524557 /nfs/dbraw/zinc/52/45/57/407524557.db2.gz DJGLHTPDOCUSEP-HOCLYGCPSA-N 1 0 300.358 1.292 50 0 DDAARO O=C([C@H]1CCC[NH2+]1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000261751123 407599956 /nfs/dbraw/zinc/59/99/56/407599956.db2.gz QCLCUMBGGZIBMW-CVEARBPZSA-N 1 0 306.381 1.850 50 0 DDAARO C[C@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC[NH2+]1 ZINC000237765900 407841924 /nfs/dbraw/zinc/84/19/24/407841924.db2.gz QKYYHNMPXYJTDA-XJKSGUPXSA-N 1 0 321.396 1.019 50 0 DDAARO COc1cccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)n1 ZINC000239475364 407904518 /nfs/dbraw/zinc/90/45/18/407904518.db2.gz ANRLWPBXNOKXGA-OAHLLOKOSA-N 1 0 302.378 1.759 50 0 DDAARO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCOc2ccc(F)cc2)C1 ZINC000241368058 407910638 /nfs/dbraw/zinc/91/06/38/407910638.db2.gz MJSXKYGDXRXMAG-MRXNPFEDSA-N 1 0 324.396 1.772 50 0 DDAARO COc1c[nH]c(CN2CCCN(c3ncccn3)CC2)cc1=O ZINC000244898934 407945790 /nfs/dbraw/zinc/94/57/90/407945790.db2.gz ZECWSPOINOLYJB-UHFFFAOYSA-N 1 0 315.377 1.298 50 0 DDAARO CCO[C@H](C)c1nc(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cs1 ZINC000154121642 407978818 /nfs/dbraw/zinc/97/88/18/407978818.db2.gz NWDZBJOSQLFDMI-GRYCIOLGSA-N 1 0 311.451 1.992 50 0 DDAARO O[C@H](COCc1ccco1)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247804447 408510370 /nfs/dbraw/zinc/51/03/70/408510370.db2.gz YCJOXBGBXGGFBN-GJZGRUSLSA-N 1 0 320.393 1.303 50 0 DDAARO CCCn1nc(C[NH2+]CCOCCO)c(-c2ccccc2)n1 ZINC000247990677 408524394 /nfs/dbraw/zinc/52/43/94/408524394.db2.gz 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CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000063852338 184289830 /nfs/dbraw/zinc/28/98/30/184289830.db2.gz NFJXFZQRLCEPNH-CYBMUJFWSA-N 1 0 324.446 1.552 50 0 DDAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000063994776 184291299 /nfs/dbraw/zinc/29/12/99/184291299.db2.gz MLWMMTBLZCGWHP-CQSZACIVSA-N 1 0 314.389 1.653 50 0 DDAARO Cn1c(C(=O)NCCC[NH+]2CCCC2)cc2c1ccn(C)c2=O ZINC000065118860 184311230 /nfs/dbraw/zinc/31/12/30/184311230.db2.gz NRVQDCZOEISGAJ-UHFFFAOYSA-N 1 0 316.405 1.093 50 0 DDAARO Cn1nnnc1SCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000065374376 184331498 /nfs/dbraw/zinc/33/14/98/184331498.db2.gz GBTPAJSBWKZXPL-AWEZNQCLSA-N 1 0 318.450 1.166 50 0 DDAARO C[C@H](C(=O)NC1CCCC1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000065408455 184339158 /nfs/dbraw/zinc/33/91/58/184339158.db2.gz CZYOZFBXQYQSJN-OAHLLOKOSA-N 1 0 323.481 1.356 50 0 DDAARO C[C@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)[NH+](C)C ZINC000065440849 184345790 /nfs/dbraw/zinc/34/57/90/184345790.db2.gz CVTKXNLFLRHZNF-CYBMUJFWSA-N 1 0 316.409 1.076 50 0 DDAARO O=C(C[NH+]1CCCCCC1)NCc1nc2ccccc2c(=O)[nH]1 ZINC000065493951 184354345 /nfs/dbraw/zinc/35/43/45/184354345.db2.gz MPAPNZNDDDETAD-UHFFFAOYSA-N 1 0 314.389 1.415 50 0 DDAARO CCc1ccc(C(=O)NCC2=CC[N@H+](C[C@@H](C)O)CC2)cc1 ZINC000065403640 184337195 /nfs/dbraw/zinc/33/71/95/184337195.db2.gz RFZSWZSUMPPGQM-CQSZACIVSA-N 1 0 302.418 1.992 50 0 DDAARO COc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)cc(Cl)c1OC ZINC000065611268 184373371 /nfs/dbraw/zinc/37/33/71/184373371.db2.gz LHNIFTCBNOHJLU-GFCCVEGCSA-N 1 0 314.813 1.777 50 0 DDAARO COc1cc2c(c(C[NH2+]C[C@@H]3CN(C)CCO3)c1)O[C@@H](C)C2 ZINC000065615071 184374459 /nfs/dbraw/zinc/37/44/59/184374459.db2.gz NZOVAIAKNRYKNW-BLLLJJGKSA-N 1 0 306.406 1.439 50 0 DDAARO Cc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000237535705 257238424 /nfs/dbraw/zinc/23/84/24/257238424.db2.gz WKPSOPFOYQQFAY-UWVGGRQHSA-N 1 0 304.362 1.774 50 0 DDAARO COc1cc(CCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000237316354 257239429 /nfs/dbraw/zinc/23/94/29/257239429.db2.gz RLYWTOVECKCZRT-JSGCOSHPSA-N 1 0 306.406 1.975 50 0 DDAARO C[C@@H](C(=O)NCCc1nc(Cc2ccccc2)no1)[NH+](C)C ZINC000426549237 533267903 /nfs/dbraw/zinc/26/79/03/533267903.db2.gz ZLQDVAFRGQOXAK-LBPRGKRZSA-N 1 0 302.378 1.269 50 0 DDAARO c1cn([C@H]2CCCc3nccnc32)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072427880 296631533 /nfs/dbraw/zinc/63/15/33/296631533.db2.gz RUVXVIZVRBOGAD-HNNXBMFYSA-N 1 0 321.388 1.566 50 0 DDAARO CCOc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000422482 406648111 /nfs/dbraw/zinc/64/81/11/406648111.db2.gz VQJZUFBFAIQJKD-UHFFFAOYSA-N 1 0 319.390 1.771 50 0 DDAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(C(N)=O)CC3)c2c1 ZINC000000541327 406656361 /nfs/dbraw/zinc/65/63/61/406656361.db2.gz FJZUZOCUFLPYJD-INIZCTEOSA-N 1 0 317.389 1.407 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OC ZINC000002852364 406704319 /nfs/dbraw/zinc/70/43/19/406704319.db2.gz ZGGPARUMGCQZFG-GFCCVEGCSA-N 1 0 305.378 1.234 50 0 DDAARO COC[C@H](C)n1c(NCC[NH+](C)C)nc2ccccc2c1=O ZINC000069191522 406688833 /nfs/dbraw/zinc/68/88/33/406688833.db2.gz VTHVZMRFBJSCIG-LBPRGKRZSA-N 1 0 304.394 1.577 50 0 DDAARO O=C1C[C@@H](SC2=[NH+]CCN2)C(=O)N1c1ccc(Cl)cc1 ZINC000002727438 406696021 /nfs/dbraw/zinc/69/60/21/406696021.db2.gz IXFMKILIMRPKNU-SNVBAGLBSA-N 1 0 309.778 1.664 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000069372424 406701884 /nfs/dbraw/zinc/70/18/84/406701884.db2.gz VWVQGXOJNIILAT-KBPBESRZSA-N 1 0 316.405 1.747 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000069373797 406702614 /nfs/dbraw/zinc/70/26/14/406702614.db2.gz YDCYHDWCWZUSBE-STQMWFEESA-N 1 0 319.361 1.030 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000069627637 406745259 /nfs/dbraw/zinc/74/52/59/406745259.db2.gz BVGWDZBFVOJRJF-SJORKVTESA-N 1 0 324.440 1.884 50 0 DDAARO C[C@@H](OC[C@H](O)C[NH2+]CCOCCO)c1ccc(Cl)cc1 ZINC000006936425 406745282 /nfs/dbraw/zinc/74/52/82/406745282.db2.gz JSVCAZLHEZKVLX-IUODEOHRSA-N 1 0 317.813 1.377 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000069393312 406705998 /nfs/dbraw/zinc/70/59/98/406705998.db2.gz BUXIAAGPZUENBI-HNNXBMFYSA-N 1 0 300.406 1.828 50 0 DDAARO C[C@H]1C[N@H+](CC2CCCC2)CCN1c1ccc2nncn2n1 ZINC000069458748 406717623 /nfs/dbraw/zinc/71/76/23/406717623.db2.gz SLYOOWVBJOKKLO-ZDUSSCGKSA-N 1 0 300.410 1.825 50 0 DDAARO Cc1cc(C)n(CCC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000069536487 406730973 /nfs/dbraw/zinc/73/09/73/406730973.db2.gz UEGHRMYWXUHJKI-HOTGVXAUSA-N 1 0 304.438 1.975 50 0 DDAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CC2 ZINC000069810454 406774355 /nfs/dbraw/zinc/77/43/55/406774355.db2.gz ZCMBOJLNMCWSLE-CQSZACIVSA-N 1 0 323.404 1.526 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C ZINC000069817622 406776445 /nfs/dbraw/zinc/77/64/45/406776445.db2.gz MVJOONFBDMRCQU-ZDUSSCGKSA-N 1 0 307.442 1.235 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 ZINC000069923088 406791534 /nfs/dbraw/zinc/79/15/34/406791534.db2.gz OLBRFOGJQOVFDI-RYUDHWBXSA-N 1 0 321.446 1.936 50 0 DDAARO CCOC(=O)c1c(C)[nH]c(C(=O)NCC[NH+]2CCCC2)c1C ZINC000008985026 406799562 /nfs/dbraw/zinc/79/95/62/406799562.db2.gz IOCOFLUMEQYWSZ-UHFFFAOYSA-N 1 0 307.394 1.634 50 0 DDAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000010312711 406820719 /nfs/dbraw/zinc/82/07/19/406820719.db2.gz FHIFXGYYNLIPFX-UHFFFAOYSA-N 1 0 301.346 1.823 50 0 DDAARO CN1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000011841477 406831932 /nfs/dbraw/zinc/83/19/32/406831932.db2.gz ZNIDTIKHCOVFEP-QGZVFWFLSA-N 1 0 319.424 1.653 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000071144968 406833515 /nfs/dbraw/zinc/83/35/15/406833515.db2.gz MBOKAVRBXHCEHD-VIFPVBQESA-N 1 0 306.790 1.709 50 0 DDAARO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1 ZINC000071821813 406847874 /nfs/dbraw/zinc/84/78/74/406847874.db2.gz QFGIUWYUQFDXDQ-CYBMUJFWSA-N 1 0 301.390 1.967 50 0 DDAARO CC1CC[NH+](C[C@H](O)Cn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000071832858 406849782 /nfs/dbraw/zinc/84/97/82/406849782.db2.gz BCFHAQHTNPURHV-HNNXBMFYSA-N 1 0 319.384 1.572 50 0 DDAARO C[C@H](CNC(=O)c1cc(Cl)ccc1F)N1CC[NH+](C)CC1 ZINC000071867482 406856040 /nfs/dbraw/zinc/85/60/40/406856040.db2.gz KEKZUDHOFOFOBJ-LLVKDONJSA-N 1 0 313.804 1.845 50 0 DDAARO C[NH+](C)C[C@@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)CCO1 ZINC000071878842 406860324 /nfs/dbraw/zinc/86/03/24/406860324.db2.gz USUKGYARDYVJDO-QGZVFWFLSA-N 1 0 321.465 1.698 50 0 DDAARO CCN1c2ccccc2[C@@](C[NH+]2CCCCC2)(NC(C)=O)C1=O ZINC000013687795 406865462 /nfs/dbraw/zinc/86/54/62/406865462.db2.gz WPMGLXFUIJFLIH-GOSISDBHSA-N 1 0 315.417 1.870 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccnc(Cl)c1 ZINC000013727565 406867811 /nfs/dbraw/zinc/86/78/11/406867811.db2.gz CPKSPVQBZFATBQ-UHFFFAOYSA-N 1 0 310.785 1.276 50 0 DDAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C)CC2 ZINC000014744432 406876217 /nfs/dbraw/zinc/87/62/17/406876217.db2.gz WTMPENYYLWNZAX-UHFFFAOYSA-N 1 0 302.378 1.330 50 0 DDAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]CC1CC1 ZINC000015076115 406878540 /nfs/dbraw/zinc/87/85/40/406878540.db2.gz LCFKPXGYBMHBFR-KRWDZBQOSA-N 1 0 324.371 1.818 50 0 DDAARO CSc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000020540303 406888151 /nfs/dbraw/zinc/88/81/51/406888151.db2.gz TYGJKLJEWYSUFF-HOTGVXAUSA-N 1 0 308.447 1.286 50 0 DDAARO CC(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+](C)C ZINC000025451418 406897935 /nfs/dbraw/zinc/89/79/35/406897935.db2.gz FXWJVZMYOKRQMI-OAHLLOKOSA-N 1 0 316.405 1.168 50 0 DDAARO C[N@@H+]1CCN(CCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1 ZINC000026161495 406901970 /nfs/dbraw/zinc/90/19/70/406901970.db2.gz FAJXAKCURBXTSQ-QGZVFWFLSA-N 1 0 301.434 1.891 50 0 DDAARO Cc1nonc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071758964 406841664 /nfs/dbraw/zinc/84/16/64/406841664.db2.gz RVEMRLXSRYEDCL-CQSZACIVSA-N 1 0 306.410 1.961 50 0 DDAARO Cc1noc(C)c1CCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000028017090 406915470 /nfs/dbraw/zinc/91/54/70/406915470.db2.gz UETVHFUHPMXVLD-HNNXBMFYSA-N 1 0 323.437 1.697 50 0 DDAARO C[NH+](C)Cc1ccc(C(=O)NCC2(O)CCSCC2)cc1 ZINC000075121685 406922489 /nfs/dbraw/zinc/92/24/89/406922489.db2.gz NHBSWARJJXAITA-UHFFFAOYSA-N 1 0 308.447 1.736 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)NCCc2cccs2)c1 ZINC000075131762 406923133 /nfs/dbraw/zinc/92/31/33/406923133.db2.gz NWLJSZRLOUCLAD-CYBMUJFWSA-N 1 0 306.435 1.590 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000075132696 406923494 /nfs/dbraw/zinc/92/34/94/406923494.db2.gz PHGPQYDDBHUXLR-SMDDNHRTSA-N 1 0 306.797 1.878 50 0 DDAARO O=C(c1ccc([S@](=O)c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000075567669 406935226 /nfs/dbraw/zinc/93/52/26/406935226.db2.gz JLGQJSPXOQIWPW-QFIPXVFZSA-N 1 0 315.398 1.294 50 0 DDAARO CC[NH+](CC)[C@@H](CNC(=O)c1nccnc1N)c1ccsc1 ZINC000031985180 406945308 /nfs/dbraw/zinc/94/53/08/406945308.db2.gz FYLZUKWTBOUJKP-LBPRGKRZSA-N 1 0 319.434 1.933 50 0 DDAARO Cc1cnc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC000032675963 406951644 /nfs/dbraw/zinc/95/16/44/406951644.db2.gz UBPOVWVUNFLOHU-UHFFFAOYSA-N 1 0 311.389 1.789 50 0 DDAARO C[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)n1cncn1 ZINC000045882092 407051059 /nfs/dbraw/zinc/05/10/59/407051059.db2.gz YTSDJFULIVZGLA-BXUZGUMPSA-N 1 0 305.357 1.397 50 0 DDAARO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044502399 407024943 /nfs/dbraw/zinc/02/49/43/407024943.db2.gz NGYFSVAPTGHLOI-NSHDSACASA-N 1 0 302.827 1.926 50 0 DDAARO OCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000036903355 406985043 /nfs/dbraw/zinc/98/50/43/406985043.db2.gz STZPMCWANQAVAQ-UHFFFAOYSA-N 1 0 302.168 1.692 50 0 DDAARO Cc1nc(CC(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cs1 ZINC000077385773 406987352 /nfs/dbraw/zinc/98/73/52/406987352.db2.gz FBBMGDWVQXAYDL-MRXNPFEDSA-N 1 0 323.462 1.443 50 0 DDAARO COc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)cc1 ZINC000085436656 407101530 /nfs/dbraw/zinc/10/15/30/407101530.db2.gz VLLJKZOAFUKXQB-QGZVFWFLSA-N 1 0 318.417 1.153 50 0 DDAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc[nH]2)CC1 ZINC000079643925 407060328 /nfs/dbraw/zinc/06/03/28/407060328.db2.gz JLMPDAOCQWPSCH-UHFFFAOYSA-N 1 0 320.437 1.371 50 0 DDAARO C[C@H]([NH2+]CCn1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000089514745 407138293 /nfs/dbraw/zinc/13/82/93/407138293.db2.gz VPTKCNRDSJHPSW-NSHDSACASA-N 1 0 311.382 1.777 50 0 DDAARO O=S(=O)(CC[NH2+]C1Cc2ccccc2C1)NCC1CCC1 ZINC000089579318 407141096 /nfs/dbraw/zinc/14/10/96/407141096.db2.gz QWJZCBBWIVSNRM-UHFFFAOYSA-N 1 0 308.447 1.463 50 0 DDAARO Cc1cnc(C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)cn1 ZINC000095359708 407208681 /nfs/dbraw/zinc/20/86/81/407208681.db2.gz NLHJKSLKWOBXNL-UHFFFAOYSA-N 1 0 324.392 1.210 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ncc2c(n1)CCC2 ZINC000095379761 407212527 /nfs/dbraw/zinc/21/25/27/407212527.db2.gz DRXXNLZWYULYRF-AWEZNQCLSA-N 1 0 302.422 1.846 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057720424 407217552 /nfs/dbraw/zinc/21/75/52/407217552.db2.gz 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Fc1cnc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc1N1CCOCC1 ZINC000067447188 407274021 /nfs/dbraw/zinc/27/40/21/407274021.db2.gz UMRPRYYETYEUSF-INIZCTEOSA-N 1 0 321.400 1.032 50 0 DDAARO COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000067692785 407280118 /nfs/dbraw/zinc/28/01/18/407280118.db2.gz FOODZDGZCQRORR-CYBMUJFWSA-N 1 0 304.390 1.887 50 0 DDAARO CS(=O)(=O)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000067696379 407280802 /nfs/dbraw/zinc/28/08/02/407280802.db2.gz XJFDSGFBIDATOW-MRXNPFEDSA-N 1 0 308.447 1.666 50 0 DDAARO O=C(CSc1nc[nH]n1)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000067821936 407285377 /nfs/dbraw/zinc/28/53/77/407285377.db2.gz CILSTLUMKHJXFO-GFCCVEGCSA-N 1 0 323.466 1.668 50 0 DDAARO Cc1nc(Cc2n[nH]c([C@@H](C)[NH3+])n2)n(-c2cc(C)ccc2C)n1 ZINC000067852014 407287054 /nfs/dbraw/zinc/28/70/54/407287054.db2.gz KUGRYABIQYFPFM-LLVKDONJSA-N 1 0 311.393 1.921 50 0 DDAARO NC(=O)[C@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CCO1 ZINC000097243758 407289113 /nfs/dbraw/zinc/28/91/13/407289113.db2.gz 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/nfs/dbraw/zinc/39/20/57/407392057.db2.gz BHLYYJGKZVIUMP-ZDUSSCGKSA-N 1 0 304.390 1.601 50 0 DDAARO [NH3+]C1(CO)CCN(c2nn3cc(C4CCCC4)nc3s2)CC1 ZINC000195571616 407467802 /nfs/dbraw/zinc/46/78/02/407467802.db2.gz JTVSISCZVJYZGX-UHFFFAOYSA-N 1 0 321.450 1.738 50 0 DDAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000195577398 407468082 /nfs/dbraw/zinc/46/80/82/407468082.db2.gz QMTZQQPSNVDVJM-OLZOCXBDSA-N 1 0 311.451 1.238 50 0 DDAARO CC(C)(C)OC(=O)N1CCc2nnc([C@@H]3CC[NH2+]C3)n2CC1 ZINC000257189834 407486413 /nfs/dbraw/zinc/48/64/13/407486413.db2.gz KCCXSEUTNGCYIO-LLVKDONJSA-N 1 0 307.398 1.148 50 0 DDAARO COc1ccc(C2(C(=O)N3C[C@@H](CO)[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000257195431 407489255 /nfs/dbraw/zinc/48/92/55/407489255.db2.gz WBXZXTNNROYJDP-XJKSGUPXSA-N 1 0 318.417 1.108 50 0 DDAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178566665 407494118 /nfs/dbraw/zinc/49/41/18/407494118.db2.gz GHWSPPSYXSDWIX-OAHLLOKOSA-N 1 0 306.454 1.896 50 0 DDAARO CN(C)Cc1cnc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000253430021 407447716 /nfs/dbraw/zinc/44/77/16/407447716.db2.gz PKFGOFVXDFBCTN-AWEZNQCLSA-N 1 0 324.494 1.359 50 0 DDAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)c2nc3ccccc3s2)C1 ZINC000253430460 407449238 /nfs/dbraw/zinc/44/92/38/407449238.db2.gz LKWHGNQSTIOYEY-GMXVVIOVSA-N 1 0 319.430 1.893 50 0 DDAARO CCc1[nH+]c(CN2CCO[C@H](CC(=O)OC)C2)c2ccccn12 ZINC000170607067 407452286 /nfs/dbraw/zinc/45/22/86/407452286.db2.gz ZCZIYGSDGGOAJN-CYBMUJFWSA-N 1 0 317.389 1.661 50 0 DDAARO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cn1 ZINC000225418235 407583354 /nfs/dbraw/zinc/58/33/54/407583354.db2.gz GOPMSRXCJOIHBS-RYUDHWBXSA-N 1 0 308.382 1.009 50 0 DDAARO COc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)c(OC)c1 ZINC000220276768 407541940 /nfs/dbraw/zinc/54/19/40/407541940.db2.gz MGKGGRYQTVXEOP-ZFWWWQNUSA-N 1 0 318.417 1.799 50 0 DDAARO Cc1nc(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000229169495 407657347 /nfs/dbraw/zinc/65/73/47/407657347.db2.gz 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O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)CC(F)(F)F)CCN1 ZINC000249504969 408732847 /nfs/dbraw/zinc/73/28/47/408732847.db2.gz YELGQWMDUOYWQR-QWHCGFSZSA-N 1 0 316.323 1.863 50 0 DDAARO C[NH2+]CC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000193143479 408699954 /nfs/dbraw/zinc/69/99/54/408699954.db2.gz SQANJJVOJPDWEX-LLVKDONJSA-N 1 0 316.188 1.434 50 0 DDAARO Cc1nc(CCCNC(=O)[C@H]2[C@@H]([NH3+])[C@@H]3C=C[C@H]2O3)sc1C ZINC000252479839 408795834 /nfs/dbraw/zinc/79/58/34/408795834.db2.gz BNQHLQABVLRSAZ-WVWOOGAGSA-N 1 0 307.419 1.089 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC(=O)Nc1cn(C)nc1C ZINC000252481943 408797037 /nfs/dbraw/zinc/79/70/37/408797037.db2.gz CVTWIZRZWYIIDV-UHFFFAOYSA-N 1 0 318.425 1.572 50 0 DDAARO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)NS(C)(=O)=O ZINC000252487357 408798391 /nfs/dbraw/zinc/79/83/91/408798391.db2.gz VUMOUPRIIWWLRO-JHJVBQTASA-N 1 0 316.467 1.252 50 0 DDAARO C[C@@H](CCNC(=O)Nc1cncc(F)c1)[NH+]1CCN(C)CC1 ZINC000299755126 410608634 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C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000132777544 196282002 /nfs/dbraw/zinc/28/20/02/196282002.db2.gz SXDDSIRSCWHICW-DYLGSBMWSA-N 1 0 302.374 1.681 50 0 DDAARO CC(=O)NCCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239267 418446922 /nfs/dbraw/zinc/44/69/22/418446922.db2.gz RSGSWKAFSBGMIC-UHFFFAOYSA-N 1 0 303.406 1.077 50 0 DDAARO C[C@H]1CN(C(=O)c2ncccc2OCc2ccncc2)CC[NH2+]1 ZINC000179181745 221892494 /nfs/dbraw/zinc/89/24/94/221892494.db2.gz BOZJGPNOPHEAAH-ZDUSSCGKSA-N 1 0 312.373 1.490 50 0 DDAARO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000107322815 418498438 /nfs/dbraw/zinc/49/84/38/418498438.db2.gz SBOATRUTMGIYEG-HUUCEWRRSA-N 1 0 307.442 1.149 50 0 DDAARO Cc1cc(NC(=O)[C@H](C)N2CCC[C@H]2Cn2cncn2)on1 ZINC000257365667 418567709 /nfs/dbraw/zinc/56/77/09/418567709.db2.gz FPHXPXSFPVCSNL-RYUDHWBXSA-N 1 0 304.354 1.066 50 0 DDAARO Cc1ccc([C@H](O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1C ZINC000240886178 222210545 /nfs/dbraw/zinc/21/05/45/222210545.db2.gz INNUXSQKTQNOAE-XYJFISCASA-N 1 0 306.450 1.724 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccn2C)[C@H](C)C1 ZINC000241810006 222212406 /nfs/dbraw/zinc/21/24/06/222212406.db2.gz SCKBPGFSUIXZSV-UKRRQHHQSA-N 1 0 313.467 1.563 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000252474750 222244204 /nfs/dbraw/zinc/24/42/04/222244204.db2.gz LLAWFSJHUONGMC-ZQDZILKHSA-N 1 0 308.426 1.194 50 0 DDAARO C[C@H]([NH2+]CCON1C(=O)c2ccccc2C1=O)[C@@H]1CCCOC1 ZINC000408524657 418809064 /nfs/dbraw/zinc/80/90/64/418809064.db2.gz XDPUBCPGMXGIEO-QWHCGFSZSA-N 1 0 318.373 1.619 50 0 DDAARO CCC[NH+]1CCC(CCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426487952 419488588 /nfs/dbraw/zinc/48/85/88/419488588.db2.gz IBOMCYLUAZSJJL-UHFFFAOYSA-N 1 0 319.449 1.936 50 0 DDAARO Cn1c(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)cc2c1cccc2Cl ZINC000426361121 419446474 /nfs/dbraw/zinc/44/64/74/419446474.db2.gz GKIUKMOBJGIGDM-MNOVXSKESA-N 1 0 321.808 1.627 50 0 DDAARO Nc1ncc(-c2cccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2)cn1 ZINC000426705601 419534876 /nfs/dbraw/zinc/53/48/76/419534876.db2.gz FWIIRAZTPKGWLM-INIZCTEOSA-N 1 0 323.400 1.550 50 0 DDAARO Cn1cc(CN(C(=O)NCC(C)(C)[NH+]2CCCC2)C2CC2)cn1 ZINC000426545212 419501471 /nfs/dbraw/zinc/50/14/71/419501471.db2.gz USUMPBQJOZGUQA-UHFFFAOYSA-N 1 0 319.453 1.969 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000299740309 229374819 /nfs/dbraw/zinc/37/48/19/229374819.db2.gz YGKBWNULYIZLRS-GZMMTYOYSA-N 1 0 303.453 1.508 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000521596872 421792978 /nfs/dbraw/zinc/79/29/78/421792978.db2.gz MMEDYJNSTGTPFK-UONOGXRCSA-N 1 0 321.402 1.325 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000065403936 276070179 /nfs/dbraw/zinc/07/01/79/276070179.db2.gz XRBJCPFDRSZUCQ-GFCCVEGCSA-N 1 0 323.824 1.761 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc2c(cccc2C)n1C ZINC000299758417 276360058 /nfs/dbraw/zinc/36/00/58/276360058.db2.gz KOIDJVDWUMMPGT-YOEHRIQHSA-N 1 0 315.417 1.936 50 0 DDAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(C2CCCCC2)nc1 ZINC000067867478 277246053 /nfs/dbraw/zinc/24/60/53/277246053.db2.gz GDSLROXVGMGYLU-GJZGRUSLSA-N 1 0 317.437 1.172 50 0 DDAARO COc1ccnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000025499918 278067284 /nfs/dbraw/zinc/06/72/84/278067284.db2.gz LDSZPLCJNJCMLC-OAHLLOKOSA-N 1 0 314.389 1.316 50 0 DDAARO COc1ncccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000048414497 278096613 /nfs/dbraw/zinc/09/66/13/278096613.db2.gz POYTWRWKDQIKCX-LBPRGKRZSA-N 1 0 308.382 1.059 50 0 DDAARO C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCC(C)CC1 ZINC000069367214 279385330 /nfs/dbraw/zinc/38/53/30/279385330.db2.gz OVBADLSOSXNALW-CYBMUJFWSA-N 1 0 301.390 1.810 50 0 DDAARO Cn1cnc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1Cl ZINC000040527724 289058834 /nfs/dbraw/zinc/05/88/34/289058834.db2.gz WBXRKSFADGGIGH-UHFFFAOYSA-N 1 0 320.846 1.226 50 0 DDAARO C[C@H](C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)[NH+](C)C ZINC000092097397 289263399 /nfs/dbraw/zinc/26/33/99/289263399.db2.gz LPCOEJFVAJIBQB-CYBMUJFWSA-N 1 0 307.438 1.330 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000252474749 293003768 /nfs/dbraw/zinc/00/37/68/293003768.db2.gz LLAWFSJHUONGMC-GBJTYRQASA-N 1 0 308.426 1.194 50 0 DDAARO COc1cc(OC)nc([C@@H](c2ccccc2)N2CC[NH2+]CC2)n1 ZINC000019735120 295015300 /nfs/dbraw/zinc/01/53/00/295015300.db2.gz BGJADJLMAYMTRR-MRXNPFEDSA-N 1 0 314.389 1.488 50 0 DDAARO [NH3+]Cc1cc(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)ccn1 ZINC000262016989 295277182 /nfs/dbraw/zinc/27/71/82/295277182.db2.gz RIPJGYVCASNXOI-MRXNPFEDSA-N 1 0 314.364 1.466 50 0 DDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000495686768 307314509 /nfs/dbraw/zinc/31/45/09/307314509.db2.gz IOIMFMLRQIRVIR-DYEKYZERSA-N 1 0 323.441 1.939 50 0 DDAARO COc1ccc([C@@H]([NH3+])CC(=O)NCc2cscn2)cc1OC ZINC000534652321 334312475 /nfs/dbraw/zinc/31/24/75/334312475.db2.gz FCTNXISVZPUJLF-LBPRGKRZSA-N 1 0 321.402 1.867 50 0 DDAARO C[NH+](C)C[C@@H](O)CNC(=O)C1(c2ccccc2)CCCCC1 ZINC000534666274 334318827 /nfs/dbraw/zinc/31/88/27/334318827.db2.gz CZNDIOKSYQUPHG-INIZCTEOSA-N 1 0 304.434 1.927 50 0 DDAARO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC000585089690 483919386 /nfs/dbraw/zinc/91/93/86/483919386.db2.gz JAECKXYSSFBAPG-BPLDGKMQSA-N 1 0 307.438 1.091 50 0 DDAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCNC1=O ZINC000585105582 483923339 /nfs/dbraw/zinc/92/33/39/483923339.db2.gz KZYQOSOZJHZBKL-GOEBONIOSA-N 1 0 315.417 1.246 50 0 DDAARO COc1ncnc(N)c1C[NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000083915165 483986639 /nfs/dbraw/zinc/98/66/39/483986639.db2.gz ADAGMHGTDIENTC-DZGCQCFKSA-N 1 0 314.389 1.935 50 0 DDAARO Cc1ccccc1CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000084235670 483991591 /nfs/dbraw/zinc/99/15/91/483991591.db2.gz BWRBASXRVNPSOI-QZTJIDSGSA-N 1 0 316.445 1.985 50 0 DDAARO CCc1oncc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000092045659 484014956 /nfs/dbraw/zinc/01/49/56/484014956.db2.gz ZTPBWKMPPXJEGD-ZIAGYGMSSA-N 1 0 321.421 1.403 50 0 DDAARO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(OC)c1F)CC2 ZINC000192695369 484123539 /nfs/dbraw/zinc/12/35/39/484123539.db2.gz NEUPEHGXDJWDOF-GFCCVEGCSA-N 1 0 320.368 1.677 50 0 DDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2N)C1 ZINC000670464082 484846460 /nfs/dbraw/zinc/84/64/60/484846460.db2.gz FIWQCHKRQXTAFD-LBPRGKRZSA-N 1 0 307.394 1.063 50 0 DDAARO Nc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]n1 ZINC000670469166 484848151 /nfs/dbraw/zinc/84/81/51/484848151.db2.gz HQOSFNFNURMWFU-JTQLQIEISA-N 1 0 305.407 1.448 50 0 DDAARO CC(C)(C)CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1=O ZINC000682538934 485662540 /nfs/dbraw/zinc/66/25/40/485662540.db2.gz BMMBJWCFKDVXBS-AJNGGQMLSA-N 1 0 321.465 1.609 50 0 DDAARO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000331005549 528175257 /nfs/dbraw/zinc/17/52/57/528175257.db2.gz SOCOPVPHHBVRHX-NSHDSACASA-N 1 0 305.382 1.164 50 0 DDAARO CN(Cc1cn(C[C@H]2CCC[NH2+]C2)nn1)Cc1cccnc1 ZINC000023368593 696082956 /nfs/dbraw/zinc/08/29/56/696082956.db2.gz GJVQOSGCSLXYDQ-HNNXBMFYSA-N 1 0 300.410 1.305 50 0 DDAARO CC(C)(C)C[N@@H+]1CC[C@H](CNC(=O)CN2CCCCC2=O)C1 ZINC000067491395 696362042 /nfs/dbraw/zinc/36/20/42/696362042.db2.gz HREYPZOGAFFHIN-CQSZACIVSA-N 1 0 309.454 1.483 50 0 DDAARO C[NH2+]CC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000071759539 696392622 /nfs/dbraw/zinc/39/26/22/696392622.db2.gz PHNDRYXKAGPQGT-XYJFISCASA-N 1 0 302.418 1.885 50 0 DDAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2C1=O ZINC000169751573 697343846 /nfs/dbraw/zinc/34/38/46/697343846.db2.gz NCIUIDKQKPXLRI-IYBDPMFKSA-N 1 0 316.401 1.367 50 0 DDAARO Cc1n[nH]c(C)c1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000775466234 697999313 /nfs/dbraw/zinc/99/93/13/697999313.db2.gz ZSTZEVPNBYVBSS-UHFFFAOYSA-N 1 0 322.434 1.567 50 0 DDAARO O=C(C[NH+]1CCCCCC1)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000253411087 698406517 /nfs/dbraw/zinc/40/65/17/698406517.db2.gz OEEKXDHMHWFBJQ-OAHLLOKOSA-N 1 0 310.438 1.395 50 0 DDAARO [NH3+]CCNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000713739449 699267191 /nfs/dbraw/zinc/26/71/91/699267191.db2.gz YSKFITNBIKSCEQ-DAXSKMNVSA-N 1 0 305.197 1.298 50 0 DDAARO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)N1CCC(Nc2cccnn2)CC1 ZINC000888101568 709214045 /nfs/dbraw/zinc/21/40/45/709214045.db2.gz JBVJAEILCVQYHQ-OCCSQVGLSA-N 1 0 321.400 1.217 50 0 DDAARO O=C(NCC1CC[NH+](C[C@@H]2COCCO2)CC1)C1CCCC1 ZINC000952970140 721529369 /nfs/dbraw/zinc/52/93/69/721529369.db2.gz QQLQADNLTDFSPL-MRXNPFEDSA-N 1 0 310.438 1.420 50 0 DDAARO Cc1cc(N)n(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000952978596 721530761 /nfs/dbraw/zinc/53/07/61/721530761.db2.gz BERGQVRTDHLPHR-HNNXBMFYSA-N 1 0 313.405 1.164 50 0 DDAARO CS(=O)(=O)CC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000885939213 749776797 /nfs/dbraw/zinc/77/67/97/749776797.db2.gz VSBCALBKRWHWTP-OAHLLOKOSA-N 1 0 324.446 1.202 50 0 DDAARO Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)[nH]1 ZINC000822275534 758198179 /nfs/dbraw/zinc/19/81/79/758198179.db2.gz DNUDAEFMMURDBA-LLVKDONJSA-N 1 0 314.393 1.464 50 0 DDAARO CCCn1cc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000823033133 758265779 /nfs/dbraw/zinc/26/57/79/758265779.db2.gz QYJNAEYQEJCLMQ-MRXNPFEDSA-N 1 0 305.426 1.578 50 0 DDAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(S(=O)(=O)Cc1ccccc1)C2 ZINC000823806805 758357840 /nfs/dbraw/zinc/35/78/40/758357840.db2.gz PSHUNHIHHTWKTG-HOTGVXAUSA-N 1 0 308.447 1.933 50 0 DDAARO COCCOc1cccc(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000585131002 771964011 /nfs/dbraw/zinc/96/40/11/771964011.db2.gz ITYGUGJXIVATGI-UHFFFAOYSA-N 1 0 304.390 1.632 50 0 DDAARO Cc1csc([C@H](C)N(C)C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952861453 775588822 /nfs/dbraw/zinc/58/88/22/775588822.db2.gz GJVYKWBLIOQPLP-RYUDHWBXSA-N 1 0 324.450 1.168 50 0 DDAARO Cc1nc(NCC[N@@H+]2CCCC[C@@H]2CO)nc2c1CCCC2 ZINC000952867845 775653191 /nfs/dbraw/zinc/65/31/91/775653191.db2.gz TYKMSIBSKGTAPS-CQSZACIVSA-N 1 0 304.438 1.923 50 0 DDAARO O[C@H]1CN(c2ncccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000095521874 185377503 /nfs/dbraw/zinc/37/75/03/185377503.db2.gz YLDRQIDEAGXDAU-OAHLLOKOSA-N 1 0 301.365 1.904 50 0 DDAARO CC(C)(C)[NH2+]CCNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000078939605 185132094 /nfs/dbraw/zinc/13/20/94/185132094.db2.gz RREUUWZGAQNZNL-UHFFFAOYSA-N 1 0 316.199 1.255 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C ZINC000079099936 185158412 /nfs/dbraw/zinc/15/84/12/185158412.db2.gz OQGRBKCWNLHQMF-WFASDCNBSA-N 1 0 324.446 1.765 50 0 DDAARO CCC(CC)C(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000082230723 185174365 /nfs/dbraw/zinc/17/43/65/185174365.db2.gz KWBDZDRZUJHLMT-UHFFFAOYSA-N 1 0 319.453 1.936 50 0 DDAARO COC(=O)c1sccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000088537471 185255067 /nfs/dbraw/zinc/25/50/67/185255067.db2.gz UZCHXBUPEQFVRO-UHFFFAOYSA-N 1 0 324.446 1.831 50 0 DDAARO Nc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC000216038995 539264298 /nfs/dbraw/zinc/26/42/98/539264298.db2.gz ZHMBBPLEIIPMLL-UHFFFAOYSA-N 1 0 311.817 1.593 50 0 DDAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCCO ZINC000082109207 192357539 /nfs/dbraw/zinc/35/75/39/192357539.db2.gz DILKPCIOCNRJJI-QGZVFWFLSA-N 1 0 306.406 1.867 50 0 DDAARO Cc1ccc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)nn1 ZINC000095392890 185351967 /nfs/dbraw/zinc/35/19/67/185351967.db2.gz PURLFWZWOHGTLN-HNNXBMFYSA-N 1 0 314.437 1.927 50 0 DDAARO Cc1nnc(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)[nH]1 ZINC000095426491 185361792 /nfs/dbraw/zinc/36/17/92/185361792.db2.gz BSSQUXWSTDYBSI-ILXRZTDVSA-N 1 0 317.437 1.740 50 0 DDAARO COc1cccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1OC ZINC000095452884 185369604 /nfs/dbraw/zinc/36/96/04/185369604.db2.gz ZNKXNFGSLVVOIV-AWEZNQCLSA-N 1 0 322.405 1.464 50 0 DDAARO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000097033059 185399847 /nfs/dbraw/zinc/39/98/47/185399847.db2.gz GOHHPDFJVGFMLD-QMMMGPOBSA-N 1 0 314.183 1.555 50 0 DDAARO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000229386905 201834440 /nfs/dbraw/zinc/83/44/40/201834440.db2.gz BESMJFTXKGOPCM-PMPSAXMXSA-N 1 0 307.438 1.424 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000229589561 201842578 /nfs/dbraw/zinc/84/25/78/201842578.db2.gz UOXVVGKYBVOXKC-IAGOWNOFSA-N 1 0 305.466 1.971 50 0 DDAARO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(N)c(N)c[nH+]1 ZINC000669382947 539561558 /nfs/dbraw/zinc/56/15/58/539561558.db2.gz OGRDPRBZGOFVNG-JTQLQIEISA-N 1 0 307.398 1.692 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)NCCOc2ccccc2)c1 ZINC000069773841 190815615 /nfs/dbraw/zinc/81/56/15/190815615.db2.gz FLTNHFAUXTUBMA-HNNXBMFYSA-N 1 0 316.405 1.365 50 0 DDAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071714700 191011457 /nfs/dbraw/zinc/01/14/57/191011457.db2.gz FSLNUVZNTIMCQU-MRXNPFEDSA-N 1 0 316.449 1.504 50 0 DDAARO COCCn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071749346 191022598 /nfs/dbraw/zinc/02/25/98/191022598.db2.gz 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CCCn1nc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1=O ZINC000060567816 184152656 /nfs/dbraw/zinc/15/26/56/184152656.db2.gz RSOVRLNWHLSCLT-JSGCOSHPSA-N 1 0 304.394 1.010 50 0 DDAARO O=C(c1ccsc1)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000064142968 184292895 /nfs/dbraw/zinc/29/28/95/184292895.db2.gz GNPLVKZMSJEVEZ-UHFFFAOYSA-N 1 0 304.419 1.793 50 0 DDAARO Cc1ccc(NC(=O)C(=O)N2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000065386301 184333446 /nfs/dbraw/zinc/33/34/46/184333446.db2.gz RWCZCFMFPRFMFT-UHFFFAOYSA-N 1 0 315.417 1.878 50 0 DDAARO CC(=O)Oc1c(C)cc(C[NH2+]CCN2CCNC2=O)cc1C ZINC000065403389 184337479 /nfs/dbraw/zinc/33/74/79/184337479.db2.gz XVUBFDXFROZLFU-UHFFFAOYSA-N 1 0 305.378 1.344 50 0 DDAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000065527064 184360247 /nfs/dbraw/zinc/36/02/47/184360247.db2.gz SXFAXHMPAVPNLN-INIZCTEOSA-N 1 0 306.454 1.896 50 0 DDAARO CCOc1cc2c(c(C[NH2+]C[C@@H]3CN(C)CCO3)c1)O[C@H](C)C2 ZINC000065611346 184373847 /nfs/dbraw/zinc/37/38/47/184373847.db2.gz 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196252222 /nfs/dbraw/zinc/25/22/22/196252222.db2.gz KFMKKCKWGVYCFG-CYBMUJFWSA-N 1 0 303.337 1.973 50 0 DDAARO COCCC[N@H+](C)CCNC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000645575883 423094818 /nfs/dbraw/zinc/09/48/18/423094818.db2.gz ZXGBLDFDTZBDCD-UHFFFAOYSA-N 1 0 317.393 1.170 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000179222264 221894097 /nfs/dbraw/zinc/89/40/97/221894097.db2.gz FPVZISARHDZUHY-GXFFZTMASA-N 1 0 317.393 1.583 50 0 DDAARO C[C@H]1C[NH+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1 ZINC000048304251 418469229 /nfs/dbraw/zinc/46/92/29/418469229.db2.gz PKVCBYUZSGWVBT-QWRGUYRKSA-N 1 0 318.377 1.294 50 0 DDAARO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(N)=O)c1C ZINC000252477277 222245583 /nfs/dbraw/zinc/24/55/83/222245583.db2.gz LDEDPFVTJAQDCI-GJZGRUSLSA-N 1 0 306.406 1.301 50 0 DDAARO c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CCN(C4CC4)C3)C2)cc1 ZINC000252667699 222247459 /nfs/dbraw/zinc/24/74/59/222247459.db2.gz DGRPSFXYMARBPA-HKUYNNGSSA-N 1 0 315.461 1.714 50 0 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BFRBIKFCGIMKJR-UHFFFAOYSA-N 1 0 319.369 1.584 50 0 DDAARO O=C(NCc1nc(-c2ccccc2)no1)NC[C@@H]1CCC[NH2+]C1 ZINC000426698497 419530423 /nfs/dbraw/zinc/53/04/23/419530423.db2.gz VTWCWDLGFPAOFM-GFCCVEGCSA-N 1 0 315.377 1.535 50 0 DDAARO O=C(NCc1nc(-c2ccccc2)no1)NC[C@H]1CCC[NH2+]C1 ZINC000426698498 419530752 /nfs/dbraw/zinc/53/07/52/419530752.db2.gz VTWCWDLGFPAOFM-LBPRGKRZSA-N 1 0 315.377 1.535 50 0 DDAARO Cc1n[nH]c(C)c1CNC(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426739054 419543564 /nfs/dbraw/zinc/54/35/64/419543564.db2.gz MZOUUCWXDGYERK-ZDUSSCGKSA-N 1 0 316.409 1.006 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000426521557 419499011 /nfs/dbraw/zinc/49/90/11/419499011.db2.gz XQAKETNSRLIEDN-QMMMGPOBSA-N 1 0 305.304 1.314 50 0 DDAARO CCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000426598860 419516366 /nfs/dbraw/zinc/51/63/66/419516366.db2.gz LULOWVGBBPAZOO-HOTGVXAUSA-N 1 0 318.421 1.412 50 0 DDAARO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000299747579 229388345 /nfs/dbraw/zinc/38/83/45/229388345.db2.gz DGEQJKRUFYXCEF-ZWKOTPCHSA-N 1 0 310.397 1.859 50 0 DDAARO Cc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1OCCC[NH3+] ZINC000299789011 229445968 /nfs/dbraw/zinc/44/59/68/229445968.db2.gz YBBNDQVUNXVXHD-QGZVFWFLSA-N 1 0 318.417 1.974 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1C(F)(F)F ZINC000067843102 276262800 /nfs/dbraw/zinc/26/28/00/276262800.db2.gz RXSIGNGSGPCZQT-AAEUAGOBSA-N 1 0 315.339 1.743 50 0 DDAARO C[C@H](CC(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1)n1cccc1 ZINC000069819051 279245672 /nfs/dbraw/zinc/24/56/72/279245672.db2.gz MNBZBOISBPLOJX-CVEARBPZSA-N 1 0 321.465 1.990 50 0 DDAARO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000069348941 281393288 /nfs/dbraw/zinc/39/32/88/281393288.db2.gz FJFHJWGDYMFZFB-AWEZNQCLSA-N 1 0 313.401 1.382 50 0 DDAARO C[NH+](C)CCNC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009762920 289160851 /nfs/dbraw/zinc/16/08/51/289160851.db2.gz KJLIMJBUGFZUDI-UHFFFAOYSA-N 1 0 321.465 1.529 50 0 DDAARO 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CCCc1nc2c(cnn2C)c(N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)n1 ZINC000072166892 191066346 /nfs/dbraw/zinc/06/63/46/191066346.db2.gz JZCFRKYRYZJITN-QWHCGFSZSA-N 1 0 314.437 1.989 50 0 DDAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000072253296 191086732 /nfs/dbraw/zinc/08/67/32/191086732.db2.gz HZHFKFWRYKIODS-AWEZNQCLSA-N 1 0 314.455 1.033 50 0 DDAARO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000072280450 191101544 /nfs/dbraw/zinc/10/15/44/191101544.db2.gz BJGCWGLXRXYHRB-QGZVFWFLSA-N 1 0 301.434 1.818 50 0 DDAARO Cc1ccc(S(=O)(=O)Nc2cccc([C@H](O)C[NH3+])c2)cc1 ZINC000005595368 352114291 /nfs/dbraw/zinc/11/42/91/352114291.db2.gz RVPFAPZFCSILQY-OAHLLOKOSA-N 1 0 306.387 1.788 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2csc(-c3ncccn3)n2)C1 ZINC000072425570 191159620 /nfs/dbraw/zinc/15/96/20/191159620.db2.gz LQZFISNNJBPBDU-VHSXEESVSA-N 1 0 303.391 1.344 50 0 DDAARO Cc1ccnn1CCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072436154 191166163 /nfs/dbraw/zinc/16/61/63/191166163.db2.gz 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CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CC1=O ZINC000195111806 201341761 /nfs/dbraw/zinc/34/17/61/201341761.db2.gz UWMFINKLPVAVMZ-CABCVRRESA-N 1 0 315.417 1.552 50 0 DDAARO O=C(CCO)N[C@H]1C[N@H+](CCc2ccccc2)C[C@@H]1C1CC1 ZINC000091536556 193070278 /nfs/dbraw/zinc/07/02/78/193070278.db2.gz DEYYUAKKWNCZIL-SJORKVTESA-N 1 0 302.418 1.438 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)nc(-c2ccccc2)n1 ZINC000091547332 193071286 /nfs/dbraw/zinc/07/12/86/193071286.db2.gz WZSPBTPVXGYYFD-KGLIPLIRSA-N 1 0 311.389 1.104 50 0 DDAARO Cc1cc(CN2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)ccc1F ZINC000091934793 193128918 /nfs/dbraw/zinc/12/89/18/193128918.db2.gz JPLQLRZSLWSFCA-HZPDHXFCSA-N 1 0 310.413 1.099 50 0 DDAARO CC(C)[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC000091997100 193138107 /nfs/dbraw/zinc/13/81/07/193138107.db2.gz HEUNTORZTBHAOD-KGLIPLIRSA-N 1 0 319.405 1.118 50 0 DDAARO Cc1ccccc1NC(=O)C[C@@H]([NH2+]CCCCCC[NH3+])C(=O)[O-] ZINC000010434164 181669622 /nfs/dbraw/zinc/66/96/22/181669622.db2.gz KHMTZUHJUJMBAW-OAHLLOKOSA-N 1 0 321.421 1.886 50 0 DDAARO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000013154392 181835028 /nfs/dbraw/zinc/83/50/28/181835028.db2.gz YSZPCSVPTVDBNN-GUTXKFCHSA-N 1 0 323.389 1.402 50 0 DDAARO COC(=O)CN1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000097238537 193696758 /nfs/dbraw/zinc/69/67/58/193696758.db2.gz UHOINCGHZOFNHZ-MRXNPFEDSA-N 1 0 316.445 1.972 50 0 DDAARO COc1cc(OC)c(C(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000016602835 182051578 /nfs/dbraw/zinc/05/15/78/182051578.db2.gz MZIWAWPFTYBTAO-UHFFFAOYSA-N 1 0 308.378 1.536 50 0 DDAARO CCc1ccc(C[NH+]2CCC(n3cc(CO)nn3)CC2)nc1 ZINC000019884245 182160765 /nfs/dbraw/zinc/16/07/65/182160765.db2.gz WPIRLKWFWLBLDT-UHFFFAOYSA-N 1 0 301.394 1.565 50 0 DDAARO CC[NH+](CC)CCSc1ccc(C(=O)N2CCOCC2)cn1 ZINC000021663589 182283432 /nfs/dbraw/zinc/28/34/32/182283432.db2.gz BFZJJNYPGACUQM-UHFFFAOYSA-N 1 0 323.462 1.988 50 0 DDAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn4cccnc34)C2)cc(=O)[nH]1 ZINC000023312044 182356279 /nfs/dbraw/zinc/35/62/79/182356279.db2.gz KAWXTBKEEMQMKF-CYBMUJFWSA-N 1 0 324.388 1.501 50 0 DDAARO Cc1nc([C@H]2CCC[N@H+](Cc3cnn4cccnc34)C2)cc(=O)[nH]1 ZINC000023312048 182356683 /nfs/dbraw/zinc/35/66/83/182356683.db2.gz KAWXTBKEEMQMKF-ZDUSSCGKSA-N 1 0 324.388 1.501 50 0 DDAARO C[NH2+]Cc1cn(C2CCN(C(=O)c3cc(C)oc3C)CC2)nn1 ZINC000023368899 182358801 /nfs/dbraw/zinc/35/88/01/182358801.db2.gz PLCPPWVHKGNSHK-UHFFFAOYSA-N 1 0 317.393 1.685 50 0 DDAARO Cc1c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cnn1C ZINC000039413026 183017810 /nfs/dbraw/zinc/01/78/10/183017810.db2.gz PENPMZWMAHDYRH-GOSISDBHSA-N 1 0 320.481 1.930 50 0 DDAARO COc1cc2c(cc1OC)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000333271062 248955744 /nfs/dbraw/zinc/95/57/44/248955744.db2.gz HPXRIZGHTCXPHL-IUODEOHRSA-N 1 0 318.417 1.487 50 0 DDAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000040807482 183136453 /nfs/dbraw/zinc/13/64/53/183136453.db2.gz PVNXWZKRMAZARY-DXBFQKDVSA-N 1 0 303.189 1.893 50 0 DDAARO O=C(CCn1cncn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000041948727 183226631 /nfs/dbraw/zinc/22/66/31/183226631.db2.gz DWZMGNHREOFIIJ-AWEZNQCLSA-N 1 0 317.393 1.605 50 0 DDAARO O=C(CCn1cncn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000041952680 183226796 /nfs/dbraw/zinc/22/67/96/183226796.db2.gz SGEOFTNCIDOWLN-CYBMUJFWSA-N 1 0 319.434 1.683 50 0 DDAARO CN(Cc1ccccc1Br)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709638 183382889 /nfs/dbraw/zinc/38/28/89/183382889.db2.gz PYZSXSCFANZGMP-LBPRGKRZSA-N 1 0 313.195 1.396 50 0 DDAARO CC(C)c1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056668536 184017095 /nfs/dbraw/zinc/01/70/95/184017095.db2.gz JSJXHBZMHSHHPC-UHFFFAOYSA-N 1 0 315.417 1.839 50 0 DDAARO NS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccccc2)c1 ZINC000057945391 184063319 /nfs/dbraw/zinc/06/33/19/184063319.db2.gz GRIGCCXKGWAJJZ-UHFFFAOYSA-N 1 0 319.386 1.062 50 0 DDAARO c1ccc(-n2nnnc2N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000058217842 184089558 /nfs/dbraw/zinc/08/95/58/184089558.db2.gz XRLUBCNOKOINPH-UHFFFAOYSA-N 1 0 312.421 1.975 50 0 DDAARO CC[NH+](CC)C[C@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 ZINC000058391452 184111401 /nfs/dbraw/zinc/11/14/01/184111401.db2.gz RQQQWYLFAWKGRP-ZDUSSCGKSA-N 1 0 301.394 1.727 50 0 DDAARO O=C(COc1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058326182 184105303 /nfs/dbraw/zinc/10/53/03/184105303.db2.gz IQYPQWLEKPDZFL-UKRRQHHQSA-N 1 0 324.808 1.698 50 0 DDAARO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n(C)n1 ZINC000058393091 184111790 /nfs/dbraw/zinc/11/17/90/184111790.db2.gz CCGCLDSLRADDHI-AWEZNQCLSA-N 1 0 302.378 1.888 50 0 DDAARO CCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058393999 184112288 /nfs/dbraw/zinc/11/22/88/184112288.db2.gz NZNKQZGUXGPMKT-ZDUSSCGKSA-N 1 0 323.462 1.603 50 0 DDAARO O=S(=O)(c1cccs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000060113413 184144475 /nfs/dbraw/zinc/14/44/75/184144475.db2.gz FDAVRQNGYWHSEX-LBPRGKRZSA-N 1 0 300.449 1.997 50 0 DDAARO C[N@@H+]1CCN2CCN(C(=O)NC(C)(C)CC(C)(C)C)C[C@H]2C1 ZINC000065384632 184333087 /nfs/dbraw/zinc/33/30/87/184333087.db2.gz URBIXIHKJSYMRC-CQSZACIVSA-N 1 0 310.486 1.842 50 0 DDAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@H](C)Cn2cncn2)n1 ZINC000065372741 184330542 /nfs/dbraw/zinc/33/05/42/184330542.db2.gz LIRPRRJYPJNITL-SNVBAGLBSA-N 1 0 314.315 1.616 50 0 DDAARO O=C(NCCC1=CCCCC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065380575 184331994 /nfs/dbraw/zinc/33/19/94/184331994.db2.gz BZTPDLIABFUPSY-OAHLLOKOSA-N 1 0 317.437 1.898 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000065414402 184340800 /nfs/dbraw/zinc/34/08/00/184340800.db2.gz GXPQTVGKAKHCRB-INIZCTEOSA-N 1 0 317.433 1.146 50 0 DDAARO O=C(NCCNc1ncccn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065423354 184342203 /nfs/dbraw/zinc/34/22/03/184342203.db2.gz HMUDXRRSIQUESJ-AWEZNQCLSA-N 1 0 318.425 1.158 50 0 DDAARO COc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cn1cncn1 ZINC000065469848 184350652 /nfs/dbraw/zinc/35/06/52/184350652.db2.gz GRBQPGOUTHNJMT-HNNXBMFYSA-N 1 0 310.361 1.293 50 0 DDAARO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000065589291 184369211 /nfs/dbraw/zinc/36/92/11/184369211.db2.gz VGQZPNOUQBQOKB-GFCCVEGCSA-N 1 0 319.405 1.533 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000066126856 184391113 /nfs/dbraw/zinc/39/11/13/184391113.db2.gz NDNUJHKREGNLEH-NWDGAFQWSA-N 1 0 311.451 1.713 50 0 DDAARO O=C(c1cc(Cl)ccn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000065611825 184373613 /nfs/dbraw/zinc/37/36/13/184373613.db2.gz ANGSHBLEHSHKCZ-UHFFFAOYSA-N 1 0 323.824 1.919 50 0 DDAARO Cc1nc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)cc2o1 ZINC000155513329 197061769 /nfs/dbraw/zinc/06/17/69/197061769.db2.gz MVSVCRRUZRVOHU-UHFFFAOYSA-N 1 0 316.361 1.239 50 0 DDAARO [NH3+]CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000237979824 257238736 /nfs/dbraw/zinc/23/87/36/257238736.db2.gz WTSDLMSHTFKRFF-HNNXBMFYSA-N 1 0 312.348 1.992 50 0 DDAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2)cn1 ZINC000071797252 184845303 /nfs/dbraw/zinc/84/53/03/184845303.db2.gz BLBGYMHPSFCDNV-DOTOQJQBSA-N 1 0 301.390 1.997 50 0 DDAARO CCOCC[N@H+](C)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000408523751 286075797 /nfs/dbraw/zinc/07/57/97/286075797.db2.gz VBHFPKDYXIRXFD-OAHLLOKOSA-N 1 0 304.431 1.573 50 0 DDAARO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000000003961 406613884 /nfs/dbraw/zinc/61/38/84/406613884.db2.gz FEROPKNOYKURCJ-CYBMUJFWSA-N 1 0 309.797 1.755 50 0 investigational DDAARO [NH2+]=C(COc1ccccc1)NNS(=O)(=O)c1ccccc1 ZINC000001397370 406667717 /nfs/dbraw/zinc/66/77/17/406667717.db2.gz UNXISIAQYQSSDG-UHFFFAOYSA-N 1 0 305.359 1.526 50 0 DDAARO O=C1OCCN1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000068967202 406674426 /nfs/dbraw/zinc/67/44/26/406674426.db2.gz CJZBKGDBXXZIKO-UHFFFAOYSA-N 1 0 321.396 1.786 50 0 DDAARO CC1(C)CC(NC(=O)C(=O)NCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000002814041 406701421 /nfs/dbraw/zinc/70/14/21/406701421.db2.gz XWMXBOITBOHTMD-UHFFFAOYSA-N 1 0 317.433 1.728 50 0 DDAARO COc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc2c1OCO2 ZINC000069589651 406739942 /nfs/dbraw/zinc/73/99/42/406739942.db2.gz BIZUOKGKHSMZQP-CQSZACIVSA-N 1 0 320.389 1.377 50 0 DDAARO CCCN(C(=O)C[NH2+][C@H]1CCc2ncnn2C1)C1=CCCCC1 ZINC000069600243 406743483 /nfs/dbraw/zinc/74/34/83/406743483.db2.gz REMVHPWOGPMQKR-AWEZNQCLSA-N 1 0 317.437 1.879 50 0 DDAARO C[C@H](OC[C@H](O)C[NH2+]CCOCCO)c1ccc(Cl)cc1 ZINC000006936423 406744621 /nfs/dbraw/zinc/74/46/21/406744621.db2.gz JSVCAZLHEZKVLX-SWLSCSKDSA-N 1 0 317.813 1.377 50 0 DDAARO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cn[nH]c2)CC1 ZINC000069738702 406763593 /nfs/dbraw/zinc/76/35/93/406763593.db2.gz JGHVPNPOMPCPLM-UHFFFAOYSA-N 1 0 314.393 1.483 50 0 DDAARO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1 ZINC000007728022 406765928 /nfs/dbraw/zinc/76/59/28/406765928.db2.gz KRBWUUUGZYKLGH-UHFFFAOYSA-N 1 0 312.435 1.850 50 0 DDAARO COCCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cn1 ZINC000069419386 406709051 /nfs/dbraw/zinc/70/90/51/406709051.db2.gz QOSWYDNPOFMSGJ-LBPRGKRZSA-N 1 0 308.382 1.180 50 0 DDAARO CC(C)([NH2+]CC(=O)NCC1CC1)c1ccc2c(c1)OCCO2 ZINC000069508803 406724827 /nfs/dbraw/zinc/72/48/27/406724827.db2.gz GPLNPBGTDAPORS-UHFFFAOYSA-N 1 0 304.390 1.809 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000069511597 406725624 /nfs/dbraw/zinc/72/56/24/406725624.db2.gz PRKLZYWQHWAHIN-XQLPTFJDSA-N 1 0 308.426 1.414 50 0 DDAARO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncnc2cc(F)ccc21 ZINC000069811178 406776233 /nfs/dbraw/zinc/77/62/33/406776233.db2.gz RQSDJRKUUQNZBD-LBPRGKRZSA-N 1 0 303.385 1.817 50 0 DDAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCNc1ncccn1 ZINC000069872362 406784801 /nfs/dbraw/zinc/78/48/01/406784801.db2.gz QRNDCNRWGHUMOA-KBPBESRZSA-N 1 0 303.410 1.364 50 0 DDAARO Cc1cn2c(C[NH2+]C[C@H]3CN(C4CC4)CCO3)c(C)nc2s1 ZINC000069894302 406785562 /nfs/dbraw/zinc/78/55/62/406785562.db2.gz PITNEICFXFBSMJ-AWEZNQCLSA-N 1 0 320.462 1.965 50 0 DDAARO COc1cc(C[NH2+]CCn2cc(C)cn2)cc2c1OCCO2 ZINC000069901568 406789155 /nfs/dbraw/zinc/78/91/55/406789155.db2.gz IOSRFRSWDAKCIU-UHFFFAOYSA-N 1 0 303.362 1.761 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000069927235 406793463 /nfs/dbraw/zinc/79/34/63/406793463.db2.gz PNVFELLEYGOPPQ-JKSUJKDBSA-N 1 0 307.438 1.474 50 0 DDAARO COC(=O)NCCCC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000069949029 406793763 /nfs/dbraw/zinc/79/37/63/406793763.db2.gz CZOBNYFYVOLKNU-ZDUSSCGKSA-N 1 0 316.398 1.023 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CCc2ccco2)CC1 ZINC000069949705 406794011 /nfs/dbraw/zinc/79/40/11/406794011.db2.gz OFHGFOPHUCIHII-HNNXBMFYSA-N 1 0 308.422 1.763 50 0 DDAARO CC[N@H+](C)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011816703 406831141 /nfs/dbraw/zinc/83/11/41/406831141.db2.gz JDUPHHOTUSGKMA-MRXNPFEDSA-N 1 0 312.360 1.770 50 0 DDAARO COc1cc(C[NH2+]CCNc2ncccn2)cc2c1OCO2 ZINC000071825406 406847587 /nfs/dbraw/zinc/84/75/87/406847587.db2.gz MKAUNYTZWAQSEV-UHFFFAOYSA-N 1 0 302.334 1.416 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2cnc3ccccc3c2=O)CC1 ZINC000071825030 406847887 /nfs/dbraw/zinc/84/78/87/406847887.db2.gz NNWAEVQQPJZHNK-CQSZACIVSA-N 1 0 301.390 1.489 50 0 DDAARO Cc1nc2ccccc2n1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000071828410 406848842 /nfs/dbraw/zinc/84/88/42/406848842.db2.gz CPKVZGRTIQGAFH-UHFFFAOYSA-N 1 0 300.406 1.897 50 0 DDAARO O=C(C[NH2+]CCn1cccn1)NCCc1ccc(Cl)cc1 ZINC000072267850 406876267 /nfs/dbraw/zinc/87/62/67/406876267.db2.gz GCDUJXOTZCGBCA-UHFFFAOYSA-N 1 0 306.797 1.485 50 0 DDAARO CC12CN3CC(C[N@H+](C1)CC3)[C@@H]2NC(=S)Nc1ccccc1 ZINC000020676653 406887077 /nfs/dbraw/zinc/88/70/77/406887077.db2.gz ASJMMVJCMUMUDZ-GULBITTBSA-N 1 0 316.474 1.609 50 0 DDAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 ZINC000020725294 406888124 /nfs/dbraw/zinc/88/81/24/406888124.db2.gz MWKPSZICRULCTP-AWDGRILASA-N 1 0 309.450 1.913 50 0 DDAARO CC[NH+]1CCN(CCC(=O)NCC2(O)CCCCCC2)CC1 ZINC000073798511 406895013 /nfs/dbraw/zinc/89/50/13/406895013.db2.gz SIYHILOHDQSFRM-UHFFFAOYSA-N 1 0 311.470 1.216 50 0 DDAARO O=S(=O)(Cc1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000025372229 406897033 /nfs/dbraw/zinc/89/70/33/406897033.db2.gz UPYHDKOHUHLKPN-UHFFFAOYSA-N 1 0 312.410 1.872 50 0 DDAARO CCCn1nc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1=O ZINC000029787313 406927354 /nfs/dbraw/zinc/92/73/54/406927354.db2.gz XJIPETLZPIMONN-UHFFFAOYSA-N 1 0 320.437 1.692 50 0 DDAARO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc2ncccc21 ZINC000076062421 406952866 /nfs/dbraw/zinc/95/28/66/406952866.db2.gz SWRVLCWMQLVOTN-ZDUSSCGKSA-N 1 0 319.430 1.950 50 0 DDAARO CC[NH+](CC)[C@H](C)CNC(=O)CCNC(=O)c1cccc(C)c1 ZINC000032922974 406956712 /nfs/dbraw/zinc/95/67/12/406956712.db2.gz VXQXUDDISBSWSG-OAHLLOKOSA-N 1 0 319.449 1.961 50 0 DDAARO O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[NH2+]CCO1 ZINC000043707774 407018955 /nfs/dbraw/zinc/01/89/55/407018955.db2.gz ISIQRUXUZPYDNV-GFCCVEGCSA-N 1 0 303.189 1.641 50 0 DDAARO C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)n1cncn1 ZINC000045882089 407051152 /nfs/dbraw/zinc/05/11/52/407051152.db2.gz YTSDJFULIVZGLA-SMDDNHRTSA-N 1 0 305.357 1.397 50 0 DDAARO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC1CCCCC1 ZINC000044715299 407028789 /nfs/dbraw/zinc/02/87/89/407028789.db2.gz CKZKLDKBIQAWGR-ZFWWWQNUSA-N 1 0 309.454 1.611 50 0 DDAARO COCCN1CC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000078663171 407039827 /nfs/dbraw/zinc/03/98/27/407039827.db2.gz ZYSYVYWQIRVSFF-MRXNPFEDSA-N 1 0 300.406 1.683 50 0 DDAARO C=C1C(N2CCC[NH2+]CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000045796214 407049617 /nfs/dbraw/zinc/04/96/17/407049617.db2.gz JWYNVRLWZAEMPP-UHFFFAOYSA-N 1 0 319.430 1.763 50 0 DDAARO CC(C)c1cc([C@H]2CCCN2C(=O)c2cn(CC[NH3+])nn2)no1 ZINC000077506136 406993551 /nfs/dbraw/zinc/99/35/51/406993551.db2.gz MUVCKQWUOCGOJE-CYBMUJFWSA-N 1 0 318.381 1.326 50 0 DDAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000038083544 406998943 /nfs/dbraw/zinc/99/89/43/406998943.db2.gz QDJJTLLLNFZDEZ-NSHDSACASA-N 1 0 309.391 1.502 50 0 DDAARO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000038478375 407000855 /nfs/dbraw/zinc/00/08/55/407000855.db2.gz UGAYGSJRKGXOEM-QWHCGFSZSA-N 1 0 309.207 1.984 50 0 DDAARO O=C(/C=C/c1cccs1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436580 407101876 /nfs/dbraw/zinc/10/18/76/407101876.db2.gz KVDCQMVEVZHZCR-LLYBFZRZSA-N 1 0 306.431 1.676 50 0 DDAARO COc1cc(OC)cc(C(=O)N2CCOC[C@H]2C[NH+](C)C)c1 ZINC000085469845 407102389 /nfs/dbraw/zinc/10/23/89/407102389.db2.gz LNHYCQWIGBWTCC-CYBMUJFWSA-N 1 0 308.378 1.106 50 0 DDAARO C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000085469721 407102927 /nfs/dbraw/zinc/10/29/27/407102927.db2.gz ZOGZCVJUPGWDGQ-CQSZACIVSA-N 1 0 314.389 1.479 50 0 DDAARO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000050242046 407129896 /nfs/dbraw/zinc/12/98/96/407129896.db2.gz WUAPYENQFQLYIQ-JTQLQIEISA-N 1 0 319.224 1.479 50 0 DDAARO Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCC[NH2+]3)n2)c1 ZINC000055042686 407192750 /nfs/dbraw/zinc/19/27/50/407192750.db2.gz JJYVXGDMCNECQY-CYBMUJFWSA-N 1 0 300.362 1.755 50 0 DDAARO O=c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc2sccn21 ZINC000052753204 407156165 /nfs/dbraw/zinc/15/61/65/407156165.db2.gz LOGIOXNXDAZRCF-NSHDSACASA-N 1 0 305.403 1.757 50 0 DDAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCOCC1 ZINC000053548228 407170999 /nfs/dbraw/zinc/17/09/99/407170999.db2.gz PIHGTSLFKFNRDA-ZDUSSCGKSA-N 1 0 309.435 1.927 50 0 DDAARO CC[NH+]1CCC(NC(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000054000570 407177343 /nfs/dbraw/zinc/17/73/43/407177343.db2.gz WSAIWYMYUQHWLG-UHFFFAOYSA-N 1 0 304.316 1.653 50 0 DDAARO [NH3+]CC[C@H]1CN(Cc2cc(=O)c3cccc(F)c3[nH]2)CCO1 ZINC000091254567 407181318 /nfs/dbraw/zinc/18/13/18/407181318.db2.gz ITHDMLOKHPUFQM-LBPRGKRZSA-N 1 0 305.353 1.217 50 0 DDAARO C/C=C/CC(=O)N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000091693663 407183128 /nfs/dbraw/zinc/18/31/28/407183128.db2.gz ZBPUHFGPQGJOHB-WRFKIARRSA-N 1 0 321.465 1.745 50 0 DDAARO Cc1ccc(-c2ncc(C(=O)N[C@H]3CCC[NH2+]C3)c(=O)[nH]2)cc1 ZINC000091707644 407183465 /nfs/dbraw/zinc/18/34/65/407183465.db2.gz KITQEQLAZCVFGP-ZDUSSCGKSA-N 1 0 312.373 1.227 50 0 DDAARO O=C(c1cccnn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091737617 407183511 /nfs/dbraw/zinc/18/35/11/407183511.db2.gz YUJCJBRJSQWXPF-GOEBONIOSA-N 1 0 323.400 1.608 50 0 DDAARO COC[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1ccnn1C ZINC000055153444 407196579 /nfs/dbraw/zinc/19/65/79/407196579.db2.gz OKQVAJQHVRLYAR-OAHLLOKOSA-N 1 0 322.453 1.880 50 0 DDAARO CCc1c(C)nn(CCn2cc([C@@H]3CCC[NH2+]C3)nn2)c1C ZINC000095376481 407210986 /nfs/dbraw/zinc/21/09/86/407210986.db2.gz DXBRGJPZZFLPPJ-CQSZACIVSA-N 1 0 302.426 1.821 50 0 DDAARO CS(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386385 407212231 /nfs/dbraw/zinc/21/22/31/407212231.db2.gz CEYBQWJKJUEZHE-ARFHVFGLSA-N 1 0 324.421 1.647 50 0 DDAARO CC[C@H](C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)[NH+](C)C ZINC000095441655 407214574 /nfs/dbraw/zinc/21/45/74/407214574.db2.gz XFGFCVPZGHQHRA-LSDHHAIUSA-N 1 0 303.406 1.941 50 0 DDAARO Cc1nc(-c2ccncc2)nc2c1CCC(=O)N2CC[NH+](C)C ZINC000065289292 407242083 /nfs/dbraw/zinc/24/20/83/407242083.db2.gz ZKEHLOCQILJICF-UHFFFAOYSA-N 1 0 311.389 1.688 50 0 DDAARO CCOc1ncccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066178052 407247134 /nfs/dbraw/zinc/24/71/34/407247134.db2.gz MFRMDAVNMREEMR-OAHLLOKOSA-N 1 0 318.421 1.860 50 0 DDAARO CC(C)(C)C(=O)N1CCC[N@H+](CCOC[C@@H]2CCCO2)CC1 ZINC000096421133 407263410 /nfs/dbraw/zinc/26/34/10/407263410.db2.gz NXFSEOCUPHMKPV-HNNXBMFYSA-N 1 0 312.454 1.762 50 0 DDAARO Cc1nccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000096429232 407264862 /nfs/dbraw/zinc/26/48/62/407264862.db2.gz KNNKKQJLKHPYOF-UHFFFAOYSA-N 1 0 318.343 1.876 50 0 DDAARO CNS(=O)(=O)CCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000096452925 407268841 /nfs/dbraw/zinc/26/88/41/407268841.db2.gz QYINOUHMTRVUFM-TZMCWYRMSA-N 1 0 306.472 1.093 50 0 DDAARO CCS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000096456146 407269165 /nfs/dbraw/zinc/26/91/65/407269165.db2.gz BVQHGEOPUDOUQI-KBPBESRZSA-N 1 0 318.483 1.547 50 0 DDAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000097051838 407276887 /nfs/dbraw/zinc/27/68/87/407276887.db2.gz DAVFPSWGVFERBZ-OAHLLOKOSA-N 1 0 312.435 1.347 50 0 DDAARO CN(Cc1ncc[nH]1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000067605998 407277449 /nfs/dbraw/zinc/27/74/49/407277449.db2.gz KIBVJURMKPPBDM-UHFFFAOYSA-N 1 0 302.378 1.873 50 0 DDAARO CCc1[nH]nc(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)c1C ZINC000097076470 407277974 /nfs/dbraw/zinc/27/79/74/407277974.db2.gz GNASQSKAYMJKDV-LBPRGKRZSA-N 1 0 307.442 1.036 50 0 DDAARO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1nnc[nH]1 ZINC000067641646 407278635 /nfs/dbraw/zinc/27/86/35/407278635.db2.gz AVUDPTGNWBMEID-NDRDAGNVSA-N 1 0 315.377 1.553 50 0 DDAARO O=C(CC(F)(F)F)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000097081777 407278936 /nfs/dbraw/zinc/27/89/36/407278936.db2.gz VYLZGZDVYWVIHH-CYBMUJFWSA-N 1 0 316.323 1.822 50 0 DDAARO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(C(N)=O)cs1)C2 ZINC000097084969 407279920 /nfs/dbraw/zinc/27/99/20/407279920.db2.gz 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CC[NH+](CC)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000044666960 407029214 /nfs/dbraw/zinc/02/92/14/407029214.db2.gz OOUMEXMYTUPGNT-UHFFFAOYSA-N 1 0 321.421 1.590 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(F)ccc2F)CC1 ZINC000078595492 407035213 /nfs/dbraw/zinc/03/52/13/407035213.db2.gz BNNQBPTYYUTASV-ZDUSSCGKSA-N 1 0 312.360 1.787 50 0 DDAARO COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)[NH+](C)C)c1 ZINC000045195585 407041416 /nfs/dbraw/zinc/04/14/16/407041416.db2.gz ABPLELGAKZMLLH-IUODEOHRSA-N 1 0 317.393 1.267 50 0 DDAARO CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045658445 407046961 /nfs/dbraw/zinc/04/69/61/407046961.db2.gz ZMERDVMTAXKPRT-AWEZNQCLSA-N 1 0 321.450 1.926 50 0 DDAARO CCOc1ccccc1N1CCN(C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000077355883 406986075 /nfs/dbraw/zinc/98/60/75/406986075.db2.gz VODJNHZQXIZZRE-GOSISDBHSA-N 1 0 319.449 1.322 50 0 DDAARO CCN1CC2(CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)OC1=O ZINC000077453946 406990977 /nfs/dbraw/zinc/99/09/77/406990977.db2.gz 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O=C(N1CCC[C@@H](c2nnc[nH]2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000670455782 484841741 /nfs/dbraw/zinc/84/17/41/484841741.db2.gz JRPCZXZDAGCEBG-CQSZACIVSA-N 1 0 317.437 1.919 50 0 DDAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1cccnc1 ZINC000299772966 534782324 /nfs/dbraw/zinc/78/23/24/534782324.db2.gz DCSUKKZWOVREBD-SJORKVTESA-N 1 0 323.396 1.548 50 0 DDAARO CC(C)(C)S(=O)(=O)N1CCC([NH2+]CC2(C)COC2)CC1 ZINC000329052099 526600550 /nfs/dbraw/zinc/60/05/50/526600550.db2.gz HHWJZVGNQDOYEI-UHFFFAOYSA-N 1 0 304.456 1.205 50 0 DDAARO CCOC[C@@H]1CCCN1C(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426643090 528926215 /nfs/dbraw/zinc/92/62/15/528926215.db2.gz YRVSSEAFBYRROE-HNNXBMFYSA-N 1 0 306.406 1.974 50 0 DDAARO CC[C@H](CNC(=O)c1cnc(-c2ccccn2)nc1)[N@H+](C)CC ZINC000426544471 529359527 /nfs/dbraw/zinc/35/95/27/529359527.db2.gz RVKOBSBHKXTGKT-CQSZACIVSA-N 1 0 313.405 1.999 50 0 DDAARO O=C1C[C@H]([NH2+]Cc2cccnc2)CN1C1Cc2ccccc2C1 ZINC000011821804 696047739 /nfs/dbraw/zinc/04/77/39/696047739.db2.gz 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BRHFUSNGZMRUBJ-OAHLLOKOSA-N 1 0 315.417 1.293 50 0 DDAARO COc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)[NH+](C)C)c1 ZINC000057288435 184032180 /nfs/dbraw/zinc/03/21/80/184032180.db2.gz JKFHBHXPQKTEBQ-OAHLLOKOSA-N 1 0 315.373 1.416 50 0 DDAARO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n(C)n1 ZINC000058393092 184111892 /nfs/dbraw/zinc/11/18/92/184111892.db2.gz CCGCLDSLRADDHI-CQSZACIVSA-N 1 0 302.378 1.888 50 0 DDAARO O=C(Nc1ncccn1)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000058368119 184109417 /nfs/dbraw/zinc/10/94/17/184109417.db2.gz CALKIIAZQYYRRQ-UHFFFAOYSA-N 1 0 318.421 1.822 50 0 DDAARO CC[NH+]1CCC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000058261857 184095483 /nfs/dbraw/zinc/09/54/83/184095483.db2.gz SATFNZMXPCYJFL-UHFFFAOYSA-N 1 0 315.417 1.874 50 0 DDAARO c1csc([C@H](CNc2ccc3nnnn3n2)[NH+]2CCCC2)c1 ZINC000058263916 184095499 /nfs/dbraw/zinc/09/54/99/184095499.db2.gz UHTAOTVDSDCYAO-NSHDSACASA-N 1 0 315.406 1.830 50 0 DDAARO C[C@@H](CNC(=O)CCNc1ncccn1)[NH+]1CCC(C)CC1 ZINC000058283487 184100161 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Cc1nc(CC[NH2+][C@H](C)Cn2cncn2)nc2c1CCCC2 ZINC000065499719 184355225 /nfs/dbraw/zinc/35/52/25/184355225.db2.gz YNYVPVICOKBBNG-GFCCVEGCSA-N 1 0 300.410 1.476 50 0 DDAARO C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)N1CCOCC1 ZINC000065516941 184358657 /nfs/dbraw/zinc/35/86/57/184358657.db2.gz GVSFTOFTPBPUTF-CYBMUJFWSA-N 1 0 301.394 1.282 50 0 DDAARO O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269219957 207339891 /nfs/dbraw/zinc/33/98/91/207339891.db2.gz HVHOYTWLDIKZCL-HUUCEWRRSA-N 1 0 306.381 1.477 50 0 DDAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000069373812 184510625 /nfs/dbraw/zinc/51/06/25/184510625.db2.gz YDCYHDWCWZUSBE-CHWSQXEVSA-N 1 0 319.361 1.030 50 0 DDAARO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000019798210 285041437 /nfs/dbraw/zinc/04/14/37/285041437.db2.gz NEPGVIUKFMUPGZ-INIZCTEOSA-N 1 0 302.399 1.852 50 0 DDAARO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000004763434 257218512 /nfs/dbraw/zinc/21/85/12/257218512.db2.gz LCJOVPVEQHMTHB-LKTVYLICSA-N 1 0 316.405 1.054 50 0 DDAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2(C)CC2)CC1 ZINC000376415433 257234922 /nfs/dbraw/zinc/23/49/22/257234922.db2.gz LJCINXKTMPOSKF-AWEZNQCLSA-N 1 0 322.453 1.125 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C1(c2ccc(C)cc2)CC1 ZINC000219822440 257274001 /nfs/dbraw/zinc/27/40/01/257274001.db2.gz BMZWCVMQUJODSD-HOTGVXAUSA-N 1 0 302.418 1.862 50 0 DDAARO COc1cc([C@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)ccc1OC(C)C ZINC000358796103 257236195 /nfs/dbraw/zinc/23/61/95/257236195.db2.gz CKMSPXYJRBECED-FPMFFAJLSA-N 1 0 322.405 1.382 50 0 DDAARO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000297402041 257236722 /nfs/dbraw/zinc/23/67/22/257236722.db2.gz PLVAWTWSVLDLLT-YEWWUXTCSA-N 1 0 300.402 1.924 50 0 DDAARO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000156129458 257239339 /nfs/dbraw/zinc/23/93/39/257239339.db2.gz MICKONACRIUAJY-WDEREUQCSA-N 1 0 314.407 1.204 50 0 DDAARO CCCCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)no1 ZINC000229378592 257260299 /nfs/dbraw/zinc/26/02/99/257260299.db2.gz FYFPBJQMUNYTNZ-KGLIPLIRSA-N 1 0 310.442 1.689 50 0 DDAARO C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1 ZINC000000175728 406628652 /nfs/dbraw/zinc/62/86/52/406628652.db2.gz SXDSBHHNYIGKKY-UHFFFAOYSA-N 1 0 308.389 1.626 50 0 DDAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000000254586 406634263 /nfs/dbraw/zinc/63/42/63/406634263.db2.gz MBFAFIQCWLPFQG-UHFFFAOYSA-N 1 0 303.406 1.829 50 0 DDAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000002840436 406703905 /nfs/dbraw/zinc/70/39/05/406703905.db2.gz XGVMCXZJLCYLAK-OAHLLOKOSA-N 1 0 307.390 1.701 50 0 DDAARO O[C@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCCCC1 ZINC000000351434 406641929 /nfs/dbraw/zinc/64/19/29/406641929.db2.gz VTZUPRNGLZGTHN-GJZGRUSLSA-N 1 0 307.390 1.690 50 0 DDAARO O=C(CSCc1ccccn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069587915 406740701 /nfs/dbraw/zinc/74/07/01/406740701.db2.gz GUDYGEFKAHJJRO-ZDUSSCGKSA-N 1 0 305.447 1.915 50 0 DDAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCN1c1ccc2nncn2n1 ZINC000069740974 406764987 /nfs/dbraw/zinc/76/49/87/406764987.db2.gz ZTOQIZWEFPNNAU-KGLIPLIRSA-N 1 0 316.409 1.204 50 0 DDAARO O=C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069743784 406766636 /nfs/dbraw/zinc/76/66/36/406766636.db2.gz IWABRECRABNZDW-QGZVFWFLSA-N 1 0 323.481 1.433 50 0 DDAARO C[C@@H]1CN([C@@H]2CCOC2=O)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069846535 406782193 /nfs/dbraw/zinc/78/21/93/406782193.db2.gz KXTFZCOTNXAOTI-BMFZPTHFSA-N 1 0 304.390 1.042 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)CC2 ZINC000070020943 406805005 /nfs/dbraw/zinc/80/50/05/406805005.db2.gz QVUWAGTUZIRFMB-HOTGVXAUSA-N 1 0 316.405 1.069 50 0 DDAARO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000069951749 406797199 /nfs/dbraw/zinc/79/71/99/406797199.db2.gz JSXBICYGZCBLNC-OAHLLOKOSA-N 1 0 303.406 1.916 50 0 DDAARO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@@H](C)n1cccn1 ZINC000069969846 406798454 /nfs/dbraw/zinc/79/84/54/406798454.db2.gz PPOAZKUPBPNXTK-CHWSQXEVSA-N 1 0 302.378 1.487 50 0 DDAARO OCC[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000069977707 406799600 /nfs/dbraw/zinc/79/96/00/406799600.db2.gz UVWHUAYBJIAMKZ-GDBMZVCRSA-N 1 0 311.397 1.798 50 0 DDAARO COCc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000011764735 406830385 /nfs/dbraw/zinc/83/03/85/406830385.db2.gz IVRIWVOBPOBIAZ-CYBMUJFWSA-N 1 0 302.378 1.975 50 0 DDAARO C[C@@H]1CN(C(=O)CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 ZINC000071837078 406850485 /nfs/dbraw/zinc/85/04/85/406850485.db2.gz QDABGNOQXWCTKV-CHWSQXEVSA-N 1 0 322.453 1.823 50 0 DDAARO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)[C@H](C)n3cccn3)nc12 ZINC000071882081 406860858 /nfs/dbraw/zinc/86/08/58/406860858.db2.gz PKVNTACNHIWNBP-KGLIPLIRSA-N 1 0 311.389 1.939 50 0 DDAARO CC(C)c1n[nH]c2c1CN(Cc1cc3n(n1)CC[NH2+]C3)CC2 ZINC000072157004 406875094 /nfs/dbraw/zinc/87/50/94/406875094.db2.gz BNUSQJNXUCVIMI-UHFFFAOYSA-N 1 0 300.410 1.391 50 0 DDAARO O=C(Cc1ccccc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269217 406876082 /nfs/dbraw/zinc/87/60/82/406876082.db2.gz PLGVRNMADRKNLL-JKSUJKDBSA-N 1 0 306.381 1.426 50 0 DDAARO OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020230716 406885999 /nfs/dbraw/zinc/88/59/99/406885999.db2.gz MGPYHYSPNJVXMK-UHFFFAOYSA-N 1 0 309.719 1.868 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000023631059 406892182 /nfs/dbraw/zinc/89/21/82/406892182.db2.gz BGHWXUHZKISXKK-CYBMUJFWSA-N 1 0 316.409 1.054 50 0 DDAARO C[NH+]1CCN(c2nc(CSc3ccccn3)cc(=O)[nH]2)CC1 ZINC000012325103 406840979 /nfs/dbraw/zinc/84/09/79/406840979.db2.gz RDOQKEWVDUACNL-UHFFFAOYSA-N 1 0 317.418 1.209 50 0 DDAARO C[N@@H+]1CCN(c2nccc(CCC(F)(F)F)n2)C[C@@H]1CCO ZINC000071662948 406843025 /nfs/dbraw/zinc/84/30/25/406843025.db2.gz UXLRGYWWKMXYOP-LBPRGKRZSA-N 1 0 318.343 1.474 50 0 DDAARO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000034884189 406965112 /nfs/dbraw/zinc/96/51/12/406965112.db2.gz UZYFOVADTIITFO-HOCLYGCPSA-N 1 0 307.390 1.333 50 0 DDAARO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cccc(O)c2)cc1 ZINC000075133452 406923328 /nfs/dbraw/zinc/92/33/28/406923328.db2.gz PAXKEEZUPZTNAG-UHFFFAOYSA-N 1 0 321.398 1.964 50 0 DDAARO COS(=O)(=O)N[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000029786636 406927312 /nfs/dbraw/zinc/92/73/12/406927312.db2.gz YVWBLOGFTFHGMC-GJZGRUSLSA-N 1 0 306.387 1.909 50 0 DDAARO COc1cc(C[NH2+][C@H](C)Cn2cccn2)cc2c1OCCO2 ZINC000030904476 406935612 /nfs/dbraw/zinc/93/56/12/406935612.db2.gz ZBIKMSRUQCLMEX-GFCCVEGCSA-N 1 0 303.362 1.841 50 0 DDAARO CCc1cc(NCc2cnc(C)cn2)nc(N2CCOCC2)[nH+]1 ZINC000032541391 406948626 /nfs/dbraw/zinc/94/86/26/406948626.db2.gz AJEGZTOOVYIAFP-UHFFFAOYSA-N 1 0 314.393 1.586 50 0 DDAARO C[N@@H+]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000032731235 406951791 /nfs/dbraw/zinc/95/17/91/406951791.db2.gz NOTMHDYVPVBIPA-UHFFFAOYSA-N 1 0 317.311 1.031 50 0 DDAARO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000076062135 406952736 /nfs/dbraw/zinc/95/27/36/406952736.db2.gz DNBZQDSVPVQYFM-LBPRGKRZSA-N 1 0 312.410 1.897 50 0 DDAARO C[NH+]1CCC(NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000078422973 407027403 /nfs/dbraw/zinc/02/74/03/407027403.db2.gz GJYAGSZEAMMXPU-UHFFFAOYSA-N 1 0 315.417 1.633 50 0 DDAARO CC(C)N(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966622 407051453 /nfs/dbraw/zinc/05/14/53/407051453.db2.gz FLAVZZZIQPDULB-UHFFFAOYSA-N 1 0 321.396 1.498 50 0 DDAARO Cc1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)on1 ZINC000044952852 407034771 /nfs/dbraw/zinc/03/47/71/407034771.db2.gz IUGADSMETLQGSF-UHFFFAOYSA-N 1 0 315.377 1.060 50 0 DDAARO CN(Cc1nc2ccccc2s1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077484846 406992663 /nfs/dbraw/zinc/99/26/63/406992663.db2.gz OCQAHRYVAAJSKQ-UHFFFAOYSA-N 1 0 316.390 1.119 50 0 DDAARO COc1ccc(-c2noc(CN3CC[NH2+]CC3)n2)cc1OC ZINC000045795894 407049873 /nfs/dbraw/zinc/04/98/73/407049873.db2.gz XNSZCJRIEOLYLC-UHFFFAOYSA-N 1 0 304.350 1.159 50 0 DDAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC(N)=O)C1 ZINC000084686336 407093237 /nfs/dbraw/zinc/09/32/37/407093237.db2.gz REWYKHYMDBXQEQ-OKILXGFUSA-N 1 0 317.433 1.656 50 0 DDAARO Cc1ccoc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048330431 407094847 /nfs/dbraw/zinc/09/48/47/407094847.db2.gz NLDGLAXLYMZDLY-UHFFFAOYSA-N 1 0 314.389 1.665 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000089414380 407133552 /nfs/dbraw/zinc/13/35/52/407133552.db2.gz OJROQPQWNFONNI-UHFFFAOYSA-N 1 0 324.396 1.923 50 0 DDAARO CC[NH+]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000051122187 407136493 /nfs/dbraw/zinc/13/64/93/407136493.db2.gz DAXYDOLVPUBBKE-UHFFFAOYSA-N 1 0 301.434 1.815 50 0 DDAARO Cc1n[nH]cc1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000089534589 407139235 /nfs/dbraw/zinc/13/92/35/407139235.db2.gz IVWKTUDWZDTSCG-GFCCVEGCSA-N 1 0 317.315 1.381 50 0 DDAARO CC(C)(C[NH2+]Cc1cccnc1-n1cccn1)S(C)(=O)=O ZINC000089761802 407147078 /nfs/dbraw/zinc/14/70/78/407147078.db2.gz ADXDMHSRXVDRTM-UHFFFAOYSA-N 1 0 308.407 1.180 50 0 DDAARO Cc1ccc(-n2nnnc2NCCCC[NH+]2CCOCC2)cc1 ZINC000054059967 407177605 /nfs/dbraw/zinc/17/76/05/407177605.db2.gz FWJFYZUFTADVJP-UHFFFAOYSA-N 1 0 316.409 1.495 50 0 DDAARO COCC[NH+](CCOC)Cc1cc(=O)oc2cc(C)c(O)cc12 ZINC000054105861 407178249 /nfs/dbraw/zinc/17/82/49/407178249.db2.gz XMKSORJWTDSFQI-UHFFFAOYSA-N 1 0 321.373 1.902 50 0 DDAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](Cc1ncc[nH]1)C2 ZINC000091738097 407183700 /nfs/dbraw/zinc/18/37/00/407183700.db2.gz BXVIMMRRSRFJPD-QGZVFWFLSA-N 1 0 318.421 1.403 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000054551855 407187107 /nfs/dbraw/zinc/18/71/07/407187107.db2.gz PSGOCQZTWTYKFH-UHFFFAOYSA-N 1 0 308.389 1.686 50 0 DDAARO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1C ZINC000096404229 407259669 /nfs/dbraw/zinc/25/96/69/407259669.db2.gz VZNVNLYSDPJVPP-UHFFFAOYSA-N 1 0 312.435 1.055 50 0 DDAARO Cc1nnc(SCC(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)s1 ZINC000055392942 407203293 /nfs/dbraw/zinc/20/32/93/407203293.db2.gz MRFOMDTWZMMRHG-ZDUSSCGKSA-N 1 0 314.480 1.739 50 0 DDAARO CN(C(=O)COC1CCCC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096411748 407261467 /nfs/dbraw/zinc/26/14/67/407261467.db2.gz PEUDFLKDLBTDBT-OAHLLOKOSA-N 1 0 324.465 1.905 50 0 DDAARO O=C(Cc1cnn(-c2ccccc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000055672870 407205856 /nfs/dbraw/zinc/20/58/56/407205856.db2.gz DOUSUZFPUIKCIW-UHFFFAOYSA-N 1 0 324.428 1.969 50 0 DDAARO O=C(c1cccnn1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095364302 407209243 /nfs/dbraw/zinc/20/92/43/407209243.db2.gz DTVAATJZKOGOAX-HUUCEWRRSA-N 1 0 300.406 1.813 50 0 DDAARO Cn1c(=O)cc(C[N@H+](C)Cc2cccc(Cl)c2)n(C)c1=O ZINC000056671813 407210417 /nfs/dbraw/zinc/21/04/17/407210417.db2.gz FGONWAPHKDAUJG-UHFFFAOYSA-N 1 0 307.781 1.369 50 0 DDAARO Cn1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1=O ZINC000095955676 407217092 /nfs/dbraw/zinc/21/70/92/407217092.db2.gz CYYXNQQEGRJKKQ-OAHLLOKOSA-N 1 0 314.389 1.810 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)COc2cccc(F)c2)c(C)nn1C ZINC000058343024 407220890 /nfs/dbraw/zinc/22/08/90/407220890.db2.gz JKDQVYXSJLWVDI-ZDUSSCGKSA-N 1 0 323.368 1.406 50 0 DDAARO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000058418435 407221296 /nfs/dbraw/zinc/22/12/96/407221296.db2.gz CYLGVZGRHNCVJU-OAHLLOKOSA-N 1 0 316.449 1.899 50 0 DDAARO CCOC(=O)CCN1CCC([NH2+]C[C@](C)(CC)[C@H](C)O)CC1 ZINC000095986493 407221330 /nfs/dbraw/zinc/22/13/30/407221330.db2.gz OTQWNYDLXGUBQW-YOEHRIQHSA-N 1 0 314.470 1.791 50 0 DDAARO CC[C@@]([NH2+]CC(=O)NCc1cccc(C)c1)(C(N)=O)C(C)C ZINC000096006555 407222539 /nfs/dbraw/zinc/22/25/39/407222539.db2.gz JJQHOULZHUVRMT-KRWDZBQOSA-N 1 0 305.422 1.491 50 0 DDAARO Cc1cc(C)nc(SCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000060740093 407225875 /nfs/dbraw/zinc/22/58/75/407225875.db2.gz MZBUCAUZQRJDOM-KBPBESRZSA-N 1 0 320.462 1.929 50 0 DDAARO O=c1[nH]c2cncnc2n1[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000065256786 407241366 /nfs/dbraw/zinc/24/13/66/407241366.db2.gz DOYHJJCQYKJDOQ-SNVBAGLBSA-N 1 0 301.375 1.628 50 0 DDAARO CCn1ccnc1CN(C)c1cc(C)[nH+]c(N2CCOCC2)n1 ZINC000065397860 407243748 /nfs/dbraw/zinc/24/37/48/407243748.db2.gz DTASIDIRMWJZBD-UHFFFAOYSA-N 1 0 316.409 1.474 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccncc3)CC2)CCO1 ZINC000066396118 407250359 /nfs/dbraw/zinc/25/03/59/407250359.db2.gz KUIWKXMRVSHKHH-FAAWYNLUSA-N 1 0 315.417 1.807 50 0 DDAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CC2CCOCC2)C1 ZINC000096427721 407264959 /nfs/dbraw/zinc/26/49/59/407264959.db2.gz UGIYLUSUVSHWLG-CQSZACIVSA-N 1 0 318.483 1.454 50 0 DDAARO C[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(C)CC1 ZINC000067272306 407270559 /nfs/dbraw/zinc/27/05/59/407270559.db2.gz PMJNVGLYRJQOCM-KGLIPLIRSA-N 1 0 316.467 1.048 50 0 DDAARO CC(C)=CC[NH+]1CCC(NC(=O)N[C@](C)(CO)C2CC2)CC1 ZINC000096475248 407270584 /nfs/dbraw/zinc/27/05/84/407270584.db2.gz OXVUMFITEUNABF-QGZVFWFLSA-N 1 0 309.454 1.877 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000096481257 407270662 /nfs/dbraw/zinc/27/06/62/407270662.db2.gz BGZHYDZCRPZREY-UONOGXRCSA-N 1 0 312.410 1.806 50 0 DDAARO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)C1 ZINC000097016512 407275153 /nfs/dbraw/zinc/27/51/53/407275153.db2.gz AFSJGVAOWUURIO-AWEZNQCLSA-N 1 0 305.422 1.832 50 0 DDAARO [NH3+][C@H](CO)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067513640 407275692 /nfs/dbraw/zinc/27/56/92/407275692.db2.gz VLBDIJZFQLJFCN-GFCCVEGCSA-N 1 0 323.299 1.088 50 0 DDAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000067513777 407276145 /nfs/dbraw/zinc/27/61/45/407276145.db2.gz SDJIODFTDROTTM-QGZVFWFLSA-N 1 0 324.428 1.944 50 0 DDAARO Cn1c2cc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)ccc2oc1=O ZINC000067654330 407278819 /nfs/dbraw/zinc/27/88/19/407278819.db2.gz JLYARMFRYFWHHF-KRWDZBQOSA-N 1 0 315.373 1.347 50 0 DDAARO COC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C=CCCC2)CC1 ZINC000097084628 407279952 /nfs/dbraw/zinc/27/99/52/407279952.db2.gz GOPGOSBAJNVMMT-DZGCQCFKSA-N 1 0 308.422 1.875 50 0 DDAARO O=C(CCCc1cn[nH]c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097099072 407280240 /nfs/dbraw/zinc/28/02/40/407280240.db2.gz RAXCDBCMIRXEMM-UHFFFAOYSA-N 1 0 322.478 1.772 50 0 DDAARO CC(C)[N@@H+]1CCCN(C(=O)c2ccccc2-n2ccnn2)CC1 ZINC000097107290 407280273 /nfs/dbraw/zinc/28/02/73/407280273.db2.gz ZJFFVDLYDOKOAV-UHFFFAOYSA-N 1 0 313.405 1.824 50 0 DDAARO Cc1ccc2cc(C[NH+]3CCC(CC(N)=O)CC3)c(=O)[nH]c2c1 ZINC000067726185 407281259 /nfs/dbraw/zinc/28/12/59/407281259.db2.gz HMGHRANAKAKOQH-UHFFFAOYSA-N 1 0 313.401 1.924 50 0 DDAARO Cc1cccc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)c1O ZINC000067714713 407281496 /nfs/dbraw/zinc/28/14/96/407281496.db2.gz GRBVIRUPFHNWJG-UHFFFAOYSA-N 1 0 317.433 1.553 50 0 DDAARO COc1c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(C)nn1C ZINC000097139264 407282505 /nfs/dbraw/zinc/28/25/05/407282505.db2.gz ZBSUBKAPMRHOGB-AWEZNQCLSA-N 1 0 317.437 1.925 50 0 DDAARO CS(=O)(=O)NCC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067756508 407283360 /nfs/dbraw/zinc/28/33/60/407283360.db2.gz NTFAAIRIPBVHFU-CYBMUJFWSA-N 1 0 314.426 1.977 50 0 DDAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CO)C2)cc1C ZINC000067769513 407283463 /nfs/dbraw/zinc/28/34/63/407283463.db2.gz VAOWXHVZBFKVOQ-HNNXBMFYSA-N 1 0 306.406 1.324 50 0 DDAARO Cc1n[nH]cc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000097159402 407283898 /nfs/dbraw/zinc/28/38/98/407283898.db2.gz NMEFZPNAMGHZJW-UHFFFAOYSA-N 1 0 300.406 1.840 50 0 DDAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1nnc[nH]1 ZINC000067821247 407284914 /nfs/dbraw/zinc/28/49/14/407284914.db2.gz AKZPPHSHIPGLLT-GFCCVEGCSA-N 1 0 303.366 1.430 50 0 DDAARO C[NH+](C)[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1O ZINC000097217330 407288021 /nfs/dbraw/zinc/28/80/21/407288021.db2.gz QJQWLXAWBBCMAH-STQMWFEESA-N 1 0 304.312 1.692 50 0 DDAARO CCCN1C[C@H]([NH2+]C2CCN(Cc3cccnc3)CC2)CC1=O ZINC000067920972 407290570 /nfs/dbraw/zinc/29/05/70/407290570.db2.gz TYIBDIWGSWEMEW-QGZVFWFLSA-N 1 0 316.449 1.647 50 0 DDAARO Cn1cncc1C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067965640 407292102 /nfs/dbraw/zinc/29/21/02/407292102.db2.gz GNJLUSNHGVIUBC-LSDHHAIUSA-N 1 0 315.373 1.499 50 0 DDAARO CCc1ccc(C(=O)N2CC[N@H+](CC3CCC3)C[C@H](O)C2)[nH]1 ZINC000097394002 407293376 /nfs/dbraw/zinc/29/33/76/407293376.db2.gz JCFGOTIJCORYPD-HNNXBMFYSA-N 1 0 305.422 1.496 50 0 DDAARO [NH3+]C[C@@H]1CN(Cc2cnc(NCc3ccccc3)nc2)CCO1 ZINC000067974776 407293471 /nfs/dbraw/zinc/29/34/71/407293471.db2.gz BAOXXCYSVHOKDX-MRXNPFEDSA-N 1 0 313.405 1.248 50 0 DDAARO COCc1cc(C[N@@H+]2CCC[C@@](O)(CO)CC2)ccc1OC ZINC000097514344 407299463 /nfs/dbraw/zinc/29/94/63/407299463.db2.gz RWQPATWNUAEVJJ-KRWDZBQOSA-N 1 0 309.406 1.551 50 0 DDAARO COc1ccc(C[N@@H+]2CCCO[C@H](CN3CCOCC3)C2)cc1 ZINC000097635112 407300702 /nfs/dbraw/zinc/30/07/02/407300702.db2.gz WCZKXWBHNFZMHX-GOSISDBHSA-N 1 0 320.433 1.618 50 0 DDAARO Cc1noc([C@@H](C)N(C)C[C@@H](O)COCc2ccccc2)n1 ZINC000106871560 407363713 /nfs/dbraw/zinc/36/37/13/407363713.db2.gz AABHYPGZFSOOSJ-IUODEOHRSA-N 1 0 305.378 1.949 50 0 DDAARO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000108456244 407386152 /nfs/dbraw/zinc/38/61/52/407386152.db2.gz ADYZWCOGXLBVTI-UONOGXRCSA-N 1 0 303.472 1.427 50 0 DDAARO CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000254924872 407466136 /nfs/dbraw/zinc/46/61/36/407466136.db2.gz LYUWKZFQEZKBAH-HDZKGBJQSA-N 1 0 316.405 1.040 50 0 DDAARO O[C@@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCSC1 ZINC000195556446 407468996 /nfs/dbraw/zinc/46/89/96/407468996.db2.gz SHGCXERDCRXNHE-GFCCVEGCSA-N 1 0 312.401 1.861 50 0 DDAARO [NH3+][C@H]1CCN(Cc2ccccc2OCCCn2ccnc2)C1 ZINC000215022529 407481318 /nfs/dbraw/zinc/48/13/18/407481318.db2.gz DLIHMNOIYRVEKD-INIZCTEOSA-N 1 0 300.406 1.885 50 0 DDAARO COC[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1ccccn1 ZINC000257179956 407484590 /nfs/dbraw/zinc/48/45/90/407484590.db2.gz DBRILWQALPBRRW-LSDHHAIUSA-N 1 0 314.389 1.475 50 0 DDAARO COCCNC(=O)[C@@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257187738 407484994 /nfs/dbraw/zinc/48/49/94/407484994.db2.gz CEHORZLEVNLXMZ-QGZVFWFLSA-N 1 0 306.406 1.024 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000178541572 407488567 /nfs/dbraw/zinc/48/85/67/407488567.db2.gz IGOJZLOYKGVPSB-NVXWUHKLSA-N 1 0 319.424 1.987 50 0 DDAARO Cc1cccc([C@@H](NC(=O)CN(C)C2CC[NH2+]CC2)C2CC2)n1 ZINC000216344473 407494642 /nfs/dbraw/zinc/49/46/42/407494642.db2.gz TVUNJRHKBVXTET-SFHVURJKSA-N 1 0 316.449 1.641 50 0 DDAARO C[N@@H+](Cc1cc(F)ccc1-n1cccn1)C[C@@H]1COCCO1 ZINC000216351580 407495442 /nfs/dbraw/zinc/49/54/42/407495442.db2.gz PUNUYMWOMMVLOJ-OAHLLOKOSA-N 1 0 305.353 1.859 50 0 DDAARO CC(C)Oc1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1CO ZINC000216356386 407495702 /nfs/dbraw/zinc/49/57/02/407495702.db2.gz FBXIKOCRMJCXEL-MRXNPFEDSA-N 1 0 309.406 1.813 50 0 DDAARO CCn1nc(C)c(CC(=O)NCC[NH+]2CCC(C)CC2)c1C ZINC000253417783 407444723 /nfs/dbraw/zinc/44/47/23/407444723.db2.gz BWRFNXKGBFZEPE-UHFFFAOYSA-N 1 0 306.454 1.910 50 0 DDAARO CC(C)COc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000170595532 407444906 /nfs/dbraw/zinc/44/49/06/407444906.db2.gz MBBZHZAFQZHFGA-MRXNPFEDSA-N 1 0 322.409 1.305 50 0 DDAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(CCc2ccccc2)CC1 ZINC000253432176 407450218 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CCCCn1nc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1=O ZINC000078895753 353538904 /nfs/dbraw/zinc/53/89/04/353538904.db2.gz JXYQOZFVYIBLSG-TZMCWYRMSA-N 1 0 306.410 1.066 50 0 DDAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCc3ccccn3)C2)C1=O ZINC000084597372 353724448 /nfs/dbraw/zinc/72/44/48/353724448.db2.gz MGSGNGBQUOTCNA-INIZCTEOSA-N 1 0 302.378 1.029 50 0 DDAARO Cc1nnc2n1C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)CC2 ZINC000089740896 353778602 /nfs/dbraw/zinc/77/86/02/353778602.db2.gz WZEGMBUPRXMVRR-SWLSCSKDSA-N 1 0 304.369 1.611 50 0 DDAARO Nc1cc(N)[nH+]c(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000003510229 181028335 /nfs/dbraw/zinc/02/83/35/181028335.db2.gz HLRHIHMIZPEKIO-UHFFFAOYSA-N 1 0 307.354 1.189 50 0 DDAARO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000124870080 354042181 /nfs/dbraw/zinc/04/21/81/354042181.db2.gz JFQTUCFBSIDJBT-GJZGRUSLSA-N 1 0 315.421 1.920 50 0 DDAARO Cc1ccc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000195444551 354296182 /nfs/dbraw/zinc/29/61/82/354296182.db2.gz 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COCc1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077353537 191697787 /nfs/dbraw/zinc/69/77/87/191697787.db2.gz YKTIJBWVLLHYIB-KRWDZBQOSA-N 1 0 322.405 1.489 50 0 DDAARO Cc1nc(-c2cc(C(=O)N3CC[NH2+][C@H](C)C3)n(C)c2)cs1 ZINC000237649256 202317548 /nfs/dbraw/zinc/31/75/48/202317548.db2.gz VLVMVPKVLCGWIA-SNVBAGLBSA-N 1 0 304.419 1.891 50 0 DDAARO O[C@H](C[NH2+]Cc1ccccn1)COc1ccc2c(c1)OCO2 ZINC000006393683 181337456 /nfs/dbraw/zinc/33/74/56/181337456.db2.gz QAQWMKKOKBTDMR-CYBMUJFWSA-N 1 0 302.330 1.340 50 0 DDAARO Cc1ccc2c(c1)c(=O)ccn2Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244718818 202492402 /nfs/dbraw/zinc/49/24/02/202492402.db2.gz LRHCEYGBZVWJOG-BETUJISGSA-N 1 0 323.400 1.691 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)COC[C@H]1CCCCO1 ZINC000244858392 202503528 /nfs/dbraw/zinc/50/35/28/202503528.db2.gz VKGVFXWTMHSNRR-CQSZACIVSA-N 1 0 307.394 1.504 50 0 DDAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000006729124 181378295 /nfs/dbraw/zinc/37/82/95/181378295.db2.gz HRNYRLWRAYWSAK-UHFFFAOYSA-N 1 0 301.184 1.811 50 0 DDAARO Cc1cc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)nc(N)[nH+]1 ZINC000091724589 193096617 /nfs/dbraw/zinc/09/66/17/193096617.db2.gz XWGHYRCZIBPHHE-GFCCVEGCSA-N 1 0 303.410 1.595 50 0 DDAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091871841 193120788 /nfs/dbraw/zinc/12/07/88/193120788.db2.gz VNCDHTIWSGHZMQ-CYBMUJFWSA-N 1 0 317.364 1.897 50 0 DDAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@@H]1CO ZINC000091915465 193125636 /nfs/dbraw/zinc/12/56/36/193125636.db2.gz GYRXFKHHDDQPQE-CHWSQXEVSA-N 1 0 309.410 1.430 50 0 DDAARO O=C1N(CCO)CCC[C@]12CC[N@H+](CCCc1ccccc1)C2 ZINC000092037124 193144185 /nfs/dbraw/zinc/14/41/85/193144185.db2.gz NWBUMHWEKSPLBR-LJQANCHMSA-N 1 0 316.445 1.926 50 0 DDAARO Cc1cn2cc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)ccc2n1 ZINC000262394189 203281358 /nfs/dbraw/zinc/28/13/58/203281358.db2.gz YCPFNOPRHQIVDI-UHFFFAOYSA-N 1 0 324.388 1.557 50 0 DDAARO OCC[C@@H]1CN(Cc2ccon2)CC[N@@H+]1CCc1ccccc1 ZINC000019841749 182155547 /nfs/dbraw/zinc/15/55/47/182155547.db2.gz VBTADEDPMGWGJG-GOSISDBHSA-N 1 0 315.417 1.786 50 0 DDAARO Cc1cc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119624 182189045 /nfs/dbraw/zinc/18/90/45/182189045.db2.gz ADDIEMBJYCAYNU-ZDUSSCGKSA-N 1 0 305.426 1.007 50 0 DDAARO CCOc1ccc2nc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)sc2c1 ZINC000020434119 182217345 /nfs/dbraw/zinc/21/73/45/182217345.db2.gz NWZINKVMCQOTGV-GZMMTYOYSA-N 1 0 307.375 1.356 50 0 DDAARO Cc1csc2ncc(C(=O)NCC[NH+]3CCCCC3)c(=O)n12 ZINC000021652718 182282858 /nfs/dbraw/zinc/28/28/58/182282858.db2.gz CKXHBIVYVZIGCA-UHFFFAOYSA-N 1 0 320.418 1.280 50 0 DDAARO CC[NH+]1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000022030309 182305311 /nfs/dbraw/zinc/30/53/11/182305311.db2.gz KDBLSYDPJYQVRX-OAHLLOKOSA-N 1 0 312.841 1.855 50 0 DDAARO CC(=O)N[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000022696180 182331071 /nfs/dbraw/zinc/33/10/71/182331071.db2.gz LGJBPBMGQZLHRV-CYBMUJFWSA-N 1 0 303.406 1.423 50 0 DDAARO C[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000022999710 182344428 /nfs/dbraw/zinc/34/44/28/182344428.db2.gz WHUZGWXFVZAKRA-UHFFFAOYSA-N 1 0 302.827 1.960 50 0 DDAARO OC[C@@H](O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022802958 182336248 /nfs/dbraw/zinc/33/62/48/182336248.db2.gz YPIWHZVODOWNSP-AWEZNQCLSA-N 1 0 306.431 1.372 50 0 DDAARO O=c1cc(C[NH2+]C(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1 ZINC000032652242 182653185 /nfs/dbraw/zinc/65/31/85/182653185.db2.gz LJWRETXMTPBNMF-UHFFFAOYSA-N 1 0 307.353 1.942 50 0 DDAARO C[NH+](C)CC(C)(C)CNc1cn[nH]c(=O)c1Br ZINC000040040157 183029278 /nfs/dbraw/zinc/02/92/78/183029278.db2.gz OEUYOEBRVDMLSM-UHFFFAOYSA-N 1 0 303.204 1.532 50 0 DDAARO Cc1c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cnn1C ZINC000039550886 183020541 /nfs/dbraw/zinc/02/05/41/183020541.db2.gz VXXWGQOGBLMFIB-QGZVFWFLSA-N 1 0 306.454 1.540 50 0 DDAARO O=C(CN1CCC[N@H+](Cc2cccs2)CC1)N1CCOCC1 ZINC000040513782 183088134 /nfs/dbraw/zinc/08/81/34/183088134.db2.gz YTVPRLUABUMSFK-UHFFFAOYSA-N 1 0 323.462 1.115 50 0 DDAARO C[NH+]1CCN(C(C)(C)CNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000040522791 183091431 /nfs/dbraw/zinc/09/14/31/183091431.db2.gz NWIYNJYXCJKFQP-UHFFFAOYSA-N 1 0 321.490 1.993 50 0 DDAARO Cc1ccc(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000042542161 183283246 /nfs/dbraw/zinc/28/32/46/183283246.db2.gz BHJIMPKELDGGKG-UHFFFAOYSA-N 1 0 307.413 1.890 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000043095364 183337713 /nfs/dbraw/zinc/33/77/13/183337713.db2.gz LYTBDMPPPFTFAX-MNOVXSKESA-N 1 0 310.423 1.010 50 0 DDAARO c1ccc(C[NH+]2CCCC2)c(CNc2cncc3nnnn32)c1 ZINC000058167869 184083918 /nfs/dbraw/zinc/08/39/18/184083918.db2.gz QLVNXMMCJQSTHC-UHFFFAOYSA-N 1 0 309.377 1.727 50 0 DDAARO c1csc([C@@H](CNc2ccc3nnnn3n2)[NH+]2CCCC2)c1 ZINC000058263915 184095140 /nfs/dbraw/zinc/09/51/40/184095140.db2.gz UHTAOTVDSDCYAO-LLVKDONJSA-N 1 0 315.406 1.830 50 0 DDAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000058291889 184101586 /nfs/dbraw/zinc/10/15/86/184101586.db2.gz JWZDZMDHHPMWFR-ZDUSSCGKSA-N 1 0 313.401 1.988 50 0 DDAARO c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3ccccn3)CC1)CN2 ZINC000058304951 184102812 /nfs/dbraw/zinc/10/28/12/184102812.db2.gz SPGRVVOGMFZOJH-AWEZNQCLSA-N 1 0 312.421 1.578 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](CO)Cc1ccccc1)CN2 ZINC000058329508 184106260 /nfs/dbraw/zinc/10/62/60/184106260.db2.gz XLBCXJRCWRQPLY-DLBZAZTESA-N 1 0 314.433 1.674 50 0 DDAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000158012495 197234723 /nfs/dbraw/zinc/23/47/23/197234723.db2.gz XMJKTSJIKUZKEY-QMTHXVAHSA-N 1 0 320.368 1.213 50 0 DDAARO COc1ccc([C@@H](CNC(=O)[C@H](C)n2cncn2)[NH+](C)C)cc1 ZINC000065415390 184340561 /nfs/dbraw/zinc/34/05/61/184340561.db2.gz HONXRQPGBBYOFW-SWLSCSKDSA-N 1 0 317.393 1.267 50 0 DDAARO CC(=O)NCC1=C(C)C[N@H+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000065424757 184342841 /nfs/dbraw/zinc/34/28/41/184342841.db2.gz PZDSWRNQSXKVCC-ZDUSSCGKSA-N 1 0 307.438 1.592 50 0 DDAARO C[C@H](CNC(=O)N1CCC[C@@H](c2nncn2C)C1)[NH+]1CCCC1 ZINC000065436805 184344564 /nfs/dbraw/zinc/34/45/64/184344564.db2.gz AZFAHRAEOWDMPA-ZIAGYGMSSA-N 1 0 320.441 1.188 50 0 DDAARO C[N@@H+]1CCN2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2C1 ZINC000065528588 184360050 /nfs/dbraw/zinc/36/00/50/184360050.db2.gz YBWAEQCBGZHYCC-SFHVURJKSA-N 1 0 311.433 1.304 50 0 DDAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000065551739 184365078 /nfs/dbraw/zinc/36/50/78/184365078.db2.gz KUVYIMDBFLIDJZ-INIZCTEOSA-N 1 0 303.406 1.322 50 0 DDAARO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCN2CC[NH+](C)CC2)o1 ZINC000065592821 184370610 /nfs/dbraw/zinc/37/06/10/184370610.db2.gz WSWGPXSGMFJTPF-WQDDEOEWSA-N 1 0 317.433 1.780 50 0 DDAARO O=C(c1ccc(N2CCCC2)nc1)N1CC[NH+](CC2CC2)CC1 ZINC000065604438 184371346 /nfs/dbraw/zinc/37/13/46/184371346.db2.gz PYEQBOKCOUKHRX-UHFFFAOYSA-N 1 0 314.433 1.850 50 0 DDAARO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCS(N)(=O)=O)[C@@H]2C ZINC000359568366 257236155 /nfs/dbraw/zinc/23/61/55/257236155.db2.gz XTKOJKLRCCAKST-NWDGAFQWSA-N 1 0 312.435 1.681 50 0 DDAARO Cc1nc(-c2cccc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)c2)n[nH]1 ZINC000237455705 257239676 /nfs/dbraw/zinc/23/96/76/257239676.db2.gz LOFJWQSKOHMNNI-NHYWBVRUSA-N 1 0 313.405 1.980 50 0 DDAARO COc1cc(OC)nc([C@H](c2ccccc2)N2CC[NH2+]CC2)n1 ZINC000019735119 286244489 /nfs/dbraw/zinc/24/44/89/286244489.db2.gz BGJADJLMAYMTRR-INIZCTEOSA-N 1 0 314.389 1.488 50 0 DDAARO CC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000422364 406648855 /nfs/dbraw/zinc/64/88/55/406648855.db2.gz ARGWISYOTDNSDD-UHFFFAOYSA-N 1 0 317.374 1.574 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000069372408 406703085 /nfs/dbraw/zinc/70/30/85/406703085.db2.gz VWVQGXOJNIILAT-UONOGXRCSA-N 1 0 316.405 1.747 50 0 DDAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC(=O)N1 ZINC000068931845 406671933 /nfs/dbraw/zinc/67/19/33/406671933.db2.gz GLSOEJVTJCMDBG-HNNXBMFYSA-N 1 0 301.390 1.177 50 0 DDAARO O=C(Cn1ccc2ccccc2c1=O)NCCC[NH+]1CCCC1 ZINC000002455924 406687373 /nfs/dbraw/zinc/68/73/73/406687373.db2.gz KBBUABHAMKCXAD-UHFFFAOYSA-N 1 0 313.401 1.604 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000069571689 406736782 /nfs/dbraw/zinc/73/67/82/406736782.db2.gz ZDMCRKOUWVKUBT-INIZCTEOSA-N 1 0 313.405 1.658 50 0 DDAARO Cc1ccc(C(=O)OC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000069774211 406771419 /nfs/dbraw/zinc/77/14/19/406771419.db2.gz IJEBPFBPJWCTDU-UHFFFAOYSA-N 1 0 304.390 1.704 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)COc2cccnc2)CC1 ZINC000069696952 406756513 /nfs/dbraw/zinc/75/65/13/406756513.db2.gz RDYCIHSRJBJUEY-OAHLLOKOSA-N 1 0 321.421 1.012 50 0 DDAARO Cc1nc(C(=O)NCCC[NH+](C)C)nn1-c1ccccc1Cl ZINC000069820371 406777924 /nfs/dbraw/zinc/77/79/24/406777924.db2.gz QEVUHBIUFNACGS-UHFFFAOYSA-N 1 0 321.812 1.911 50 0 DDAARO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069814913 406775510 /nfs/dbraw/zinc/77/55/10/406775510.db2.gz QXUCZSHZWZOIQQ-VXGBXAGGSA-N 1 0 315.414 1.392 50 0 DDAARO C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)C[NH+]1CCCC1 ZINC000069896703 406788028 /nfs/dbraw/zinc/78/80/28/406788028.db2.gz JDTKSKRRPQEXDW-ZDUSSCGKSA-N 1 0 314.393 1.124 50 0 DDAARO Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)n1 ZINC000069947957 406793136 /nfs/dbraw/zinc/79/31/36/406793136.db2.gz IPKYOFPUPHTVCG-OAHLLOKOSA-N 1 0 305.422 1.555 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000009183883 406803140 /nfs/dbraw/zinc/80/31/40/406803140.db2.gz JLYOGJKZEPOUNS-UHFFFAOYSA-N 1 0 310.785 1.276 50 0 DDAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000010384133 406822266 /nfs/dbraw/zinc/82/22/66/406822266.db2.gz FRKAPDKZESAWLZ-CABCVRRESA-N 1 0 307.390 1.701 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cccs2)CC1 ZINC000012486329 406846496 /nfs/dbraw/zinc/84/64/96/406846496.db2.gz BJFGQYLWAHKQTA-UHFFFAOYSA-N 1 0 314.418 1.747 50 0 DDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccco2)CC1 ZINC000071822717 406847895 /nfs/dbraw/zinc/84/78/95/406847895.db2.gz MIBUDQDPLSCDFZ-CQSZACIVSA-N 1 0 308.426 1.352 50 0 DDAARO C[C@H](CNC(=O)c1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000071867426 406855983 /nfs/dbraw/zinc/85/59/83/406855983.db2.gz GJTPAFKYIKBJFU-LLVKDONJSA-N 1 0 313.804 1.845 50 0 DDAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000071878640 406859528 /nfs/dbraw/zinc/85/95/28/406859528.db2.gz AHWWVVQCYHAQKQ-JYJNAYRXSA-N 1 0 320.437 1.340 50 0 DDAARO Cn1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000071883937 406861624 /nfs/dbraw/zinc/86/16/24/406861624.db2.gz NLPFEJHZZUWZAZ-ZDUSSCGKSA-N 1 0 305.357 1.984 50 0 DDAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000014238219 406874086 /nfs/dbraw/zinc/87/40/86/406874086.db2.gz JNCMDOYJWRSZJU-AWEZNQCLSA-N 1 0 323.389 1.707 50 0 DDAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CCO[C@H](C[NH3+])C1 ZINC000072166646 406875091 /nfs/dbraw/zinc/87/50/91/406875091.db2.gz MBRVZZGWYLUZOO-GFCCVEGCSA-N 1 0 316.409 1.185 50 0 DDAARO O=C(Cc1ccccc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269214 406876726 /nfs/dbraw/zinc/87/67/26/406876726.db2.gz PLGVRNMADRKNLL-CVEARBPZSA-N 1 0 306.381 1.426 50 0 DDAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014754294 406877363 /nfs/dbraw/zinc/87/73/63/406877363.db2.gz RRCSYWUVOQGSKE-UHFFFAOYSA-N 1 0 316.405 1.719 50 0 DDAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]C1CCC1 ZINC000014959424 406877793 /nfs/dbraw/zinc/87/77/93/406877793.db2.gz FJAMXFPZIMNZDQ-KRWDZBQOSA-N 1 0 324.371 1.960 50 0 DDAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CC3CC3)C2=O)n1 ZINC000015075184 406878995 /nfs/dbraw/zinc/87/89/95/406878995.db2.gz HKFUPVVUKLJPQK-KRWDZBQOSA-N 1 0 303.406 1.243 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccncc2)[C@@H](C)C1 ZINC000072300651 406880913 /nfs/dbraw/zinc/88/09/13/406880913.db2.gz WLZZYXYOCXPUFV-ZFWWWQNUSA-N 1 0 311.451 1.620 50 0 DDAARO O=c1[nH]c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000018266825 406885290 /nfs/dbraw/zinc/88/52/90/406885290.db2.gz TVYWROWCLGFPFH-UHFFFAOYSA-N 1 0 324.428 1.971 50 0 DDAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000033829652 406962934 /nfs/dbraw/zinc/96/29/34/406962934.db2.gz DFWPRNUWNYAGJU-UHFFFAOYSA-N 1 0 320.842 1.969 50 0 DDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2n[nH]nc2c1 ZINC000044896843 407031825 /nfs/dbraw/zinc/03/18/25/407031825.db2.gz LHKCUDHPKBLCPE-HNNXBMFYSA-N 1 0 321.384 1.962 50 0 DDAARO Cc1ccc(C)c(N2N=C(C(=O)NCC[NH+](C)C)CCC2=O)c1 ZINC000045164790 407040394 /nfs/dbraw/zinc/04/03/94/407040394.db2.gz WFLCWRUEVPLUEB-UHFFFAOYSA-N 1 0 316.405 1.464 50 0 DDAARO Cn1ccnc1-c1nccn1CCCOC1CC[NH+](C)CC1 ZINC000077553718 406996516 /nfs/dbraw/zinc/99/65/16/406996516.db2.gz GLGLYKZHBJZBRI-UHFFFAOYSA-N 1 0 303.410 1.785 50 0 DDAARO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccnc2)C1(C)C ZINC000084800696 407094374 /nfs/dbraw/zinc/09/43/74/407094374.db2.gz OQOHIHOGMSFCCE-GJZGRUSLSA-N 1 0 305.422 1.833 50 0 DDAARO C[C@@H]1C[NH+](CCCNC(=O)c2[nH]nc3ccccc32)C[C@@H](C)O1 ZINC000047434200 407073646 /nfs/dbraw/zinc/07/36/46/407073646.db2.gz DXZIROOHHJSFLY-CHWSQXEVSA-N 1 0 316.405 1.792 50 0 DDAARO O=C(c1cccc2[nH]ncc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000089774364 407147816 /nfs/dbraw/zinc/14/78/16/407147816.db2.gz BHYAZPHUFOWNIK-HOTGVXAUSA-N 1 0 314.389 1.234 50 0 DDAARO O=C(NC1CC1)C1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000089819096 407151716 /nfs/dbraw/zinc/15/17/16/407151716.db2.gz JFMPKGOZTMIALN-CQSZACIVSA-N 1 0 319.449 1.380 50 0 DDAARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 ZINC000055079258 407194253 /nfs/dbraw/zinc/19/42/53/407194253.db2.gz VVCQPALVUPFVFU-SOFGYWHQSA-N 1 0 304.390 1.881 50 0 DDAARO Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc(N)[nH+]1 ZINC000054124860 407179123 /nfs/dbraw/zinc/17/91/23/407179123.db2.gz JZGMOLSVRUEXRK-UHFFFAOYSA-N 1 0 317.418 1.781 50 0 DDAARO CCN(CCOc1ccccc1C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055196151 407197368 /nfs/dbraw/zinc/19/73/68/407197368.db2.gz HRPLFUBRIWAPCZ-HNNXBMFYSA-N 1 0 306.406 1.601 50 0 DDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncnc3[nH]ccc31)C2 ZINC000095387083 407213415 /nfs/dbraw/zinc/21/34/15/407213415.db2.gz MZWPSIAUKGFKLI-CHWSQXEVSA-N 1 0 301.394 1.505 50 0 DDAARO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000057555076 407216498 /nfs/dbraw/zinc/21/64/98/407216498.db2.gz ANJSUUQJTATAKW-ANQUJSFKSA-N 1 0 323.481 1.473 50 0 DDAARO Cc1cc(Cl)cc(C)c1C[NH2+]CCCNS(C)(=O)=O ZINC000095975526 407219221 /nfs/dbraw/zinc/21/92/21/407219221.db2.gz LJWFORDCCYGFMB-UHFFFAOYSA-N 1 0 304.843 1.986 50 0 DDAARO c1coc([C@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 ZINC000058328238 407220075 /nfs/dbraw/zinc/22/00/75/407220075.db2.gz FPUKLTTYLMQXHK-CABCVRRESA-N 1 0 315.421 1.945 50 0 DDAARO Cc1cccc(C)c1OCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058333256 407220267 /nfs/dbraw/zinc/22/02/67/407220267.db2.gz RVHABHYLPBBBTC-HZPDHXFCSA-N 1 0 318.417 1.662 50 0 DDAARO CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356151 407220877 /nfs/dbraw/zinc/22/08/77/407220877.db2.gz UTTOJRAVZULPKR-IAGOWNOFSA-N 1 0 313.449 1.687 50 0 DDAARO CCC[NH+]1CCN(c2nccc(-n3nc(C)cc3C)n2)CC1 ZINC000096101967 407236907 /nfs/dbraw/zinc/23/69/07/407236907.db2.gz WEKBTENDSSATAO-UHFFFAOYSA-N 1 0 300.410 1.811 50 0 DDAARO COc1ccc(C2=NO[C@](C)(C(=O)NCCC[NH+](C)C)C2)cc1 ZINC000096192792 407246633 /nfs/dbraw/zinc/24/66/33/407246633.db2.gz LUPSRLKXWMLEEH-KRWDZBQOSA-N 1 0 319.405 1.646 50 0 DDAARO c1nc(N2CCOCC2)cc(N2CC[NH+](CC3CCC3)CC2)n1 ZINC000096441451 407266571 /nfs/dbraw/zinc/26/65/71/407266571.db2.gz ZNNCLDCWLSNOQH-UHFFFAOYSA-N 1 0 317.437 1.235 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC(=O)N1CCOCC1)CC2 ZINC000096493968 407272177 /nfs/dbraw/zinc/27/21/77/407272177.db2.gz WTRHOBGCCXBVTC-HNNXBMFYSA-N 1 0 304.390 1.001 50 0 DDAARO CN1CC[N@H+](Cc2ccccc2C(=O)[O-])CC12CC[NH+](C)CC2 ZINC000067587613 407276995 /nfs/dbraw/zinc/27/69/95/407276995.db2.gz YJEFLPYPJFSIBH-UHFFFAOYSA-N 1 0 317.433 1.597 50 0 DDAARO Cc1cc2c(cc1CN1CCN([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000097137643 407281928 /nfs/dbraw/zinc/28/19/28/407281928.db2.gz VQSREYSTNYNRGL-INIZCTEOSA-N 1 0 317.433 1.246 50 0 DDAARO CCCc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cs1 ZINC000067843263 407287286 /nfs/dbraw/zinc/28/72/86/407287286.db2.gz BVWJVVIUBUAXFG-JSGCOSHPSA-N 1 0 323.462 1.767 50 0 DDAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 ZINC000097234941 407289341 /nfs/dbraw/zinc/28/93/41/407289341.db2.gz DNMVTINMYYJXMC-UHFFFAOYSA-N 1 0 302.465 1.985 50 0 DDAARO C[C@@]1(O)CC[N@@H+](C2CCN(c3ccc(F)cc3)CC2)C[C@@H]1O ZINC000097272413 407290247 /nfs/dbraw/zinc/29/02/47/407290247.db2.gz FWAHQQGMENRONT-DLBZAZTESA-N 1 0 308.397 1.612 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000097436962 407293716 /nfs/dbraw/zinc/29/37/16/407293716.db2.gz BATWWBBJLBCTQV-CYBMUJFWSA-N 1 0 316.323 1.956 50 0 DDAARO C/C=C(\C)C[N@@H+]1CCN(c2ncnc3[nH]ccc32)C[C@H](O)C1 ZINC000097475673 407298570 /nfs/dbraw/zinc/29/85/70/407298570.db2.gz MHAZMHCRNOJTOF-ACDNVWSCSA-N 1 0 301.394 1.407 50 0 DDAARO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)noc2C)C1 ZINC000108184025 407382410 /nfs/dbraw/zinc/38/24/10/407382410.db2.gz DRYIDVJYLYJBMD-BXUZGUMPSA-N 1 0 309.410 1.655 50 0 DDAARO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CN1C ZINC000110704640 407399559 /nfs/dbraw/zinc/39/95/59/407399559.db2.gz XZZBGJNNIZOVPK-LAVFITLUSA-N 1 0 303.450 1.304 50 0 DDAARO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCCn3ncnc32)CC1 ZINC000195551338 407464107 /nfs/dbraw/zinc/46/41/07/407464107.db2.gz FTPFOVIJYCZAJV-AWEZNQCLSA-N 1 0 321.425 1.960 50 0 DDAARO Cn1c2ccc(F)cc2nc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000170681302 407473828 /nfs/dbraw/zinc/47/38/28/407473828.db2.gz YUJGCTAJDFBJQN-JTQLQIEISA-N 1 0 308.382 1.746 50 0 DDAARO COCC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000215112624 407481638 /nfs/dbraw/zinc/48/16/38/407481638.db2.gz JNXIPYLCHPCPAM-OAHLLOKOSA-N 1 0 306.406 1.942 50 0 DDAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(=O)c3ccccc3[nH]1)C2 ZINC000215396403 407484308 /nfs/dbraw/zinc/48/43/08/407484308.db2.gz FBXAZDXGTSLSOU-STQMWFEESA-N 1 0 311.385 1.694 50 0 DDAARO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)ccc1OCC(N)=O ZINC000215452780 407484655 /nfs/dbraw/zinc/48/46/55/407484655.db2.gz KNRHCEKFZKRLDM-LBPRGKRZSA-N 1 0 308.378 1.170 50 0 DDAARO COc1cccc(CCC(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c1 ZINC000257190268 407487174 /nfs/dbraw/zinc/48/71/74/407487174.db2.gz LWRQBVDWNBTHLM-GOEBONIOSA-N 1 0 306.406 1.009 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000178541192 407487569 /nfs/dbraw/zinc/48/75/69/407487569.db2.gz KYFAGROBTQEZHC-ZDUSSCGKSA-N 1 0 306.381 1.681 50 0 DDAARO CN(CCO)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000215603381 407487644 /nfs/dbraw/zinc/48/76/44/407487644.db2.gz SKFLQRMMMNPFIX-INIZCTEOSA-N 1 0 319.449 1.671 50 0 DDAARO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C[N@H+](C)C(C)C ZINC000170600382 407449409 /nfs/dbraw/zinc/44/94/09/407449409.db2.gz DSVSLZULWYXILO-UHFFFAOYSA-N 1 0 323.412 1.631 50 0 DDAARO CN(CC[N@H+](C)C1CC1)C(=O)CCCNC(=O)c1ccccc1 ZINC000170598373 407449547 /nfs/dbraw/zinc/44/95/47/407449547.db2.gz PMGFZOVNBLADQD-UHFFFAOYSA-N 1 0 317.433 1.749 50 0 DDAARO C[NH2+]CC1CCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000152243294 407591493 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CC(C)(O)C[NH+]1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC000069951613 406795832 /nfs/dbraw/zinc/79/58/32/406795832.db2.gz CCFBZCOIDBLXOA-UHFFFAOYSA-N 1 0 320.433 1.761 50 0 DDAARO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@H](C)n1cccn1 ZINC000069969850 406799006 /nfs/dbraw/zinc/79/90/06/406799006.db2.gz PPOAZKUPBPNXTK-STQMWFEESA-N 1 0 302.378 1.487 50 0 DDAARO Clc1cccc(-n2ncc3c2ncnc3N2CC[NH2+]CC2)c1 ZINC000011568664 406829524 /nfs/dbraw/zinc/82/95/24/406829524.db2.gz SKKJWARYNBKGKS-UHFFFAOYSA-N 1 0 314.780 1.879 50 0 DDAARO C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012525009 406846172 /nfs/dbraw/zinc/84/61/72/406846172.db2.gz TVGULLINNCHXAV-QWHCGFSZSA-N 1 0 318.421 1.277 50 0 DDAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccco1 ZINC000071836558 406849579 /nfs/dbraw/zinc/84/95/79/406849579.db2.gz CTVBBBBSRUHQHU-ZDUSSCGKSA-N 1 0 303.362 1.781 50 0 DDAARO Clc1nc2sccn2c1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000071877270 406859795 /nfs/dbraw/zinc/85/97/95/406859795.db2.gz 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305.403 1.778 50 0 DDAARO Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(=O)[nH]1 ZINC000075117966 406922969 /nfs/dbraw/zinc/92/29/69/406922969.db2.gz OGXHFVXJSKZDHJ-HUUCEWRRSA-N 1 0 318.421 1.418 50 0 DDAARO CN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000075133146 406924059 /nfs/dbraw/zinc/92/40/59/406924059.db2.gz VMOMKYNUJPDTCI-MRXNPFEDSA-N 1 0 323.412 1.047 50 0 DDAARO Cn1cc([C@@H](CNS(=O)(=O)C2CC2)[NH+](C)C)c2ccccc21 ZINC000075149227 406925227 /nfs/dbraw/zinc/92/52/27/406925227.db2.gz SOTJIRZVZUZANZ-MRXNPFEDSA-N 1 0 321.446 1.863 50 0 DDAARO C[N@@H+]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000032716596 406951631 /nfs/dbraw/zinc/95/16/31/406951631.db2.gz IBWPJDOHJHYZEX-UHFFFAOYSA-N 1 0 309.454 1.435 50 0 DDAARO OCC[NH+]1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000042122033 407011492 /nfs/dbraw/zinc/01/14/92/407011492.db2.gz VUAYDZWIOWCQPP-UHFFFAOYSA-N 1 0 305.809 1.998 50 0 DDAARO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000044937596 407033838 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O=C(NCc1ccc(F)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085466804 407101934 /nfs/dbraw/zinc/10/19/34/407101934.db2.gz MNGFGYXFSCZBMY-INIZCTEOSA-N 1 0 321.396 1.424 50 0 DDAARO C[NH+](C)C[C@H]1COCCN1C(=O)c1nc2ccccc2s1 ZINC000085470123 407102948 /nfs/dbraw/zinc/10/29/48/407102948.db2.gz YDCHZYINMMXOON-NSHDSACASA-N 1 0 305.403 1.699 50 0 DDAARO C[N@H+](CCc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786974 407104831 /nfs/dbraw/zinc/10/48/31/407104831.db2.gz JTAYHVBUHJQWPB-INIZCTEOSA-N 1 0 310.463 1.833 50 0 DDAARO CCn1cnnc1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000049208276 407117260 /nfs/dbraw/zinc/11/72/60/407117260.db2.gz LSBNCZURDRQLHJ-ZIAGYGMSSA-N 1 0 322.457 1.465 50 0 DDAARO C[C@H]1C[NH+](CCCNC(=O)c2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000047434199 407073774 /nfs/dbraw/zinc/07/37/74/407073774.db2.gz DXZIROOHHJSFLY-STQMWFEESA-N 1 0 316.405 1.792 50 0 DDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCO1 ZINC000047579766 407076111 /nfs/dbraw/zinc/07/61/11/407076111.db2.gz 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CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 ZINC000096008608 407223310 /nfs/dbraw/zinc/22/33/10/407223310.db2.gz IVVXVLKOYNIAGG-ZFWWWQNUSA-N 1 0 312.435 1.944 50 0 DDAARO CN(C)c1cccc(NC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000096141757 407240875 /nfs/dbraw/zinc/24/08/75/407240875.db2.gz SKYUYUXKMCBQDG-CQSZACIVSA-N 1 0 320.437 1.578 50 0 DDAARO CN1C(=O)C[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000096181158 407243522 /nfs/dbraw/zinc/24/35/22/407243522.db2.gz BBPACNFCPSVLKF-SMDDNHRTSA-N 1 0 309.435 1.335 50 0 DDAARO CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000096428257 407264615 /nfs/dbraw/zinc/26/46/15/407264615.db2.gz RXXFJJSXECQMJH-DGCLKSJQSA-N 1 0 317.480 1.527 50 0 DDAARO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CCSCC1 ZINC000096441010 407266817 /nfs/dbraw/zinc/26/68/17/407266817.db2.gz JJJOCNBERPAFJB-ZDUSSCGKSA-N 1 0 300.468 1.624 50 0 DDAARO CCc1nc(N)sc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000067563085 407276606 /nfs/dbraw/zinc/27/66/06/407276606.db2.gz 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C[NH+](C)CC1(CO)CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000215771365 407492060 /nfs/dbraw/zinc/49/20/60/407492060.db2.gz XSYVWZJAEKBFAW-UHFFFAOYSA-N 1 0 308.470 1.843 50 0 DDAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 ZINC000215994750 407492715 /nfs/dbraw/zinc/49/27/15/407492715.db2.gz ZUGXMXBUBXODEE-LLVKDONJSA-N 1 0 306.410 1.282 50 0 DDAARO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C1CCCCCCC1 ZINC000253419131 407445451 /nfs/dbraw/zinc/44/54/51/407445451.db2.gz IZCAXCGIRWWGAL-UHFFFAOYSA-N 1 0 314.455 1.740 50 0 DDAARO Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]([NH3+])C(C)C)cn2)n1 ZINC000170599505 407448085 /nfs/dbraw/zinc/44/80/85/407448085.db2.gz NKUNBOMJUHDODQ-OAHLLOKOSA-N 1 0 301.394 1.484 50 0 DDAARO CC(=O)N1CC[C@@H]([NH2+]CC2(C)OCCO2)c2ccc(F)cc2C1 ZINC000170597559 407449168 /nfs/dbraw/zinc/44/91/68/407449168.db2.gz FKCNNINIUYXWSP-MRXNPFEDSA-N 1 0 322.380 1.972 50 0 DDAARO O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@H]1CCC[NH2+]1 ZINC000225485140 407589116 /nfs/dbraw/zinc/58/91/16/407589116.db2.gz 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/nfs/dbraw/zinc/30/36/46/408303646.db2.gz NOUJNXDYNWCAIT-AYRXBEOTSA-N 1 0 303.406 1.435 50 0 DDAARO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2cncn2)CC1 ZINC000246837907 408351711 /nfs/dbraw/zinc/35/17/11/408351711.db2.gz STVFVWMALGAGOO-YUELXQCFSA-N 1 0 303.410 1.362 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000158955755 408373480 /nfs/dbraw/zinc/37/34/80/408373480.db2.gz ZAPODYIEMLFCFS-LLVKDONJSA-N 1 0 302.353 1.841 50 0 DDAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247754512 408508305 /nfs/dbraw/zinc/50/83/05/408508305.db2.gz YKAGEHJEECGGRX-LSDHHAIUSA-N 1 0 321.446 1.987 50 0 DDAARO COc1cc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000184088719 408546902 /nfs/dbraw/zinc/54/69/02/408546902.db2.gz LVVGREDQPFEEKP-AWEZNQCLSA-N 1 0 305.426 1.092 50 0 DDAARO CC[C@H](C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)[NH+](C)C ZINC000252487002 408798111 /nfs/dbraw/zinc/79/81/11/408798111.db2.gz RDXQYJFPTBPYJX-UXLLHSPISA-N 1 0 317.433 1.662 50 0 DDAARO C[C@@H](c1nnnn1C1CCCCC1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000252572569 408804799 /nfs/dbraw/zinc/80/47/99/408804799.db2.gz ZKSASEAYAOFYIA-KBPBESRZSA-N 1 0 322.457 1.238 50 0 DDAARO NC(=O)NC(=O)CCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000195180020 163310176 /nfs/dbraw/zinc/31/01/76/163310176.db2.gz XFWUQZOCELTKLH-UHFFFAOYSA-N 1 0 304.394 1.174 50 0 DDAARO Cc1cc2ncc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)c(C)n2n1 ZINC000329220783 410174280 /nfs/dbraw/zinc/17/42/80/410174280.db2.gz BNZWHTGRAAYDHY-HNNXBMFYSA-N 1 0 313.405 1.512 50 0 DDAARO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH2+]C2 ZINC000299779128 410620126 /nfs/dbraw/zinc/62/01/26/410620126.db2.gz PXMLTJFIYXNUMP-UHFFFAOYSA-N 1 0 313.405 1.510 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N[C@@H]1CCCCNC1=O ZINC000046054676 418444152 /nfs/dbraw/zinc/44/41/52/418444152.db2.gz CLDMZAGCHQLNIO-ZNMIVQPWSA-N 1 0 307.438 1.426 50 0 DDAARO NC(=O)[C@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000048042510 418463455 /nfs/dbraw/zinc/46/34/55/418463455.db2.gz 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ZINC000379426138 418726864 /nfs/dbraw/zinc/72/68/64/418726864.db2.gz CTGNPJXLAVMQKB-UHFFFAOYSA-N 1 0 315.377 1.698 50 0 DDAARO COC(=O)C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)CCO1 ZINC000408514983 418806368 /nfs/dbraw/zinc/80/63/68/418806368.db2.gz SFKMZGGEFBKYHH-MRXNPFEDSA-N 1 0 306.406 1.382 50 0 DDAARO Cc1csc(CN2CCC(NC(=O)N3CCOCC3)CC2)n1 ZINC000408525528 418808858 /nfs/dbraw/zinc/80/88/58/418808858.db2.gz RIWZCAHXWNTBQV-UHFFFAOYSA-N 1 0 324.450 1.458 50 0 DDAARO NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426465290 419476322 /nfs/dbraw/zinc/47/63/22/419476322.db2.gz QYEAUMOSJKEPCS-SFHVURJKSA-N 1 0 321.465 1.757 50 0 DDAARO COc1cc(C(=O)NC[C@@H]2CCCOC2)ccc1OCC[NH3+] ZINC000426490016 419485494 /nfs/dbraw/zinc/48/54/94/419485494.db2.gz HTNGPKSUNZAPQA-LBPRGKRZSA-N 1 0 308.378 1.189 50 0 DDAARO Cc1n[nH]c(C)c1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000426490539 419487564 /nfs/dbraw/zinc/48/75/64/419487564.db2.gz LBSXTBDKSLWNLW-KBPBESRZSA-N 1 0 305.426 1.652 50 0 DDAARO Cc1cc(=O)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)[nH]1 ZINC000426497516 419492043 /nfs/dbraw/zinc/49/20/43/419492043.db2.gz XDLCOIOKTZQCGC-AWEZNQCLSA-N 1 0 303.406 1.692 50 0 DDAARO O=C1N(CCCc2ccccc2)CCC[C@]12CC[N@@H+](CCO)C2 ZINC000426368271 419449168 /nfs/dbraw/zinc/44/91/68/419449168.db2.gz JWIRXRUPSIONKO-LJQANCHMSA-N 1 0 316.445 1.926 50 0 DDAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1ncc(Cl)cn1 ZINC000426392790 419455703 /nfs/dbraw/zinc/45/57/03/419455703.db2.gz KPRLJOLYUVRUTP-UHFFFAOYSA-N 1 0 324.743 1.537 50 0 DDAARO Cc1c(-c2ccccc2)n[nH]c1C(=O)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000426406046 419459697 /nfs/dbraw/zinc/45/96/97/419459697.db2.gz HRKMQTPAGZXSGG-KBPBESRZSA-N 1 0 312.373 1.198 50 0 DDAARO CC(C)[NH+]1CCC(CCNC(=O)c2cccn3cnnc23)CC1 ZINC000426685461 419530286 /nfs/dbraw/zinc/53/02/86/419530286.db2.gz VMPJKWZZEASMME-UHFFFAOYSA-N 1 0 315.421 1.970 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000426726770 419537297 /nfs/dbraw/zinc/53/72/97/419537297.db2.gz 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CC[C@H]1CN(C(=O)c2ccc(C)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000089949214 185271148 /nfs/dbraw/zinc/27/11/48/185271148.db2.gz LGFUSQDACDONBB-HIFRSBDPSA-N 1 0 305.422 1.616 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000254958329 282220846 /nfs/dbraw/zinc/22/08/46/282220846.db2.gz NRBQTSAWTOGIRJ-PKXJPQMGSA-N 1 0 302.374 1.539 50 0 DDAARO COc1cc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)cc2c1OCCO2 ZINC000254998767 282223772 /nfs/dbraw/zinc/22/37/72/282223772.db2.gz QCCATLXTFPTEHV-ZZKXABKFSA-N 1 0 304.346 1.039 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)Cc2c(F)ccc(Cl)c2F)C[C@H]1O ZINC000082108156 192357099 /nfs/dbraw/zinc/35/70/99/192357099.db2.gz UNIXPEKSVFISCV-GHMZBOCLSA-N 1 0 304.724 1.081 50 0 DDAARO CNc1ncc(C[N@H+](C)[C@@H]2CCOC3(CCOCC3)C2)cn1 ZINC000082100242 192357200 /nfs/dbraw/zinc/35/72/00/192357200.db2.gz QZXAABWXUGFTQG-CQSZACIVSA-N 1 0 306.410 1.678 50 0 DDAARO CCn1cc(C2CCN(C(=O)CCc3c[nH]cn3)CC2)cn1 ZINC000329306730 539302955 /nfs/dbraw/zinc/30/29/55/539302955.db2.gz 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CC(=O)N1CCC([N@@H+]2CC[C@](O)(c3ccccc3C)C2)CC1 ZINC000065462280 184348927 /nfs/dbraw/zinc/34/89/27/184348927.db2.gz HMCGNNJBYWGFLK-GOSISDBHSA-N 1 0 302.418 1.899 50 0 DDAARO O=C1CCc2cc(OC[C@H](O)C[NH2+]C3CCCC3)ccc2N1 ZINC000065473071 184350650 /nfs/dbraw/zinc/35/06/50/184350650.db2.gz PBIIDQAHZOBPAV-CQSZACIVSA-N 1 0 304.390 1.843 50 0 DDAARO O=C(NCC[NH+]1CCCC1)NCc1nncn1-c1ccccc1 ZINC000065552666 184364856 /nfs/dbraw/zinc/36/48/56/184364856.db2.gz HNYIFCRLLOTDIT-UHFFFAOYSA-N 1 0 314.393 1.162 50 0 DDAARO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000065608099 184371916 /nfs/dbraw/zinc/37/19/16/184371916.db2.gz YQBYZDLQLWLMOS-CQSZACIVSA-N 1 0 319.405 1.720 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)CCOCc2ccccc2)C1 ZINC000065626163 184375293 /nfs/dbraw/zinc/37/52/93/184375293.db2.gz PMBDETQCUZASBP-QGZVFWFLSA-N 1 0 320.433 1.678 50 0 DDAARO O=C1c2ccccc2S(=O)(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000044645210 285025818 /nfs/dbraw/zinc/02/58/18/285025818.db2.gz ZCHQWJWVSIWDCD-UHFFFAOYSA-N 1 0 306.387 1.458 50 0 DDAARO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158199250 197252385 /nfs/dbraw/zinc/25/23/85/197252385.db2.gz OJEIYGGUEOMZJS-VIFPVBQESA-N 1 0 316.810 1.307 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000158228704 197255346 /nfs/dbraw/zinc/25/53/46/197255346.db2.gz DNNBRJRBDZCVKL-GJZGRUSLSA-N 1 0 308.447 1.537 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)[C@H]1C[NH3+] ZINC000299739249 296397591 /nfs/dbraw/zinc/39/75/91/296397591.db2.gz MIFYULUSGFTLFP-PELKAZGASA-N 1 0 322.352 1.852 50 0 DDAARO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2cncn2)CC1 ZINC000156375934 197108649 /nfs/dbraw/zinc/10/86/49/197108649.db2.gz STVFVWMALGAGOO-SNPRPXQTSA-N 1 0 303.410 1.362 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1S(C)(=O)=O ZINC000156277137 197100976 /nfs/dbraw/zinc/10/09/76/197100976.db2.gz STPRDIJIICAGDV-GXTWGEPZSA-N 1 0 324.446 1.598 50 0 DDAARO CS[C@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000271608264 209055971 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CC[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000054534477 407185568 /nfs/dbraw/zinc/18/55/68/407185568.db2.gz FWHJJPGYIZQQJI-QGZVFWFLSA-N 1 0 303.450 1.934 50 0 DDAARO CCS(=O)(=O)N(C)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000096419574 407263057 /nfs/dbraw/zinc/26/30/57/407263057.db2.gz RUWQRKHILWTLDC-UHFFFAOYSA-N 1 0 317.499 1.218 50 0 DDAARO O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000096421457 407263127 /nfs/dbraw/zinc/26/31/27/407263127.db2.gz VSIHOIRCGNTOAP-VGWMRTNUSA-N 1 0 307.438 1.681 50 0 DDAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2c1CCC2 ZINC000096344347 407258979 /nfs/dbraw/zinc/25/89/79/407258979.db2.gz IYOACTFZIFFILK-DOMZBBRYSA-N 1 0 302.422 1.893 50 0 DDAARO CCNC(=O)c1c(NC(=O)[C@@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000055100422 407195993 /nfs/dbraw/zinc/19/59/93/407195993.db2.gz GNKWLHZKVGZCCY-SNVBAGLBSA-N 1 0 321.446 1.925 50 0 DDAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Cl)ccn1 ZINC000096412725 407261339 /nfs/dbraw/zinc/26/13/39/407261339.db2.gz 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DDAARO C[NH+](C)C[C@H](O)CNC(=O)C1(c2ccccc2)CCCCC1 ZINC000534666275 334318924 /nfs/dbraw/zinc/31/89/24/334318924.db2.gz CZNDIOKSYQUPHG-MRXNPFEDSA-N 1 0 304.434 1.927 50 0 DDAARO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3[nH]c(C)nc3C2)C1 ZINC000534672984 334321082 /nfs/dbraw/zinc/32/10/82/334321082.db2.gz ULTUDFZANASAAQ-CYBMUJFWSA-N 1 0 305.426 1.518 50 0 DDAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000388511000 483974370 /nfs/dbraw/zinc/97/43/70/483974370.db2.gz HPKMOLCOBKCOPE-ZDUSSCGKSA-N 1 0 309.385 1.973 50 0 DDAARO CS(=O)(=O)NCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083453484 483982078 /nfs/dbraw/zinc/98/20/78/483982078.db2.gz BHJRBLDQIGIADB-UHFFFAOYSA-N 1 0 317.461 1.510 50 0 DDAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(=O)[nH]1 ZINC000670443552 484832996 /nfs/dbraw/zinc/83/29/96/484832996.db2.gz ANCOWWDPJSCPTA-LLVKDONJSA-N 1 0 318.402 1.226 50 0 DDAARO COCC[C@H]1C[N@H+](CCC(=O)NCc2ccc(C)cc2)CCO1 ZINC000670457183 484843167 /nfs/dbraw/zinc/84/31/67/484843167.db2.gz 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CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000823678221 758341079 /nfs/dbraw/zinc/34/10/79/758341079.db2.gz BQUDSFBOYNUHEX-CYBMUJFWSA-N 1 0 318.421 1.467 50 0 DDAARO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc2[nH]cnc2c1 ZINC000823772894 758352239 /nfs/dbraw/zinc/35/22/39/758352239.db2.gz JVKBNRATRLTQKA-LLVKDONJSA-N 1 0 308.407 1.278 50 0 DDAARO COCC1(C[NH2+][C@H](C)CNS(=O)(=O)C2CC2)CCCC1 ZINC000824349377 759173503 /nfs/dbraw/zinc/17/35/03/759173503.db2.gz KCKZKDWTNLZZKS-GFCCVEGCSA-N 1 0 304.456 1.253 50 0 DDAARO COCCC1([NH+](C)C)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000581805094 761716026 /nfs/dbraw/zinc/71/60/26/761716026.db2.gz SQCWCGROAVUTHG-UHFFFAOYSA-N 1 0 306.410 1.358 50 0 DDAARO CCOCCN1CC2(CCC1=O)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000219595536 771934533 /nfs/dbraw/zinc/93/45/33/771934533.db2.gz QRDNKKLZZAQKFQ-INIZCTEOSA-N 1 0 323.481 1.480 50 0 DDAARO Cc1n[nH]nc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000585130773 771963624 /nfs/dbraw/zinc/96/36/24/771963624.db2.gz BPAWCSNOKVFSQH-ZDUSSCGKSA-N 1 0 300.366 1.359 50 0 DDAARO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952862191 775591287 /nfs/dbraw/zinc/59/12/87/775591287.db2.gz NDVCSWMWQQDSDS-GFCCVEGCSA-N 1 0 321.446 1.934 50 0 DDAARO C[C@@H]1Cc2cc(NC(=O)CC[NH+]3CCN(C)CC3)ccc2O1 ZINC000952869835 775601788 /nfs/dbraw/zinc/60/17/88/775601788.db2.gz MPILFUUJTODQIH-CYBMUJFWSA-N 1 0 303.406 1.586 50 0 DDAARO O=C(c1cc(=O)[nH]c2ccccc21)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC000952879112 775629849 /nfs/dbraw/zinc/62/98/49/775629849.db2.gz NGINSBRGLXVASK-LLVKDONJSA-N 1 0 313.357 1.143 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1ccncc1 ZINC000097572097 282094341 /nfs/dbraw/zinc/09/43/41/282094341.db2.gz UWGHOCUUPAXVCU-MRXNPFEDSA-N 1 0 305.422 1.583 50 0 DDAARO O=C([C@@H]1CC[NH2+]C1)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000095521299 185377541 /nfs/dbraw/zinc/37/75/41/185377541.db2.gz MIHLGRLDFAYSAT-MRXNPFEDSA-N 1 0 316.449 1.999 50 0 DDAARO CCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000095698948 185383136 /nfs/dbraw/zinc/38/31/36/185383136.db2.gz UJGDVPSHWFYNEV-AWEZNQCLSA-N 1 0 322.405 1.975 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H]1[NH+](C)C ZINC000078894877 185123814 /nfs/dbraw/zinc/12/38/14/185123814.db2.gz GEUWDELPQNAHEA-ZWNOBZJWSA-N 1 0 319.430 1.753 50 0 DDAARO Cc1cc(C)nc(N2CCC(C(=O)NCCC[NH+](C)C)CC2)n1 ZINC000079476296 185173192 /nfs/dbraw/zinc/17/31/92/185173192.db2.gz AFTTXLWWLKYWJL-UHFFFAOYSA-N 1 0 319.453 1.378 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000089948671 185270809 /nfs/dbraw/zinc/27/08/09/185270809.db2.gz HNZNHRZINPGVEG-IACUBPJLSA-N 1 0 322.409 1.547 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000095402477 185354563 /nfs/dbraw/zinc/35/45/63/185354563.db2.gz HJAATLDMCLVATI-IMJJTQAJSA-N 1 0 311.470 1.774 50 0 DDAARO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cscn1 ZINC000095418186 185359477 /nfs/dbraw/zinc/35/94/77/185359477.db2.gz BXAJAWAKASLHRT-AWEZNQCLSA-N 1 0 317.414 1.292 50 0 DDAARO C[C@@H](CCSc1ccccc1)[NH+]1CCN(CC(N)=O)CC1 ZINC000095428283 185362363 /nfs/dbraw/zinc/36/23/63/185362363.db2.gz RUJNUSARGJHHFU-AWEZNQCLSA-N 1 0 307.463 1.660 50 0 DDAARO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000095437673 185365568 /nfs/dbraw/zinc/36/55/68/185365568.db2.gz GHCJXAGBOJNELB-ZDUSSCGKSA-N 1 0 321.469 1.686 50 0 DDAARO O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H]([NH2+]C2(CO)CC2)C1 ZINC000097100345 185409639 /nfs/dbraw/zinc/40/96/39/185409639.db2.gz CBIBQBYWLQOUHT-QWHCGFSZSA-N 1 0 314.385 1.708 50 0 DDAARO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000069043606 190795286 /nfs/dbraw/zinc/79/52/86/190795286.db2.gz GZMNYKRFMXATGX-HNNXBMFYSA-N 1 0 308.447 1.936 50 0 DDAARO Cc1noc([C@]23CN(Cc4conc4C)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940802 539564122 /nfs/dbraw/zinc/56/41/22/539564122.db2.gz VMOLEEVMRLPXGV-GDBMZVCRSA-N 1 0 317.393 1.380 50 0 DDAARO CCOC(=O)[C@@H](C[NH2+]C[C@]1(OC)CCOC1)Cc1ccccc1 ZINC000685944908 539567380 /nfs/dbraw/zinc/56/73/80/539567380.db2.gz HRPQANKKCXFZDH-SJLPKXTDSA-N 1 0 321.417 1.804 50 0 DDAARO Cn1cc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)cn1 ZINC000083476655 192371340 /nfs/dbraw/zinc/37/13/40/192371340.db2.gz RSDWFGPUSVEFIZ-UHFFFAOYSA-N 1 0 306.454 1.792 50 0 DDAARO O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc(Cl)cc1 ZINC000069875523 190832861 /nfs/dbraw/zinc/83/28/61/190832861.db2.gz PGWPXZZEVSNHTP-STQMWFEESA-N 1 0 322.796 1.276 50 0 DDAARO CCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000083836871 192385612 /nfs/dbraw/zinc/38/56/12/192385612.db2.gz HXGQWZOTWCAGEX-HNNXBMFYSA-N 1 0 317.441 1.009 50 0 DDAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)CO ZINC000071738834 191019395 /nfs/dbraw/zinc/01/93/95/191019395.db2.gz BBIZHYLNZWUGPW-LLVKDONJSA-N 1 0 319.405 1.459 50 0 DDAARO CC(C)[C@H]1CN(C(=O)C[NH3+])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764557 191027421 /nfs/dbraw/zinc/02/74/21/191027421.db2.gz RAKVTARAFRIMIO-OAHLLOKOSA-N 1 0 321.396 1.370 50 0 DDAARO COc1ccnc(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072143977 191051282 /nfs/dbraw/zinc/05/12/82/191051282.db2.gz KITBKLFDSSGGHR-OAHLLOKOSA-N 1 0 319.405 1.461 50 0 DDAARO NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072168312 191067047 /nfs/dbraw/zinc/06/70/47/191067047.db2.gz YOZQJUQFAKKNLC-KRWDZBQOSA-N 1 0 323.396 1.529 50 0 DDAARO COc1cc(Br)ccc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000148761953 186045513 /nfs/dbraw/zinc/04/55/13/186045513.db2.gz ZEAFMMBSBBLICP-SNVBAGLBSA-N 1 0 313.195 1.892 50 0 DDAARO FC(F)(F)Oc1ccc(C2=NOC3(CC[NH2+]CC3)N2)cc1 ZINC000072265066 191089684 /nfs/dbraw/zinc/08/96/84/191089684.db2.gz WCZFTOARQNBOBE-UHFFFAOYSA-N 1 0 301.268 1.946 50 0 DDAARO C[C@H](CNC(=O)N1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000072277862 191098590 /nfs/dbraw/zinc/09/85/90/191098590.db2.gz UCUAGUKNBLZLFZ-HUUCEWRRSA-N 1 0 305.422 1.937 50 0 DDAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(C)noc2C)ncn1 ZINC000072276608 191099005 /nfs/dbraw/zinc/09/90/05/191099005.db2.gz ZKKVXAHOQLNYGN-CYBMUJFWSA-N 1 0 316.409 1.882 50 0 DDAARO O=C1NCC[C@@H]1[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000253393910 186303598 /nfs/dbraw/zinc/30/35/98/186303598.db2.gz MHXSDVFUTSXBGF-NSHDSACASA-N 1 0 313.199 1.171 50 0 DDAARO NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000072319278 191121335 /nfs/dbraw/zinc/12/13/35/191121335.db2.gz UWJCXGCHBLFHMF-ZIAGYGMSSA-N 1 0 312.797 1.167 50 0 DDAARO C[NH+](C)CCCOC(=O)C[C@@](C)(O)[C@@H]1CCOC(C)(C)C1 ZINC000002095080 352111189 /nfs/dbraw/zinc/11/11/89/352111189.db2.gz DOOPQZWBQGMYGP-CZUORRHYSA-N 1 0 301.427 1.828 50 0 biogenic DDAARO CC(C)c1cc(NCCC[NH+]2CCN(C)CC2)n2nccc2n1 ZINC000072478109 191180012 /nfs/dbraw/zinc/18/00/12/191180012.db2.gz ZNYXJNAEMKGXRO-UHFFFAOYSA-N 1 0 316.453 1.902 50 0 DDAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000059767084 352863976 /nfs/dbraw/zinc/86/39/76/352863976.db2.gz HTNNZRHUPIIMHH-ZDUSSCGKSA-N 1 0 314.393 1.686 50 0 DDAARO O=C(OCc1ccccc1)N1CCC(N2CC[NH2+]CC2)CC1 ZINC000073652971 353264442 /nfs/dbraw/zinc/26/44/42/353264442.db2.gz UWOPXPBPPSMOTE-UHFFFAOYSA-N 1 0 303.406 1.693 50 0 DDAARO CN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCc3ccccn3)C2)C1=O ZINC000076058890 353395657 /nfs/dbraw/zinc/39/56/57/353395657.db2.gz WKJYTMJKJBAZFO-GUYCJALGSA-N 1 0 316.405 1.276 50 0 DDAARO Cc1nc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)oc1C ZINC000076059395 353395820 /nfs/dbraw/zinc/39/58/20/353395820.db2.gz WQXQUGGQSHGXCV-BLLLJJGKSA-N 1 0 320.393 1.444 50 0 DDAARO O=C(CC[NH2+]C[C@@H]1CCCN1c1cccnn1)NC1CCCC1 ZINC000075584867 353369638 /nfs/dbraw/zinc/36/96/38/353369638.db2.gz BJYGFEKLFVFOGJ-HNNXBMFYSA-N 1 0 317.437 1.484 50 0 DDAARO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000075606334 353371496 /nfs/dbraw/zinc/37/14/96/353371496.db2.gz UYQRNKRJODGOKY-TVFCKZIOSA-N 1 0 314.429 1.848 50 0 DDAARO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)o1 ZINC000083827820 353715149 /nfs/dbraw/zinc/71/51/49/353715149.db2.gz LNLBJCUKRSRHHZ-LSDHHAIUSA-N 1 0 321.421 1.696 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)C2 ZINC000084714277 353726537 /nfs/dbraw/zinc/72/65/37/353726537.db2.gz UZEFCOOTGIPIIU-JGGQBBKZSA-N 1 0 318.417 1.655 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(CO)CCOCC1)CC2 ZINC000090662981 353797048 /nfs/dbraw/zinc/79/70/48/353797048.db2.gz XZHLWXTXHDRLRN-INIZCTEOSA-N 1 0 305.418 1.931 50 0 DDAARO C[C@@H]([NH2+]CCCN1CCCC1=O)C(=O)Nc1ccccc1F ZINC000003440277 181020285 /nfs/dbraw/zinc/02/02/85/181020285.db2.gz ZWSDBLVKSOXREV-GFCCVEGCSA-N 1 0 307.369 1.755 50 0 DDAARO O[C@@H](CN1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000097377971 353919721 /nfs/dbraw/zinc/91/97/21/353919721.db2.gz HTHLGLXROSHVEI-AWEZNQCLSA-N 1 0 320.330 1.909 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](C)N1CCOCC1 ZINC000106662082 353940667 /nfs/dbraw/zinc/94/06/67/353940667.db2.gz PYDOWJLXJLTPLZ-XHSDSOJGSA-N 1 0 309.454 1.182 50 0 DDAARO Cc1ncc(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)s1 ZINC000107059350 353944050 /nfs/dbraw/zinc/94/40/50/353944050.db2.gz VASKMOXHNWOPJF-HZMBPMFUSA-N 1 0 308.407 1.262 50 0 DDAARO CC(C)N1C(=O)N[C@@]2(CC[N@@H+]([C@H](C)c3cccnc3)C2)C1=O ZINC000107322943 353944826 /nfs/dbraw/zinc/94/48/26/353944826.db2.gz ZEAMHMUYOUHSAD-MLGOLLRUSA-N 1 0 302.378 1.547 50 0 DDAARO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000003875336 181050705 /nfs/dbraw/zinc/05/07/05/181050705.db2.gz ZPUCINDJVBIVPJ-LJISPDSOSA-N 1 0 303.358 1.868 50 0 biogenic,world DDAARO CCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000236788538 202010030 /nfs/dbraw/zinc/01/00/30/202010030.db2.gz UMPXGIQWHODEGR-FZMZJTMJSA-N 1 0 312.435 1.737 50 0 DDAARO CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191907807 354288677 /nfs/dbraw/zinc/28/86/77/354288677.db2.gz SXCAFPBKFTYHGR-AWEZNQCLSA-N 1 0 322.430 1.824 50 0 DDAARO C[NH+](C)CCCNC(=O)c1cc(Br)ccc1O ZINC000004322919 181098136 /nfs/dbraw/zinc/09/81/36/181098136.db2.gz SKKNGENANNQMRG-UHFFFAOYSA-N 1 0 301.184 1.836 50 0 DDAARO Cc1ccc(NC(=O)C(C)(C)O)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000390835609 354642979 /nfs/dbraw/zinc/64/29/79/354642979.db2.gz SJHYKCPJJGUCBJ-AWEZNQCLSA-N 1 0 305.422 1.845 50 0 DDAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)N[C@@H](C)C[NH+]1CCCC1)C2 ZINC000584888233 354791360 /nfs/dbraw/zinc/79/13/60/354791360.db2.gz KCDWYGGTGYDORI-JTQLQIEISA-N 1 0 305.382 1.000 50 0 DDAARO COCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000080660831 192179605 /nfs/dbraw/zinc/17/96/05/192179605.db2.gz FCKQVWJOAVQAJE-OAHLLOKOSA-N 1 0 305.422 1.939 50 0 DDAARO CCOC(=O)N1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C1 ZINC000584899658 354798949 /nfs/dbraw/zinc/79/89/49/354798949.db2.gz HWFAMANXVJSHEA-CYBMUJFWSA-N 1 0 302.378 1.697 50 0 DDAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1cncc(=O)[nH]1 ZINC000584893039 354795215 /nfs/dbraw/zinc/79/52/15/354795215.db2.gz HTIKFJUNOGBHQM-UHFFFAOYSA-N 1 0 304.394 1.298 50 0 DDAARO CC(C)(C)[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000584896014 354796854 /nfs/dbraw/zinc/79/68/54/354796854.db2.gz XYEAPNZXQMGCDK-LLVKDONJSA-N 1 0 308.382 1.128 50 0 DDAARO CCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966837 283196088 /nfs/dbraw/zinc/19/60/88/283196088.db2.gz HBCMMALRTLRSMP-UHFFFAOYSA-N 1 0 321.396 1.500 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c(C)c2)C1 ZINC000237077293 202145454 /nfs/dbraw/zinc/14/54/54/202145454.db2.gz LMEYDVOQZQTQOH-CQSZACIVSA-N 1 0 313.405 1.647 50 0 DDAARO COc1ccccc1CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237166588 202173921 /nfs/dbraw/zinc/17/39/21/202173921.db2.gz OJYWZIAUORNSEK-ZBFHGGJFSA-N 1 0 317.433 1.467 50 0 DDAARO Cc1cccc(C)c1OC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237641629 202313664 /nfs/dbraw/zinc/31/36/64/202313664.db2.gz OTBZNWCUWOCRER-INIZCTEOSA-N 1 0 318.417 1.662 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000237928218 202392446 /nfs/dbraw/zinc/39/24/46/202392446.db2.gz CFQRDYONWFLOGN-QMMMGPOBSA-N 1 0 312.288 1.566 50 0 DDAARO CO[C@@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000195315954 201379530 /nfs/dbraw/zinc/37/95/30/201379530.db2.gz GDEODOLLRJMRCG-JSGCOSHPSA-N 1 0 304.456 1.205 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@H]1CO ZINC000091536695 193070664 /nfs/dbraw/zinc/07/06/64/193070664.db2.gz YQKPZLRPHZLJFQ-ZIAGYGMSSA-N 1 0 309.385 1.137 50 0 DDAARO COCCN1CC2(CCC1=O)CC[NH+](CCn1ccnc1)CC2 ZINC000091594297 193077477 /nfs/dbraw/zinc/07/74/77/193077477.db2.gz LXCZALLXQFIVIG-UHFFFAOYSA-N 1 0 320.437 1.234 50 0 DDAARO COCC(=O)N[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1C1CC1 ZINC000091665598 193087612 /nfs/dbraw/zinc/08/76/12/193087612.db2.gz NMDZFCWDRZVOQG-MSOLQXFVSA-N 1 0 314.429 1.627 50 0 DDAARO CO[C@@]1(C)C[C@@H](O)C12CC[NH+](CCC(=O)N1CCCC1)CC2 ZINC000091745478 193100700 /nfs/dbraw/zinc/10/07/00/193100700.db2.gz BPNXSVDWZAKDOR-ZBFHGGJFSA-N 1 0 310.438 1.251 50 0 DDAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)C[NH3+] ZINC000091894238 193123810 /nfs/dbraw/zinc/12/38/10/193123810.db2.gz BRGCWNXWUWKBIZ-LBPRGKRZSA-N 1 0 305.426 1.691 50 0 DDAARO O=C(CO)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091951982 193130670 /nfs/dbraw/zinc/13/06/70/193130670.db2.gz LPLVPBHJQULZKO-XJKSGUPXSA-N 1 0 300.402 1.069 50 0 DDAARO CCc1nc(C[C@@H]2CN(c3nc(N)[nH+]c(C)c3C)CCO2)no1 ZINC000091950715 193131600 /nfs/dbraw/zinc/13/16/00/193131600.db2.gz NZUFYWQKZWTUCW-LLVKDONJSA-N 1 0 318.381 1.069 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1nc(-c2ccncc2)no1 ZINC000092002626 193140049 /nfs/dbraw/zinc/14/00/49/193140049.db2.gz ROMKFBUSFWDQSD-NSHDSACASA-N 1 0 321.406 1.170 50 0 DDAARO COc1ccc(Cn2cc(C(=O)N3CCC[C@@H]3C[NH3+])cn2)cc1 ZINC000262605031 203347587 /nfs/dbraw/zinc/34/75/87/203347587.db2.gz BEYBSMPNBVUDBN-OAHLLOKOSA-N 1 0 314.389 1.503 50 0 DDAARO COc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1OC ZINC000093664706 193286247 /nfs/dbraw/zinc/28/62/47/193286247.db2.gz OQDVGRQAUFOXJH-OAHLLOKOSA-N 1 0 320.433 1.858 50 0 DDAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2F)cc1 ZINC000019872052 182158785 /nfs/dbraw/zinc/15/87/85/182158785.db2.gz RSBCSHUOPBBKNZ-UHFFFAOYSA-N 1 0 308.378 1.805 50 0 DDAARO O=C(Nc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000020362728 182211645 /nfs/dbraw/zinc/21/16/45/182211645.db2.gz YQYNQDOMHGOMIQ-SNVBAGLBSA-N 1 0 316.142 1.982 50 0 DDAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000022999078 182344305 /nfs/dbraw/zinc/34/43/05/182344305.db2.gz ADTHUZFPIAQQCD-UHFFFAOYSA-N 1 0 305.378 1.092 50 0 DDAARO Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000022998971 182344310 /nfs/dbraw/zinc/34/43/10/182344310.db2.gz BQFHYHUQMZYJFB-UHFFFAOYSA-N 1 0 303.406 1.069 50 0 DDAARO C[NH+]1CCC(CNS(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000022999709 182344389 /nfs/dbraw/zinc/34/43/89/182344389.db2.gz VVHSQFUGLTYLCO-UHFFFAOYSA-N 1 0 304.362 1.585 50 0 DDAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N1CCCCC1 ZINC000022843464 182337134 /nfs/dbraw/zinc/33/71/34/182337134.db2.gz KPQOPDBXBWAEAX-UHFFFAOYSA-N 1 0 311.451 1.569 50 0 DDAARO CN(Cc1ccccc1Br)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037798087 182926926 /nfs/dbraw/zinc/92/69/26/182926926.db2.gz IBBSDRKHRFMDEZ-CMPLNLGQSA-N 1 0 313.195 1.130 50 0 DDAARO C[NH+](C)CC[C@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000039515910 183019692 /nfs/dbraw/zinc/01/96/92/183019692.db2.gz JTVMXYYJSLWMAJ-ZDUSSCGKSA-N 1 0 321.377 1.600 50 0 DDAARO Cc1noc(C)c1CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000040512851 183088074 /nfs/dbraw/zinc/08/80/74/183088074.db2.gz ZVKMAGNJOJIGTH-OAHLLOKOSA-N 1 0 321.421 1.547 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000040597718 183107615 /nfs/dbraw/zinc/10/76/15/183107615.db2.gz HOKZTCCPQHXTNR-LBPRGKRZSA-N 1 0 300.399 1.754 50 0 DDAARO CCCOc1cccc(C[NH2+]CCSc2nnnn2C)c1 ZINC000040721832 183123591 /nfs/dbraw/zinc/12/35/91/183123591.db2.gz CJPVQYNSJBDLPB-UHFFFAOYSA-N 1 0 307.423 1.881 50 0 DDAARO O=C(c1cc(C2CC2)n[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000042393138 183263321 /nfs/dbraw/zinc/26/33/21/183263321.db2.gz LGOGPAPFQSZNNI-AWEZNQCLSA-N 1 0 318.421 1.614 50 0 DDAARO O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)CN1CCCO ZINC000091325263 284785481 /nfs/dbraw/zinc/78/54/81/284785481.db2.gz ODVNAQQKYFSOKO-UHFFFAOYSA-N 1 0 306.406 1.867 50 0 DDAARO CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000057554807 184042275 /nfs/dbraw/zinc/04/22/75/184042275.db2.gz CJEUNJILJRZSIE-GFCCVEGCSA-N 1 0 305.353 1.751 50 0 DDAARO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)N1CCOCC1 ZINC000058452547 184119567 /nfs/dbraw/zinc/11/95/67/184119567.db2.gz MASAIOOVDTVENI-UHFFFAOYSA-N 1 0 318.417 1.526 50 0 DDAARO CS(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000062423107 184235252 /nfs/dbraw/zinc/23/52/52/184235252.db2.gz UNYWGFICCDNGSI-UHFFFAOYSA-N 1 0 320.414 1.795 50 0 DDAARO OCc1nnn(CC[NH+]2CCCC2)c1-c1ccc2c(c1)OCO2 ZINC000062315991 184229478 /nfs/dbraw/zinc/22/94/78/184229478.db2.gz FZGQEYIQELYAQV-UHFFFAOYSA-N 1 0 316.361 1.262 50 0 DDAARO C[C@H]([NH3+])CCNS(=O)(=O)c1sccc1Br ZINC000063171348 184276121 /nfs/dbraw/zinc/27/61/21/184276121.db2.gz XUNVZUORMWQXEN-LURJTMIESA-N 1 0 313.242 1.526 50 0 DDAARO Cc1[nH+]c(N(C)C)nc(NCc2cccnc2-n2cncn2)c1C ZINC000065373126 184330435 /nfs/dbraw/zinc/33/04/35/184330435.db2.gz VLOVKHAJLQDGBI-UHFFFAOYSA-N 1 0 324.392 1.747 50 0 DDAARO C[C@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)[NH+]1CCCC1 ZINC000065436802 184344953 /nfs/dbraw/zinc/34/49/53/184344953.db2.gz AZFAHRAEOWDMPA-KGLIPLIRSA-N 1 0 320.441 1.188 50 0 DDAARO C[C@H]1CN(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@H](C)O1 ZINC000065473307 184350871 /nfs/dbraw/zinc/35/08/71/184350871.db2.gz JAFLZPDOQFYJKL-KBPBESRZSA-N 1 0 315.421 1.671 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000065403905 184336999 /nfs/dbraw/zinc/33/69/99/184336999.db2.gz YROPKFOMNPKKHS-OAHLLOKOSA-N 1 0 303.406 1.103 50 0 DDAARO Cc1cnc(NC[C@@H](O)C[NH+]2CCCCCC2)nc1N(C)C ZINC000065405527 184337762 /nfs/dbraw/zinc/33/77/62/184337762.db2.gz JAZCCPNSTXWRSD-CQSZACIVSA-N 1 0 307.442 1.500 50 0 DDAARO COc1cc(CCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc(OC)c1 ZINC000065534379 184361998 /nfs/dbraw/zinc/36/19/98/184361998.db2.gz OPQGEDZYAVSODW-AWEZNQCLSA-N 1 0 306.406 1.847 50 0 DDAARO O=C(NC1CC[NH+](CCc2ccncc2)CC1)N1CCCC1 ZINC000065604150 184371406 /nfs/dbraw/zinc/37/14/06/184371406.db2.gz OOJCBDUJUWGGML-UHFFFAOYSA-N 1 0 302.422 1.894 50 0 DDAARO CN1CCO[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000065614981 184374272 /nfs/dbraw/zinc/37/42/72/184374272.db2.gz NNDFIDAETAONOR-SECBINFHSA-N 1 0 305.241 1.931 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000065624841 184375456 /nfs/dbraw/zinc/37/54/56/184375456.db2.gz XPGXKIYDZDWACJ-MRXNPFEDSA-N 1 0 316.449 1.735 50 0 DDAARO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000236733637 257239228 /nfs/dbraw/zinc/23/92/28/257239228.db2.gz MBDMMRDBQYEJNN-STQMWFEESA-N 1 0 312.435 1.974 50 0 DDAARO O=C(NCCn1cccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000140765685 257242450 /nfs/dbraw/zinc/24/24/50/257242450.db2.gz OUDOIPAAPYVIMF-UHFFFAOYSA-N 1 0 305.426 1.543 50 0 DDAARO CS(=O)(=O)NCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000071794748 184842840 /nfs/dbraw/zinc/84/28/40/184842840.db2.gz MXSSUVLAWWHADR-UHFFFAOYSA-N 1 0 312.313 1.224 50 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Cc1nc2n(n1)C[C@H]([NH2+]Cc1cnc(N3CCCC3)nc1)CC2 ZINC000069951722 406797157 /nfs/dbraw/zinc/79/71/57/406797157.db2.gz HDDNNLBLAYSQCK-CQSZACIVSA-N 1 0 313.409 1.081 50 0 DDAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3ccccc3)C2)CC1 ZINC000011772198 406830459 /nfs/dbraw/zinc/83/04/59/406830459.db2.gz CQKCSXGZLYNDMX-INIZCTEOSA-N 1 0 301.434 1.975 50 0 DDAARO COCc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)o1 ZINC000011764746 406830767 /nfs/dbraw/zinc/83/07/67/406830767.db2.gz IVRIWVOBPOBIAZ-ZDUSSCGKSA-N 1 0 302.378 1.975 50 0 DDAARO O=C(N[C@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCCO1 ZINC000071195902 406834239 /nfs/dbraw/zinc/83/42/39/406834239.db2.gz BWBOKGCPPUAIID-GOEBONIOSA-N 1 0 312.373 1.940 50 0 DDAARO CC(C)(C)[NH+]1CCN(C(=O)c2cccnc2-n2cncn2)CC1 ZINC000071818516 406846328 /nfs/dbraw/zinc/84/63/28/406846328.db2.gz HAUIPMDDBOGYNP-UHFFFAOYSA-N 1 0 314.393 1.219 50 0 DDAARO CN1CCO[C@H](C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071877188 406859372 /nfs/dbraw/zinc/85/93/72/406859372.db2.gz 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ZINC000072269541 406877921 /nfs/dbraw/zinc/87/79/21/406877921.db2.gz DOWDFWFSNSXGCK-GLQYFDAESA-N 1 0 321.421 1.453 50 0 DDAARO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000015080393 406878964 /nfs/dbraw/zinc/87/89/64/406878964.db2.gz IBKLQJNUISZKGC-OAHLLOKOSA-N 1 0 309.841 1.982 50 0 DDAARO CCCn1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cn1 ZINC000072300565 406880946 /nfs/dbraw/zinc/88/09/46/406880946.db2.gz NQVBTBJAEXONHD-JSGCOSHPSA-N 1 0 314.455 1.053 50 0 DDAARO O=C(NCc1cccs1)C1CC[NH+](CCn2cncn2)CC1 ZINC000072721360 406885657 /nfs/dbraw/zinc/88/56/57/406885657.db2.gz JOMQQWURAQUZCK-UHFFFAOYSA-N 1 0 319.434 1.368 50 0 DDAARO C1=CC[C@@H]2C[N@@H+](Cc3cnc(N4CCOCC4)nc3)C[C@@H]2C1 ZINC000071771517 406841721 /nfs/dbraw/zinc/84/17/21/406841721.db2.gz HODRCGLXSMTNMT-IYBDPMFKSA-N 1 0 300.406 1.711 50 0 DDAARO COCCNC(=O)c1cc(N2CC[NH+](CC(C)C)CC2)ccn1 ZINC000071762225 406843057 /nfs/dbraw/zinc/84/30/57/406843057.db2.gz ARORSRHZDKIGAY-UHFFFAOYSA-N 1 0 320.437 1.236 50 0 DDAARO CC(C)[C@@H](CNC(=O)NCc1cccnc1)[NH+]1CCN(C)CC1 ZINC000071798621 406843667 /nfs/dbraw/zinc/84/36/67/406843667.db2.gz FWLVZKDFTLIWLL-MRXNPFEDSA-N 1 0 319.453 1.153 50 0 DDAARO CC(C)(C)[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000071817274 406845159 /nfs/dbraw/zinc/84/51/59/406845159.db2.gz DZBKIBFHHOXRIJ-UHFFFAOYSA-N 1 0 300.406 1.770 50 0 DDAARO CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000075148020 406925272 /nfs/dbraw/zinc/92/52/72/406925272.db2.gz SDWCTKSWTVUPQZ-MRXNPFEDSA-N 1 0 315.417 1.246 50 0 DDAARO O=C(c1ccc([S@@](=O)c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000075567671 406934762 /nfs/dbraw/zinc/93/47/62/406934762.db2.gz JLGQJSPXOQIWPW-JOCHJYFZSA-N 1 0 315.398 1.294 50 0 DDAARO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000075718586 406940239 /nfs/dbraw/zinc/94/02/39/406940239.db2.gz LBPNVVDPCXPRIV-ZIAGYGMSSA-N 1 0 311.451 1.561 50 0 DDAARO Cc1cc(N2CCN(Cc3ccccc3F)C(=O)C2)nc(N)[nH+]1 ZINC000032541143 406949583 /nfs/dbraw/zinc/94/95/83/406949583.db2.gz 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DDAARO CC1CC[NH+](CCNC(=O)C2CCN(C(=O)N(C)C)CC2)CC1 ZINC000054780017 407188863 /nfs/dbraw/zinc/18/88/63/407188863.db2.gz LNDDOUSAWRAMTF-UHFFFAOYSA-N 1 0 324.469 1.228 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000095353454 407207903 /nfs/dbraw/zinc/20/79/03/407207903.db2.gz YVZHSBDMRLCHFJ-QGZVFWFLSA-N 1 0 318.421 1.050 50 0 DDAARO COCCC(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095354643 407208095 /nfs/dbraw/zinc/20/80/95/407208095.db2.gz GPPYRTLMCXYQPC-UHFFFAOYSA-N 1 0 322.453 1.577 50 0 DDAARO O=c1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)[nH]c2c(F)cccc12 ZINC000095365496 407210319 /nfs/dbraw/zinc/21/03/19/407210319.db2.gz UIXXHIKZSHAMHN-SNVBAGLBSA-N 1 0 324.377 1.192 50 0 DDAARO CN1CCCCC[C@H]1c1nc(CCN2CC[NH+](C)CC2)no1 ZINC000095381009 407212282 /nfs/dbraw/zinc/21/22/82/407212282.db2.gz CKUDUZHZQUGGTP-AWEZNQCLSA-N 1 0 307.442 1.406 50 0 DDAARO COCCC[N@@H+]1CCCN(C(=O)Cc2ccccc2O)CC1 ZINC000095401022 407213163 /nfs/dbraw/zinc/21/31/63/407213163.db2.gz WSOCZTPDAIUFSM-UHFFFAOYSA-N 1 0 306.406 1.506 50 0 DDAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000095940839 407215419 /nfs/dbraw/zinc/21/54/19/407215419.db2.gz VYFHIJYXFKCSGJ-YUELXQCFSA-N 1 0 306.454 1.869 50 0 DDAARO c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1Cn1cncn1)CN2 ZINC000058370927 407221109 /nfs/dbraw/zinc/22/11/09/407221109.db2.gz WRMYBPGLAOLLOK-AWEZNQCLSA-N 1 0 323.404 1.354 50 0 DDAARO O=C(C1CC1)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121059 407238500 /nfs/dbraw/zinc/23/85/00/407238500.db2.gz KPEZZYGBSJCDFJ-UHFFFAOYSA-N 1 0 301.394 1.135 50 0 DDAARO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000096426438 407264011 /nfs/dbraw/zinc/26/40/11/407264011.db2.gz MCQMLACKILBOKH-OAHLLOKOSA-N 1 0 316.380 1.764 50 0 DDAARO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096449560 407268186 /nfs/dbraw/zinc/26/81/86/407268186.db2.gz AOOYNOOEPMDWOA-UKRRQHHQSA-N 1 0 323.412 1.345 50 0 DDAARO CC(C)Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]n1 ZINC000096454792 407269051 /nfs/dbraw/zinc/26/90/51/407269051.db2.gz ROPTYWGUPIQTSB-CQSZACIVSA-N 1 0 320.437 1.403 50 0 DDAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)C(C)C)[nH+]1 ZINC000067629975 407278872 /nfs/dbraw/zinc/27/88/72/407278872.db2.gz ADCQECLJHLIHAO-UHFFFAOYSA-N 1 0 305.426 1.959 50 0 DDAARO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1c(C)nn(C)c1OC)C2 ZINC000097084935 407279859 /nfs/dbraw/zinc/27/98/59/407279859.db2.gz UJTLNXDICKDJQN-WBMJQRKESA-N 1 0 307.394 1.512 50 0 DDAARO CCCNc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cn1 ZINC000067688724 407280231 /nfs/dbraw/zinc/28/02/31/407280231.db2.gz KVNXGXYXZGGAFS-QGZVFWFLSA-N 1 0 317.437 1.743 50 0 DDAARO [NH3+][C@H]1CN[C@H](C(=O)NCc2cccc(Oc3ccccc3)c2)C1 ZINC000067712867 407281668 /nfs/dbraw/zinc/28/16/68/407281668.db2.gz BUAXNZHFVVNAAD-PBHICJAKSA-N 1 0 311.385 1.784 50 0 DDAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000067757842 407283238 /nfs/dbraw/zinc/28/32/38/407283238.db2.gz VFUZNCLKAFJFRY-WFASDCNBSA-N 1 0 314.389 1.073 50 0 DDAARO CCOC(=O)c1[nH]c(C)c(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)c1C ZINC000067770191 407283468 /nfs/dbraw/zinc/28/34/68/407283468.db2.gz RLPJQRZBQIQQLZ-OLZOCXBDSA-N 1 0 319.405 1.775 50 0 DDAARO Cc1ccc(OCC(N)=O)c(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067869335 407288000 /nfs/dbraw/zinc/28/80/00/407288000.db2.gz ZIDZMWLLJWMGFH-CYBMUJFWSA-N 1 0 312.369 1.788 50 0 DDAARO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000097234218 407289403 /nfs/dbraw/zinc/28/94/03/407289403.db2.gz XOVMBTYSMCHMHG-DYVFJYSZSA-N 1 0 312.417 1.980 50 0 DDAARO CC[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)CC[NH2+]1 ZINC000067946828 407291183 /nfs/dbraw/zinc/29/11/83/407291183.db2.gz RQTGLUDDFLENSX-AWEZNQCLSA-N 1 0 324.446 1.369 50 0 DDAARO Cc1ncc(C(=O)NCC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)n1 ZINC000067982829 407292577 /nfs/dbraw/zinc/29/25/77/407292577.db2.gz IUIGBMGDWHAIKS-HNNXBMFYSA-N 1 0 320.437 1.570 50 0 DDAARO COc1ccc(Cn2cc(-c3nc4c([nH]3)C[NH2+]CC4)cn2)cc1 ZINC000097618898 407300268 /nfs/dbraw/zinc/30/02/68/407300268.db2.gz GTCVLXLLINRWDK-UHFFFAOYSA-N 1 0 309.373 1.976 50 0 DDAARO C[N@@H+]1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO ZINC000104331304 407350655 /nfs/dbraw/zinc/35/06/55/407350655.db2.gz AHTTVYVWQHTUSO-MRXNPFEDSA-N 1 0 318.396 1.510 50 0 DDAARO O=C1CN(CCC2OCCO2)CCN1Cc1cccc(F)c1 ZINC000124415044 407357584 /nfs/dbraw/zinc/35/75/84/407357584.db2.gz IQGHYXJUURLFQF-UHFFFAOYSA-N 1 0 308.353 1.233 50 0 DDAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)[C@H]1CCOC1 ZINC000108106770 407381933 /nfs/dbraw/zinc/38/19/33/407381933.db2.gz HPSKVRUQRCWZDL-CRWXNKLISA-N 1 0 304.456 1.061 50 0 DDAARO COc1cc(C[NH2+]CC2(O)CCOCC2)cc(Cl)c1OC ZINC000112717133 407437612 /nfs/dbraw/zinc/43/76/12/407437612.db2.gz MWYZCZDIQNHWKV-UHFFFAOYSA-N 1 0 315.797 1.988 50 0 DDAARO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000195543480 407465388 /nfs/dbraw/zinc/46/53/88/407465388.db2.gz CYUQJCKGOSBDPD-MBNYWOFBSA-N 1 0 312.435 1.214 50 0 DDAARO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(F)ccc(F)c1F ZINC000195567579 407469162 /nfs/dbraw/zinc/46/91/62/407469162.db2.gz UYCFUNHCYBWSSE-JTQLQIEISA-N 1 0 316.323 1.681 50 0 DDAARO CCn1ncnc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000215416644 407484905 /nfs/dbraw/zinc/48/49/05/407484905.db2.gz FXETUSXFLBKSGQ-UHFFFAOYSA-N 1 0 311.433 1.583 50 0 DDAARO CCCOc1ccc(C[N@@H+]2C[C@@H](COC)[C@H](C(N)=O)C2)cc1 ZINC000257188994 407486148 /nfs/dbraw/zinc/48/61/48/407486148.db2.gz NIHSRNCTBBTIRN-GOEBONIOSA-N 1 0 306.406 1.655 50 0 DDAARO O=C(N[C@@H]1C[N@H+](C2CCCCC2)C[C@H]1CO)c1ccncc1 ZINC000257194116 407488562 /nfs/dbraw/zinc/48/85/62/407488562.db2.gz SOOHSMNXNYCQGT-GOEBONIOSA-N 1 0 303.406 1.437 50 0 DDAARO C[C@H](CNC(=O)N[C@@H](C)[C@H](C)CO)[N@@H+]1CCc2ccccc2C1 ZINC000265874232 407493190 /nfs/dbraw/zinc/49/31/90/407493190.db2.gz OVQYGPYBOHXKJZ-KFWWJZLASA-N 1 0 319.449 1.749 50 0 DDAARO COc1ccc(C[NH+]2CCSCC2)cc1Cn1cncn1 ZINC000216309867 407494944 /nfs/dbraw/zinc/49/49/44/407494944.db2.gz QQVFLUVGAOAUFX-UHFFFAOYSA-N 1 0 304.419 1.884 50 0 DDAARO COCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000151816665 407503183 /nfs/dbraw/zinc/50/31/83/407503183.db2.gz DDEHGEGLILIIDQ-OAHLLOKOSA-N 1 0 319.405 1.438 50 0 DDAARO Cc1nnc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)n1C ZINC000253428074 407449622 /nfs/dbraw/zinc/44/96/22/407449622.db2.gz GYHYMPIAFBDFME-QGZVFWFLSA-N 1 0 300.406 1.693 50 0 DDAARO COC1(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CCOCC1 ZINC000170619371 407457009 /nfs/dbraw/zinc/45/70/09/407457009.db2.gz UTZABRHWAOYIHP-UHFFFAOYSA-N 1 0 314.426 1.827 50 0 DDAARO [NH3+]C1CC(c2cc(N3CCN(Cc4cccnc4)CC3)ncn2)C1 ZINC000223742777 407571488 /nfs/dbraw/zinc/57/14/88/407571488.db2.gz DVDJZXNEZCJKNN-UHFFFAOYSA-N 1 0 324.432 1.399 50 0 DDAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000128835773 407576167 /nfs/dbraw/zinc/57/61/67/407576167.db2.gz MUFQFWASWPAJMN-HNNXBMFYSA-N 1 0 314.389 1.347 50 0 DDAARO C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCOCC2)ncn1 ZINC000225487182 407590813 /nfs/dbraw/zinc/59/08/13/407590813.db2.gz CNLKVEIIZLSFGA-HNNXBMFYSA-N 1 0 319.453 1.990 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@](C)(O)c1ccc(C)o1 ZINC000229835843 407672845 /nfs/dbraw/zinc/67/28/45/407672845.db2.gz ZKJFVSISXWAVGF-RHSMWYFYSA-N 1 0 323.437 1.969 50 0 DDAARO CC1(C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]2CCO[C@H]21 ZINC000230088237 407679624 /nfs/dbraw/zinc/67/96/24/407679624.db2.gz FNMGAZGSQSLAFC-RRFJBIMHSA-N 1 0 307.438 1.726 50 0 DDAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000230236348 407683956 /nfs/dbraw/zinc/68/39/56/407683956.db2.gz STWLWRPCRJLLEQ-OWCLPIDISA-N 1 0 315.417 1.511 50 0 DDAARO CCO[C@H]1C[C@](CO)([NH2+]Cc2cnc3ccccn23)C1(C)C ZINC000186588986 407713717 /nfs/dbraw/zinc/71/37/17/407713717.db2.gz AGSJHAVVMBWGCQ-WMLDXEAASA-N 1 0 303.406 1.990 50 0 DDAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000153358557 407806761 /nfs/dbraw/zinc/80/67/61/407806761.db2.gz BFVDPUSLUBPVQB-GOEBONIOSA-N 1 0 310.463 1.879 50 0 DDAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)Cc1cccc2cccnc21 ZINC000238057376 407877912 /nfs/dbraw/zinc/87/79/12/407877912.db2.gz BVUVZXDATYZNHV-CQSZACIVSA-N 1 0 305.403 1.488 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)c1 ZINC000240465833 407906763 /nfs/dbraw/zinc/90/67/63/407906763.db2.gz GAQJRCWEHDBBGM-YNEHKIRRSA-N 1 0 302.382 1.548 50 0 DDAARO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000241588132 407908698 /nfs/dbraw/zinc/90/86/98/407908698.db2.gz OZXTVHULXZRBRS-BZUAXINKSA-N 1 0 311.470 1.957 50 0 DDAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000244875121 407945654 /nfs/dbraw/zinc/94/56/54/407945654.db2.gz XMZIGSIKPBRMBB-NSHDSACASA-N 1 0 324.816 1.037 50 0 DDAARO Cc1cccnc1C[C@@H](C)N(C)CC(=O)Nc1ccn(C)n1 ZINC000244741857 407933633 /nfs/dbraw/zinc/93/36/33/407933633.db2.gz NXZWWFYICMRAOC-CYBMUJFWSA-N 1 0 301.394 1.625 50 0 DDAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000244724054 407935939 /nfs/dbraw/zinc/93/59/39/407935939.db2.gz MMPLLIGMFFONCD-CYBMUJFWSA-N 1 0 303.189 1.838 50 0 DDAARO COCC[N@@H+]1CC[C@H](C(=O)NCc2nc3c(cccc3C)[nH]2)C1 ZINC000244874525 407942188 /nfs/dbraw/zinc/94/21/88/407942188.db2.gz XCVJCAIYLNHXCS-ZDUSSCGKSA-N 1 0 316.405 1.456 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1 ZINC000151027472 408243328 /nfs/dbraw/zinc/24/33/28/408243328.db2.gz PYDOJOSCACEKRU-GFCCVEGCSA-N 1 0 316.409 1.251 50 0 DDAARO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156834835 408275890 /nfs/dbraw/zinc/27/58/90/408275890.db2.gz IVABOFKENFSZIF-ZIAGYGMSSA-N 1 0 306.406 1.968 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000247009565 408388157 /nfs/dbraw/zinc/38/81/57/408388157.db2.gz FTNOAGDJAFQXCS-DOMZBBRYSA-N 1 0 312.410 1.824 50 0 DDAARO O[C@@H](C[N@@H+]1CCC[C@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000247764024 408508675 /nfs/dbraw/zinc/50/86/75/408508675.db2.gz JHPPNDTYYQPLSJ-WFASDCNBSA-N 1 0 308.332 1.754 50 0 DDAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCSCc2ccccc2)C1 ZINC000252485064 408797635 /nfs/dbraw/zinc/79/76/35/408797635.db2.gz GNDDFGUIWCBNLL-MRXNPFEDSA-N 1 0 321.490 1.672 50 0 DDAARO CC(C)(C)n1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000252492211 408798304 /nfs/dbraw/zinc/79/83/04/408798304.db2.gz MFOAJGUXDUYBKI-AWEZNQCLSA-N 1 0 321.469 1.624 50 0 DDAARO COC(=O)c1cccc(CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC000252508296 408802240 /nfs/dbraw/zinc/80/22/40/408802240.db2.gz XJKOFCSYKGJQGO-UHFFFAOYSA-N 1 0 316.401 1.760 50 0 DDAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cnc[nH]1 ZINC000299777078 410620693 /nfs/dbraw/zinc/62/06/93/410620693.db2.gz ILFKQRAZHNGPRA-UHFFFAOYSA-N 1 0 300.362 1.510 50 0 DDAARO CC(=O)c1ccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000299776666 410620788 /nfs/dbraw/zinc/62/07/88/410620788.db2.gz CGRFUJUTBQDYNF-INIZCTEOSA-N 1 0 316.405 1.401 50 0 DDAARO CCOc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)cc1 ZINC000299784519 410626869 /nfs/dbraw/zinc/62/68/69/410626869.db2.gz UARIWAZKXUIZDR-IRXDYDNUSA-N 1 0 320.433 1.852 50 0 DDAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC(F)CC2)c1 ZINC000299795471 410634070 /nfs/dbraw/zinc/63/40/70/410634070.db2.gz MEIOPGJCTDBBSX-UHFFFAOYSA-N 1 0 310.369 1.997 50 0 DDAARO O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299800070 410639226 /nfs/dbraw/zinc/63/92/26/410639226.db2.gz VNKLPMJREKSEOI-GHMZBOCLSA-N 1 0 321.274 1.689 50 0 DDAARO Cc1ccc(C(=O)NCC[C@@H]2CCOC2)cc1OCCC[NH3+] ZINC000299802909 410641591 /nfs/dbraw/zinc/64/15/91/410641591.db2.gz SBLNIXHOEUXPJN-CQSZACIVSA-N 1 0 306.406 1.879 50 0 DDAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCNC(N)=O ZINC000131606916 196183539 /nfs/dbraw/zinc/18/35/39/196183539.db2.gz GLWPLXVIBKAEHD-AWEZNQCLSA-N 1 0 318.421 1.168 50 0 DDAARO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)Cn1cccn1 ZINC000044975251 418436078 /nfs/dbraw/zinc/43/60/78/418436078.db2.gz NKDKGYWQTCHUTQ-CQSZACIVSA-N 1 0 303.362 1.495 50 0 DDAARO COc1cccc(COCC(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000046781389 418449039 /nfs/dbraw/zinc/44/90/39/418449039.db2.gz XPTVIYSDNYRAGK-AWEZNQCLSA-N 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/nfs/dbraw/zinc/30/52/06/422305206.db2.gz LHKVZFMQCUVCLF-UHFFFAOYSA-N 1 0 317.433 1.688 50 0 DDAARO CCCc1nc2c(C)nn(CC)c2c(N2CC[NH+](C)CC2)n1 ZINC000072237840 276057277 /nfs/dbraw/zinc/05/72/77/276057277.db2.gz YJDIHMLRCFUKRZ-UHFFFAOYSA-N 1 0 302.426 1.859 50 0 DDAARO Cn1cc(/C=C/C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000032729459 276817732 /nfs/dbraw/zinc/81/77/32/276817732.db2.gz RXBMULXWBFPTQF-WAVCKPEOSA-N 1 0 316.380 1.992 50 0 DDAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)c2ccc[nH]2)CC1 ZINC000223685751 277106757 /nfs/dbraw/zinc/10/67/57/277106757.db2.gz MPWVYGJEYDGWQZ-OAHLLOKOSA-N 1 0 304.438 1.647 50 0 DDAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000030656182 277495541 /nfs/dbraw/zinc/49/55/41/277495541.db2.gz UOIAEFRGKIPOBL-UHFFFAOYSA-N 1 0 302.827 1.854 50 0 DDAARO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000195531516 278146772 /nfs/dbraw/zinc/14/67/72/278146772.db2.gz IHKVUZUROZRKCY-XJFOESAGSA-N 1 0 300.468 1.838 50 0 DDAARO CC1(C)CC(NC(=O)C(=O)NC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000003165804 278189574 /nfs/dbraw/zinc/18/95/74/278189574.db2.gz XXUDBXHTJQNTOX-UHFFFAOYSA-N 1 0 309.454 1.861 50 0 DDAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000328596798 279196739 /nfs/dbraw/zinc/19/67/39/279196739.db2.gz ABRAFAIJQDNPBU-PSASIEDQSA-N 1 0 320.846 1.130 50 0 DDAARO CC[N@H+](CCNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000252668214 279201180 /nfs/dbraw/zinc/20/11/80/279201180.db2.gz DYQYRKWEJKVIIJ-RBSFLKMASA-N 1 0 309.454 1.974 50 0 DDAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000190024764 279504326 /nfs/dbraw/zinc/50/43/26/279504326.db2.gz NLKMFQOSLMISCQ-TUKIKUTGSA-N 1 0 324.446 1.785 50 0 DDAARO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c2cnn(C)c2n1 ZINC000121861811 280323556 /nfs/dbraw/zinc/32/35/56/280323556.db2.gz VFTSJTLPDKROMO-BXUZGUMPSA-N 1 0 301.394 1.619 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c2cnn(C)c2n1 ZINC000237637493 280327098 /nfs/dbraw/zinc/32/70/98/280327098.db2.gz YXNSNFANUMIPNT-IINYFYTJSA-N 1 0 301.394 1.476 50 0 DDAARO CC[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000096447220 288264052 /nfs/dbraw/zinc/26/40/52/288264052.db2.gz BRRMUZJKUYWDQS-JSGCOSHPSA-N 1 0 309.414 1.476 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000299738675 297016975 /nfs/dbraw/zinc/01/69/75/297016975.db2.gz FDSKAGICGALHML-LEOABGAYSA-N 1 0 309.454 1.214 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357347028 306877468 /nfs/dbraw/zinc/87/74/68/306877468.db2.gz SYEUDXOARXNFLE-CYBMUJFWSA-N 1 0 324.446 1.742 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000178581926 303409827 /nfs/dbraw/zinc/40/98/27/303409827.db2.gz CZIHLVJJCFRWIE-BBRMVZONSA-N 1 0 321.396 1.006 50 0 DDAARO [NH3+][C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H]1C1CC1 ZINC000091663020 303490231 /nfs/dbraw/zinc/49/02/31/303490231.db2.gz SUWPGYMMSGNQQG-KGLIPLIRSA-N 1 0 302.374 1.544 50 0 DDAARO Cc1cc(Sc2nnc(C[NH3+])n2C)nc(N2CCCCC2)n1 ZINC000534583427 334290118 /nfs/dbraw/zinc/29/01/18/334290118.db2.gz VGQHOIYMLVCVCV-UHFFFAOYSA-N 1 0 319.438 1.514 50 0 DDAARO CC[C@@H](C[NH+](C)C)NC(=O)N1CCOc2ccc(CO)cc2C1 ZINC000534649812 334317002 /nfs/dbraw/zinc/31/70/02/334317002.db2.gz DXZVZBMSWFVPGV-HNNXBMFYSA-N 1 0 321.421 1.423 50 0 DDAARO Cc1cc([C@@H]2CCC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)[nH]n1 ZINC000084111304 483988501 /nfs/dbraw/zinc/98/85/01/483988501.db2.gz MSUXANOHJCBKRM-GFCCVEGCSA-N 1 0 312.377 1.434 50 0 DDAARO CCSC[C@H](C)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085824101 484002837 /nfs/dbraw/zinc/00/28/37/484002837.db2.gz UAVHHAHWCZRUSI-STQMWFEESA-N 1 0 308.513 1.731 50 0 DDAARO CC(C)[N@@H+]1CC[C@@H](CN(C)c2cncc(C(=O)N(C)C)n2)C1 ZINC000670434387 484827753 /nfs/dbraw/zinc/82/77/53/484827753.db2.gz WWARRCLKYPGEFZ-ZDUSSCGKSA-N 1 0 305.426 1.345 50 0 DDAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ncnn1C ZINC000670449193 484835995 /nfs/dbraw/zinc/83/59/95/484835995.db2.gz HPUKWGLMCJZSHH-LLVKDONJSA-N 1 0 303.366 1.495 50 0 DDAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000670450023 484837148 /nfs/dbraw/zinc/83/71/48/484837148.db2.gz UAANZTYCYUPLJL-ITGUQSILSA-N 1 0 305.403 1.898 50 0 DDAARO CC(=O)N1CC[N@@H+](Cc2ccc(CC(C)C)s2)C[C@@H](O)C1 ZINC000670449782 484837693 /nfs/dbraw/zinc/83/76/93/484837693.db2.gz HNBNMYZLWWQWBV-CQSZACIVSA-N 1 0 310.463 1.972 50 0 DDAARO C[C@H]([NH2+]C1CCN(C(=O)c2ccccn2)CC1)c1nncn1C ZINC000670473709 484850573 /nfs/dbraw/zinc/85/05/73/484850573.db2.gz BCAYIVABWGGWCZ-LBPRGKRZSA-N 1 0 314.393 1.166 50 0 DDAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121171684 490621924 /nfs/dbraw/zinc/62/19/24/490621924.db2.gz FVGKDJRJARWTHW-AWEZNQCLSA-N 1 0 303.410 1.595 50 0 DDAARO COC(=O)c1oc([C@H](C)N2C[C@@H]3[C@H](C2)OCCN3C)cc1C ZINC000222121364 490698909 /nfs/dbraw/zinc/69/89/09/490698909.db2.gz VKWUHDPWPPZFCP-SCRDCRAPSA-N 1 0 308.378 1.450 50 0 DDAARO O=C(COC[C@@H]1CCC[NH2+]C1)NCc1nc2cc(F)ccc2[nH]1 ZINC000170063577 545648121 /nfs/dbraw/zinc/64/81/21/545648121.db2.gz NOCCNPSXLOOGBN-LLVKDONJSA-N 1 0 320.368 1.334 50 0 DDAARO Cc1ccccc1C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(C)C1=O ZINC000067788835 696364188 /nfs/dbraw/zinc/36/41/88/696364188.db2.gz YNCLIQSDPVCMKF-KRWDZBQOSA-N 1 0 301.390 1.458 50 0 DDAARO C[N@H+](CC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1)C1CCCC1 ZINC000091988412 696592152 /nfs/dbraw/zinc/59/21/52/696592152.db2.gz BCBVFUHNRCUMFT-OAHLLOKOSA-N 1 0 317.433 1.640 50 0 DDAARO Cc1noc(C)c1CN1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000169751119 697343848 /nfs/dbraw/zinc/34/38/48/697343848.db2.gz XRJHQQZFHCTHFH-HNNXBMFYSA-N 1 0 320.437 1.325 50 0 DDAARO Cc1noc(C)c1CN1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000169751747 697343903 /nfs/dbraw/zinc/34/39/03/697343903.db2.gz HQOVVITYGODMGA-UHFFFAOYSA-N 1 0 320.437 1.325 50 0 DDAARO COc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)N(C)C(=O)N3C)c1 ZINC000169783478 697345417 /nfs/dbraw/zinc/34/54/17/697345417.db2.gz YLJXSCZLNXQTLR-MRXNPFEDSA-N 1 0 303.362 1.164 50 0 DDAARO CN1C[C@@H](C[NH+](C)C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000169790618 697346781 /nfs/dbraw/zinc/34/67/81/697346781.db2.gz WSRWITZYBYXCDH-CZUORRHYSA-N 1 0 300.406 1.390 50 0 DDAARO Cc1cc(N)nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)[nH+]1 ZINC000871100859 704217529 /nfs/dbraw/zinc/21/75/29/704217529.db2.gz CHBBRRDIIIRNRO-UHFFFAOYSA-N 1 0 317.437 1.842 50 0 DDAARO COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834594014 707091455 /nfs/dbraw/zinc/09/14/55/707091455.db2.gz OCNAUKAYURTZQT-RWMBFGLXSA-N 1 0 302.415 1.371 50 0 DDAARO CC(C)[C@@H](O)C[NH2+]C1(CO)CCN(Cc2ccccc2)CC1 ZINC000888095574 709211988 /nfs/dbraw/zinc/21/19/88/709211988.db2.gz OHHCQBHDMMEDQA-KRWDZBQOSA-N 1 0 306.450 1.620 50 0 DDAARO Cc1nc([C@H]([NH3+])C2(O)CCN(C(=O)OC(C)(C)C)CC2)cn1C ZINC000958528254 716612085 /nfs/dbraw/zinc/61/20/85/716612085.db2.gz LMQXXQDFYCUODE-ZDUSSCGKSA-N 1 0 324.425 1.490 50 0 DDAARO [NH3+]C1(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)CCCC1 ZINC000952969246 721529325 /nfs/dbraw/zinc/52/93/25/721529325.db2.gz 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ZINC000952883370 775643335 /nfs/dbraw/zinc/64/33/35/775643335.db2.gz LRNNZDCDKNIQIR-KCPJHIHWSA-N 1 0 322.380 1.826 50 0 DDAARO Cc1nc(NC(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)nn1C ZINC000048428369 863248247 /nfs/dbraw/zinc/24/82/47/863248247.db2.gz ZSBDLVNCYZBJLS-ZDUSSCGKSA-N 1 0 306.414 1.463 50 0 DDAARO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058296097 282131277 /nfs/dbraw/zinc/13/12/77/282131277.db2.gz PBHCWQIBZUJFIH-SJORKVTESA-N 1 0 313.449 1.687 50 0 DDAARO C[C@@H](CNC(=O)NCCc1cccs1)C[NH+]1CCN(C)CC1 ZINC000078869501 185120944 /nfs/dbraw/zinc/12/09/44/185120944.db2.gz MKLNVIGNBNGPAN-AWEZNQCLSA-N 1 0 324.494 1.473 50 0 DDAARO COCc1nc(CNc2cc(C)[nH+]c(N3CCCCC3)n2)no1 ZINC000065531422 539033076 /nfs/dbraw/zinc/03/30/76/539033076.db2.gz ZYAGKWZYQCIQJF-UHFFFAOYSA-N 1 0 318.381 1.917 50 0 DDAARO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000614969359 362097767 /nfs/dbraw/zinc/09/77/67/362097767.db2.gz XRHHAPSYCICDLI-CQSZACIVSA-N 1 0 321.465 1.578 50 0 DDAARO Cc1noc(C)c1CCC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082096341 192355291 /nfs/dbraw/zinc/35/52/91/192355291.db2.gz XRWKAYMONKOBCV-UHFFFAOYSA-N 1 0 317.393 1.230 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)C1 ZINC000095407642 185356096 /nfs/dbraw/zinc/35/60/96/185356096.db2.gz VNTPSWWYDCOCES-XHSDSOJGSA-N 1 0 319.453 1.960 50 0 DDAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cnc(N3CCCC3)nc1)CC2 ZINC000097199398 282363181 /nfs/dbraw/zinc/36/31/81/282363181.db2.gz DPRQQSYPXCYHNC-CQSZACIVSA-N 1 0 313.409 1.081 50 0 DDAARO CC[N@H+](Cc1ccc(C(=O)NCCn2ccnn2)cc1)C(C)C ZINC000584908501 539555643 /nfs/dbraw/zinc/55/56/43/539555643.db2.gz IHXDGTOUZRTBSU-UHFFFAOYSA-N 1 0 315.421 1.938 50 0 DDAARO CCN(C(=O)C[NH2+][C@@H]1CCc2ncnn2C1)C1=CCCCC1 ZINC000069894920 190834967 /nfs/dbraw/zinc/83/49/67/190834967.db2.gz HMAULVGBWMVXFM-CYBMUJFWSA-N 1 0 303.410 1.489 50 0 DDAARO COc1ccc2cc([C@H]3CN(C(=O)C[NH3+])CCO3)ccc2c1 ZINC000071682236 191006441 /nfs/dbraw/zinc/00/64/41/191006441.db2.gz 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191162286 /nfs/dbraw/zinc/16/22/86/191162286.db2.gz UVUNPIMWBKZZCI-INIZCTEOSA-N 1 0 319.430 1.633 50 0 DDAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000072299761 353197116 /nfs/dbraw/zinc/19/71/16/353197116.db2.gz LTZATHKFLSTRFA-GXSJLCMTSA-N 1 0 318.343 1.937 50 0 DDAARO Cc1cc([C@@](C)(O)CNC(=O)NCC(C)(C)[NH+](C)C)c(C)o1 ZINC000073488047 353254353 /nfs/dbraw/zinc/25/43/53/353254353.db2.gz BLPNACHYXHNJAE-INIZCTEOSA-N 1 0 311.426 1.743 50 0 DDAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000076021855 353391265 /nfs/dbraw/zinc/39/12/65/353391265.db2.gz SELVWZAQFWFVHV-KFWWJZLASA-N 1 0 324.469 1.179 50 0 DDAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000075605728 353370753 /nfs/dbraw/zinc/37/07/53/353370753.db2.gz YJFLVBKPJCYARX-QWHCGFSZSA-N 1 0 323.828 1.776 50 0 DDAARO COc1cccc2c1OC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)C2 ZINC000078894547 353537738 /nfs/dbraw/zinc/53/77/38/353537738.db2.gz PMWXJEQUOTVXHZ-YUELXQCFSA-N 1 0 318.417 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C[C@H]1CN(Cc2ccccc2CNC(=O)C2([NH3+])CC2)C[C@H](C)O1 ZINC000237617541 202306619 /nfs/dbraw/zinc/30/66/19/202306619.db2.gz VYBCANYKKCXZJF-KBPBESRZSA-N 1 0 317.433 1.403 50 0 DDAARO Cn1cc([C@]2(C)CN(C(=O)[C@H]([NH3+])c3ccccc3)CCO2)cn1 ZINC000237714307 202336860 /nfs/dbraw/zinc/33/68/60/202336860.db2.gz LUTBIOTVFXCFHG-WBVHZDCISA-N 1 0 314.389 1.194 50 0 DDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000237964509 283499494 /nfs/dbraw/zinc/49/94/94/283499494.db2.gz RJYQIDDYZIZQNK-LLVKDONJSA-N 1 0 305.407 1.341 50 0 DDAARO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnc2sccn2c1=O ZINC000237930475 202394699 /nfs/dbraw/zinc/39/46/99/202394699.db2.gz OSEFVVWWIXJBDF-GXSJLCMTSA-N 1 0 306.391 1.003 50 0 DDAARO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S2 ZINC000006216458 181320261 /nfs/dbraw/zinc/32/02/61/181320261.db2.gz YHDSSCAMKRDFDJ-AWEZNQCLSA-N 1 0 321.446 1.866 50 0 DDAARO CN1CCN(C(=O)c2csc(CC[NH3+])n2)c2ccc(F)cc21 ZINC000194840727 201298832 /nfs/dbraw/zinc/29/88/32/201298832.db2.gz 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O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC(=O)N1 ZINC000065437611 184345344 /nfs/dbraw/zinc/34/53/44/184345344.db2.gz QIKDEHRWGBSHGR-QWHCGFSZSA-N 1 0 305.378 1.201 50 0 DDAARO C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065444412 184346194 /nfs/dbraw/zinc/34/61/94/184346194.db2.gz YUJYLBNROLPDEY-HUUCEWRRSA-N 1 0 305.426 1.541 50 0 DDAARO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000065459484 184348232 /nfs/dbraw/zinc/34/82/32/184348232.db2.gz XDWMMCMMIHCQMU-JKSUJKDBSA-N 1 0 315.417 1.246 50 0 DDAARO O=C(C[NH2+]Cc1c[nH]nc1-c1cccnc1)NCc1ccco1 ZINC000065479616 184352312 /nfs/dbraw/zinc/35/23/12/184352312.db2.gz NTVXSBORSAUZRF-UHFFFAOYSA-N 1 0 311.345 1.471 50 0 DDAARO Cc1cccc([C@H]2C[C@H]2C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000065611170 184373103 /nfs/dbraw/zinc/37/31/03/184373103.db2.gz PDVJBYFBSLJMSL-IAGOWNOFSA-N 1 0 301.434 1.462 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000269205519 207323504 /nfs/dbraw/zinc/32/35/04/207323504.db2.gz CPVIMABXGXXSDL-LOWVWBTDSA-N 1 0 321.808 1.689 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000158993302 197316644 /nfs/dbraw/zinc/31/66/44/197316644.db2.gz FFKPEKKASUCBHK-ZDUSSCGKSA-N 1 0 316.405 1.288 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000158496006 197278136 /nfs/dbraw/zinc/27/81/36/197278136.db2.gz UPQVUGLIWDBXAA-JKSUJKDBSA-N 1 0 321.396 1.149 50 0 DDAARO CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000155264584 197037423 /nfs/dbraw/zinc/03/74/23/197037423.db2.gz GAEIQFXTXNFDGU-YOEHRIQHSA-N 1 0 315.417 1.076 50 0 DDAARO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000358782690 257235899 /nfs/dbraw/zinc/23/58/99/257235899.db2.gz AQVFVNFFIJOGFY-DGCLKSJQSA-N 1 0 321.377 1.534 50 0 DDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000237359106 257239360 /nfs/dbraw/zinc/23/93/60/257239360.db2.gz UUXKMYYZASPRTG-HIFRSBDPSA-N 1 0 313.401 1.730 50 0 DDAARO O[C@H](Cc1ccccc1)C1CC[NH+](CCn2cncn2)CC1 ZINC000019112972 285358991 /nfs/dbraw/zinc/35/89/91/285358991.db2.gz YWYMXTXPNKKDNN-QGZVFWFLSA-N 1 0 300.406 1.594 50 0 DDAARO CCOCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OC ZINC000072432259 286026041 /nfs/dbraw/zinc/02/60/41/286026041.db2.gz RNPLOHODWHJACT-SJORKVTESA-N 1 0 318.417 1.530 50 0 DDAARO NC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757592 406658077 /nfs/dbraw/zinc/65/80/77/406658077.db2.gz WYUWZNBZRIKZDR-KRWDZBQOSA-N 1 0 315.461 1.891 50 0 DDAARO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)NC1CCOCC1 ZINC000069632198 406748404 /nfs/dbraw/zinc/74/84/04/406748404.db2.gz PKLQSYFZVLIZQS-OAHLLOKOSA-N 1 0 306.410 1.033 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)c1 ZINC000069656175 406750690 /nfs/dbraw/zinc/75/06/90/406750690.db2.gz RAWZIRNSUYGNDJ-KBPBESRZSA-N 1 0 304.394 1.982 50 0 DDAARO Cc1nn2cccnc2c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069659180 406751999 /nfs/dbraw/zinc/75/19/99/406751999.db2.gz IXXZJDJMZPIBPX-KGLIPLIRSA-N 1 0 313.405 1.737 50 0 DDAARO c1cnnc(N2CCC[C@H]([NH2+]Cc3cccc4c3OCO4)C2)c1 ZINC000069737727 406761802 /nfs/dbraw/zinc/76/18/02/406761802.db2.gz LYJKZJCCYRLWFB-AWEZNQCLSA-N 1 0 312.373 1.964 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)no1 ZINC000069738796 406762595 /nfs/dbraw/zinc/76/25/95/406762595.db2.gz UPTHENIZKLCUGW-CYBMUJFWSA-N 1 0 318.381 1.315 50 0 DDAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000069739210 406763952 /nfs/dbraw/zinc/76/39/52/406763952.db2.gz AKDMZVRXJPFSBN-HOTGVXAUSA-N 1 0 312.417 1.962 50 0 DDAARO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000007709729 406767608 /nfs/dbraw/zinc/76/76/08/406767608.db2.gz JTDOGGUZBKPLSU-UHFFFAOYSA-N 1 0 300.399 1.980 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000069413728 406706200 /nfs/dbraw/zinc/70/62/00/406706200.db2.gz URJRWLCYFFNKPS-HNNXBMFYSA-N 1 0 312.417 1.709 50 0 DDAARO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(CO)c1 ZINC000003130409 406710215 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C[C@@H](C(=O)NCc1ccco1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069950726 406793836 /nfs/dbraw/zinc/79/38/36/406793836.db2.gz HOJWIKUGQYYXDS-KBPBESRZSA-N 1 0 317.393 1.288 50 0 DDAARO CCOc1nnc(CN(C)CC2CC[NH+](CCO)CC2)s1 ZINC000070011711 406801010 /nfs/dbraw/zinc/80/10/10/406801010.db2.gz LAUFOFZKWFJUSN-UHFFFAOYSA-N 1 0 314.455 1.073 50 0 DDAARO CC[C@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1CCOC ZINC000069972570 406799143 /nfs/dbraw/zinc/79/91/43/406799143.db2.gz BPUNOXKRXDWLAQ-KBPBESRZSA-N 1 0 324.425 1.353 50 0 DDAARO O=C(c1cccs1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996307 406799351 /nfs/dbraw/zinc/79/93/51/406799351.db2.gz UJHLXYAWZABZGS-UHFFFAOYSA-N 1 0 302.403 1.748 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2noc(C3CC3)n2)C[C@H]1CC ZINC000069972468 406799451 /nfs/dbraw/zinc/79/94/51/406799451.db2.gz ZLSGLDRBYMRERJ-CQSZACIVSA-N 1 0 308.426 1.880 50 0 DDAARO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCOc1ccccc1 ZINC000011185364 406825258 /nfs/dbraw/zinc/82/52/58/406825258.db2.gz MFOSPCBIMAVHHQ-GFCCVEGCSA-N 1 0 305.378 1.374 50 0 DDAARO C[NH+]1CCC(CCNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000071375828 406838502 /nfs/dbraw/zinc/83/85/02/406838502.db2.gz FJASTQZHCLNUHP-INIZCTEOSA-N 1 0 304.390 1.675 50 0 DDAARO CC(C)[C@@H](C(=O)NCCCC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000071826794 406848730 /nfs/dbraw/zinc/84/87/30/406848730.db2.gz KKAOPJQGSNINJP-KRWDZBQOSA-N 1 0 317.433 1.451 50 0 DDAARO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000071862783 406855137 /nfs/dbraw/zinc/85/51/37/406855137.db2.gz RXJGPSDJGDVBNL-WFASDCNBSA-N 1 0 316.405 1.550 50 0 DDAARO COC(=O)CC[N@@H+](CC(=O)NCc1cccnc1)CC(C)C ZINC000071893080 406862363 /nfs/dbraw/zinc/86/23/63/406862363.db2.gz AVTWPBOBLVUXSO-UHFFFAOYSA-N 1 0 307.394 1.219 50 0 DDAARO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1cccc(O)c1)[N@@H+]2C ZINC000013606134 406863964 /nfs/dbraw/zinc/86/39/64/406863964.db2.gz IQXBUEUAOWARGT-PMOUVXMZSA-N 1 0 319.357 1.573 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1 ZINC000071913574 406867074 /nfs/dbraw/zinc/86/70/74/406867074.db2.gz SELRYVYWYUYBEQ-HNNXBMFYSA-N 1 0 306.410 1.334 50 0 DDAARO Cc1cnn(CC[NH2+]CC(=O)NCCc2c(F)cccc2F)c1 ZINC000072253144 406874461 /nfs/dbraw/zinc/87/44/61/406874461.db2.gz WZORXWOSNSOLSG-UHFFFAOYSA-N 1 0 322.359 1.418 50 0 DDAARO Cn1ncc2c1nc(-c1ccncc1)nc2N1CC[C@@H](C[NH3+])C1 ZINC000072162202 406874492 /nfs/dbraw/zinc/87/44/92/406874492.db2.gz MGYOABYSZYBKJM-NSHDSACASA-N 1 0 309.377 1.210 50 0 DDAARO O=C(Cc1ccc(F)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269095 406876095 /nfs/dbraw/zinc/87/60/95/406876095.db2.gz WMIJPUOGBLFERP-JKSUJKDBSA-N 1 0 306.381 1.426 50 0 DDAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3C2)cc1 ZINC000014733570 406876296 /nfs/dbraw/zinc/87/62/96/406876296.db2.gz YYFHXCJIJUWLKG-JYJNAYRXSA-N 1 0 313.401 1.059 50 0 DDAARO O=C(CCCc1ccccn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269915 406877057 /nfs/dbraw/zinc/87/70/57/406877057.db2.gz YRLMYZCLKYHLIV-IAGOWNOFSA-N 1 0 317.433 1.462 50 0 DDAARO CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000072310138 406880519 /nfs/dbraw/zinc/88/05/19/406880519.db2.gz NLXXAJZFVOKYJU-HUUCEWRRSA-N 1 0 309.454 1.626 50 0 DDAARO Nc1cc(-c2cccc(-c3cc[nH]n3)c2)nc(N2CCOCC2)n1 ZINC000020860805 406887508 /nfs/dbraw/zinc/88/75/08/406887508.db2.gz UODUEZCYYQQGPI-UHFFFAOYSA-N 1 0 322.372 1.953 50 0 DDAARO CS(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907125 406890779 /nfs/dbraw/zinc/89/07/79/406890779.db2.gz AVKAVSJOJWVYSY-OAHLLOKOSA-N 1 0 320.414 1.928 50 0 DDAARO NC(=O)NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026113839 406902032 /nfs/dbraw/zinc/90/20/32/406902032.db2.gz CPBGREHTHAAFTM-UHFFFAOYSA-N 1 0 305.378 1.232 50 0 DDAARO Cc1noc(CCCC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)n1 ZINC000075130748 406923337 /nfs/dbraw/zinc/92/33/37/406923337.db2.gz NHGBMOFJYKVZLE-KGLIPLIRSA-N 1 0 306.410 1.786 50 0 DDAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000029455294 406923466 /nfs/dbraw/zinc/92/34/66/406923466.db2.gz JJWUUVGSHVYZDN-UHFFFAOYSA-N 1 0 312.435 1.800 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000075130742 406923847 /nfs/dbraw/zinc/92/38/47/406923847.db2.gz SXIAAWLRRVPGNY-GJZGRUSLSA-N 1 0 302.422 1.846 50 0 DDAARO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000029852909 406928267 /nfs/dbraw/zinc/92/82/67/406928267.db2.gz WITGWLBBLDHOBW-ZDUSSCGKSA-N 1 0 307.394 1.622 50 0 DDAARO CC(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+](C)C ZINC000030610600 406933363 /nfs/dbraw/zinc/93/33/63/406933363.db2.gz AGYBKQAZUNTTTI-OAHLLOKOSA-N 1 0 316.405 1.099 50 0 DDAARO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc(F)c1 ZINC000032804007 406953726 /nfs/dbraw/zinc/95/37/26/406953726.db2.gz DHKKCFDOUKCGTO-LBPRGKRZSA-N 1 0 300.337 1.986 50 0 DDAARO C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044954829 407035823 /nfs/dbraw/zinc/03/58/23/407035823.db2.gz MITLPANIIXEMSU-OCCSQVGLSA-N 1 0 321.450 1.935 50 0 DDAARO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000045521823 407045418 /nfs/dbraw/zinc/04/54/18/407045418.db2.gz UCKAAXSDQKDVIT-UONOGXRCSA-N 1 0 304.394 1.516 50 0 DDAARO C[C@H]1Sc2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2NC1=O ZINC000084678170 407093308 /nfs/dbraw/zinc/09/33/08/407093308.db2.gz OTJAOZUUQUIULS-SNVBAGLBSA-N 1 0 319.430 1.943 50 0 DDAARO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(OC)cc1 ZINC000084800649 407094707 /nfs/dbraw/zinc/09/47/07/407094707.db2.gz LSQPDLCFJYCZPW-INIZCTEOSA-N 1 0 308.422 1.711 50 0 DDAARO Cc1nc(C(=O)NC[C@@H](C)[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000046272833 407059078 /nfs/dbraw/zinc/05/90/78/407059078.db2.gz ZNYJXOFNGBYCKX-SNVBAGLBSA-N 1 0 305.357 1.395 50 0 DDAARO Cc1nc2ncccn2c1C(=O)N1CCCC[C@H]([NH+](C)C)C1 ZINC000082096193 407080679 /nfs/dbraw/zinc/08/06/79/407080679.db2.gz ZOEDYUDAMADIAE-ZDUSSCGKSA-N 1 0 301.394 1.594 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000050242283 407129934 /nfs/dbraw/zinc/12/99/34/407129934.db2.gz FMCVMXKXIRQZDG-QMMMGPOBSA-N 1 0 310.297 1.307 50 0 DDAARO CCNC(=O)c1c(NC(=O)[C@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000055100424 407194988 /nfs/dbraw/zinc/19/49/88/407194988.db2.gz GNKWLHZKVGZCCY-JTQLQIEISA-N 1 0 321.446 1.925 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCc3ccccc3C2)C1=O ZINC000051112607 407136582 /nfs/dbraw/zinc/13/65/82/407136582.db2.gz QSWSRZQYNBRKAQ-UHFFFAOYSA-N 1 0 301.390 1.765 50 0 DDAARO OCC[NH+]1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000051210579 407137595 /nfs/dbraw/zinc/13/75/95/407137595.db2.gz YGTSSTXAEXPENE-UHFFFAOYSA-N 1 0 305.809 1.998 50 0 DDAARO Cc1[nH]nc2ncc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)cc12 ZINC000089568206 407140132 /nfs/dbraw/zinc/14/01/32/407140132.db2.gz JNVDKAHKJMXQSK-AWEZNQCLSA-N 1 0 323.404 1.815 50 0 DDAARO O[C@H](Cn1cccn1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000051536450 407140681 /nfs/dbraw/zinc/14/06/81/407140681.db2.gz UPPLJLICZRJATF-INIZCTEOSA-N 1 0 320.824 1.720 50 0 DDAARO Cc1cccc(OCCNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089677755 407143065 /nfs/dbraw/zinc/14/30/65/407143065.db2.gz ONGHQIGPHJWDAS-HNNXBMFYSA-N 1 0 305.422 1.126 50 0 DDAARO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000089702324 407144072 /nfs/dbraw/zinc/14/40/72/407144072.db2.gz OWCFWENRMFDEID-HNNXBMFYSA-N 1 0 317.393 1.303 50 0 DDAARO Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1=O ZINC000051908912 407144585 /nfs/dbraw/zinc/14/45/85/407144585.db2.gz ZPURDBHNXMNXOM-HNNXBMFYSA-N 1 0 303.406 1.124 50 0 DDAARO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216571 407149305 /nfs/dbraw/zinc/14/93/05/407149305.db2.gz QMPWJJJUHXGUOO-AWEZNQCLSA-N 1 0 322.453 1.267 50 0 DDAARO O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000089827785 407152565 /nfs/dbraw/zinc/15/25/65/407152565.db2.gz QZKJDCFNRIBIOR-YJBOKZPZSA-N 1 0 313.401 1.940 50 0 DDAARO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CN1C ZINC000090914450 407172256 /nfs/dbraw/zinc/17/22/56/407172256.db2.gz XZZBGJNNIZOVPK-UBDQQSCGSA-N 1 0 303.450 1.304 50 0 DDAARO CO[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000096403432 407259708 /nfs/dbraw/zinc/25/97/08/407259708.db2.gz VXOGGOYDEQVCLP-ZBFHGGJFSA-N 1 0 305.422 1.126 50 0 DDAARO CC[NH+]1CCC(CC(=O)NCc2cnc(SC)n2C)CC1 ZINC000095354488 407208104 /nfs/dbraw/zinc/20/81/04/407208104.db2.gz CNCFUHIAERCNKS-UHFFFAOYSA-N 1 0 310.467 1.880 50 0 DDAARO CCOCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095352185 407208290 /nfs/dbraw/zinc/20/82/90/407208290.db2.gz SBWFWQLVQRSQLC-DLBZAZTESA-N 1 0 317.433 1.931 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nc(CSC)no2)C1 ZINC000095371121 407210375 /nfs/dbraw/zinc/21/03/75/407210375.db2.gz DMRNJSLHELAXMA-CQSZACIVSA-N 1 0 312.439 1.671 50 0 DDAARO Cc1cc(C)nc(CCNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000095381404 407212388 /nfs/dbraw/zinc/21/23/88/407212388.db2.gz BRDUWRAUXMQQDI-HNNXBMFYSA-N 1 0 304.438 1.874 50 0 DDAARO Cc1ccc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)nn1 ZINC000095528962 407214429 /nfs/dbraw/zinc/21/44/29/407214429.db2.gz XOZFFRCFCQILDZ-AWEZNQCLSA-N 1 0 314.393 1.724 50 0 DDAARO CSc1ncc(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)n1C ZINC000095531545 407214529 /nfs/dbraw/zinc/21/45/29/407214529.db2.gz PFGHXQNUXJLZJW-LBPRGKRZSA-N 1 0 310.467 1.879 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)s1 ZINC000095939900 407214893 /nfs/dbraw/zinc/21/48/93/407214893.db2.gz WDMFVCDNFOARKC-UHFFFAOYSA-N 1 0 305.469 1.626 50 0 DDAARO O[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(F)cc1F ZINC000058307286 407220306 /nfs/dbraw/zinc/22/03/06/407220306.db2.gz BRXKJUJSJKYJJY-YGRLFVJLSA-N 1 0 308.332 1.526 50 0 DDAARO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)C1CCOCC1 ZINC000095985386 407220958 /nfs/dbraw/zinc/22/09/58/407220958.db2.gz YKOOHNMFEQAHPC-AWEZNQCLSA-N 1 0 302.418 1.976 50 0 DDAARO Cc1[nH+]c(N2CCCC2)nc(N[C@H]2CCCCNC2=O)c1C ZINC000063883859 407236526 /nfs/dbraw/zinc/23/65/26/407236526.db2.gz ORARZXYKQRPAPS-ZDUSSCGKSA-N 1 0 303.410 1.774 50 0 DDAARO O=C(NCc1ccco1)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760487 407239689 /nfs/dbraw/zinc/23/96/89/407239689.db2.gz PXXINALMUWYXKY-UHFFFAOYSA-N 1 0 315.373 1.467 50 0 DDAARO Cc1ccc(NC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)c(F)c1 ZINC000096161759 407242577 /nfs/dbraw/zinc/24/25/77/407242577.db2.gz IAJCMQXQXGBLHM-AWEZNQCLSA-N 1 0 320.412 1.988 50 0 DDAARO COc1ccc(CNc2c(=O)c(=O)c2NCCC[NH+](C)C)cc1 ZINC000101677015 407314382 /nfs/dbraw/zinc/31/43/82/407314382.db2.gz MPTRICPWGMWHCH-UHFFFAOYSA-N 1 0 317.389 1.267 50 0 DDAARO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000096455031 407269133 /nfs/dbraw/zinc/26/91/33/407269133.db2.gz MQJQOVYFYFDXCC-RYUDHWBXSA-N 1 0 324.391 1.605 50 0 DDAARO CC(C)Cc1noc(CN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000096473723 407271028 /nfs/dbraw/zinc/27/10/28/407271028.db2.gz YGWLFHBELWFITH-UHFFFAOYSA-N 1 0 301.394 1.985 50 0 DDAARO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000096495037 407273161 /nfs/dbraw/zinc/27/31/61/407273161.db2.gz OCHIMBXTRRNZGF-CYBMUJFWSA-N 1 0 305.422 1.597 50 0 DDAARO CC(C)Cn1ncnc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000096497122 407273603 /nfs/dbraw/zinc/27/36/03/407273603.db2.gz JJWLIWLKFDZRNC-INIZCTEOSA-N 1 0 320.485 1.146 50 0 DDAARO COCC(=O)NC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067458127 407274269 /nfs/dbraw/zinc/27/42/69/407274269.db2.gz YWQMWSFOLKQLGR-CQSZACIVSA-N 1 0 320.389 1.042 50 0 DDAARO Cn1cc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](O)C3)c2)cn1 ZINC000067817663 407284981 /nfs/dbraw/zinc/28/49/81/407284981.db2.gz OATVFKXWNSSGRI-MRXNPFEDSA-N 1 0 314.389 1.629 50 0 DDAARO O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200702 407286926 /nfs/dbraw/zinc/28/69/26/407286926.db2.gz CFVMOURAOJXEHC-OAHLLOKOSA-N 1 0 318.421 1.064 50 0 DDAARO COc1ccc(-n2cccn2)c(CN(C)[C@H](C)C(=O)N(C)C)c1 ZINC000067878373 407287898 /nfs/dbraw/zinc/28/78/98/407287898.db2.gz FUOPFTHHIYBWHQ-CYBMUJFWSA-N 1 0 316.405 1.789 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(OC(F)(F)F)cc1 ZINC000097213229 407288634 /nfs/dbraw/zinc/28/86/34/407288634.db2.gz XEQIBERBOPWADO-GFCCVEGCSA-N 1 0 318.295 1.580 50 0 DDAARO CN(C)C(=O)c1cncc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067967006 407292393 /nfs/dbraw/zinc/29/23/93/407292393.db2.gz BRVRRIALLDHYTL-LLVKDONJSA-N 1 0 316.336 1.247 50 0 DDAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1c[nH]c(=O)[nH]1 ZINC000067982213 407292596 /nfs/dbraw/zinc/29/25/96/407292596.db2.gz NSJSKZZJYILDBE-AWEZNQCLSA-N 1 0 318.352 1.409 50 0 DDAARO C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC=C2)C[C@@H](O)C1 ZINC000097572168 407299897 /nfs/dbraw/zinc/29/98/97/407299897.db2.gz NUSXVMHXIBTPIP-HNNXBMFYSA-N 1 0 300.358 1.111 50 0 DDAARO COc1c(F)cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000097569016 407300116 /nfs/dbraw/zinc/30/01/16/407300116.db2.gz BMNPYQPASWGMOC-CYBMUJFWSA-N 1 0 311.376 1.453 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCn1nnc2ccccc21 ZINC000097604213 407300343 /nfs/dbraw/zinc/30/03/43/407300343.db2.gz LATPFCCGLQYYMP-OAHLLOKOSA-N 1 0 301.394 1.422 50 0 DDAARO Cc1ccccc1[C@H](CNC(=O)c1ccn2nnnc2c1)[NH+](C)C ZINC000097732751 407302224 /nfs/dbraw/zinc/30/22/24/407302224.db2.gz CXPKMNNKANCXFZ-HNNXBMFYSA-N 1 0 324.388 1.465 50 0 DDAARO COCc1cc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)ccc1OC ZINC000097772729 407302535 /nfs/dbraw/zinc/30/25/35/407302535.db2.gz CDSCJHLOZNCXNR-FSDCSDTHSA-N 1 0 321.417 1.405 50 0 DDAARO CC[N@H+](C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 ZINC000106868938 407364142 /nfs/dbraw/zinc/36/41/42/407364142.db2.gz CWVGZXSYEQCIHC-RDJZCZTQSA-N 1 0 319.449 1.204 50 0 DDAARO Cn1cnc(-c2nc([C@H]3C[NH+](C)CC34CCOCC4)no2)c1 ZINC000257175462 407480803 /nfs/dbraw/zinc/48/08/03/407480803.db2.gz PHRCMCAARNRKBZ-LLVKDONJSA-N 1 0 303.366 1.296 50 0 DDAARO COc1ccc([C@H](CC(=O)N2CC[C@@H](C[NH3+])C2)NC(C)=O)cc1 ZINC000178538682 407486637 /nfs/dbraw/zinc/48/66/37/407486637.db2.gz QZQFPUVZEUMWOH-BBRMVZONSA-N 1 0 319.405 1.070 50 0 DDAARO CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000257193283 407487746 /nfs/dbraw/zinc/48/77/46/407487746.db2.gz XVWXXTYIVNDODC-HNNXBMFYSA-N 1 0 321.465 1.719 50 0 DDAARO O=C(N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000257195323 407491799 /nfs/dbraw/zinc/49/17/99/407491799.db2.gz VWAKNPPABCRMRJ-ZWKOTPCHSA-N 1 0 316.445 1.828 50 0 DDAARO C[C@]([NH3+])(Cc1ccccc1)C(=O)NCCCc1csc(N)n1 ZINC000222339190 407557709 /nfs/dbraw/zinc/55/77/09/407557709.db2.gz AGPWAOATBDLONF-INIZCTEOSA-N 1 0 318.446 1.734 50 0 DDAARO O=C(CSCC[NH+]1CCCC1)N1CCC(n2cnnc2)CC1 ZINC000220627718 407543501 /nfs/dbraw/zinc/54/35/01/407543501.db2.gz YAQDSXPSNVQQFF-UHFFFAOYSA-N 1 0 323.466 1.271 50 0 DDAARO CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229383340 407660486 /nfs/dbraw/zinc/66/04/86/407660486.db2.gz VSEBCEPXQMHBAX-KGLIPLIRSA-N 1 0 322.430 1.447 50 0 DDAARO Cc1nc2ccc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)nn2n1 ZINC000225537777 407593911 /nfs/dbraw/zinc/59/39/11/407593911.db2.gz LAGFUJLHPOUIBI-RYUDHWBXSA-N 1 0 304.398 1.344 50 0 DDAARO Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000230083549 407679894 /nfs/dbraw/zinc/67/98/94/407679894.db2.gz LWPDGAGGOKFPQE-TZMCWYRMSA-N 1 0 312.410 1.991 50 0 DDAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCC1C[NH2+]C1 ZINC000262006369 407708561 /nfs/dbraw/zinc/70/85/61/407708561.db2.gz ILJMPHHEWCJMJO-UHFFFAOYSA-N 1 0 312.295 1.391 50 0 DDAARO Cc1nccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000171651120 407733035 /nfs/dbraw/zinc/73/30/35/407733035.db2.gz QFDDPRMWOVYLQH-OAHLLOKOSA-N 1 0 303.410 1.555 50 0 DDAARO CN(Cc1ncon1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000272027366 407744870 /nfs/dbraw/zinc/74/48/70/407744870.db2.gz ASEWBGIOYQQXDW-AWEZNQCLSA-N 1 0 300.362 1.693 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000237575481 407828166 /nfs/dbraw/zinc/82/81/66/407828166.db2.gz GHHVMMYUAXJZAJ-WCBMZHEXSA-N 1 0 318.830 1.208 50 0 DDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000134162804 407887716 /nfs/dbraw/zinc/88/77/16/407887716.db2.gz CPQYWRWITLBHBF-GJZGRUSLSA-N 1 0 316.467 1.230 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H](C)[NH2+]1 ZINC000153762814 407898000 /nfs/dbraw/zinc/89/80/00/407898000.db2.gz UFLJMDBSPNISHW-UWVGGRQHSA-N 1 0 317.311 1.845 50 0 DDAARO O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000241846667 407913275 /nfs/dbraw/zinc/91/32/75/407913275.db2.gz SMRHXUYUKYXGMU-YUTCNCBUSA-N 1 0 312.377 1.522 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000133433586 407844245 /nfs/dbraw/zinc/84/42/45/407844245.db2.gz NSWXZJJWNCUQKC-CQSZACIVSA-N 1 0 317.368 1.290 50 0 DDAARO CNC(=O)CC[N@H+](C)CC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000244691938 407931483 /nfs/dbraw/zinc/93/14/83/407931483.db2.gz JLOVOENXLQJCIR-CQSZACIVSA-N 1 0 305.422 1.549 50 0 DDAARO COc1cccc(CN2CCN(C[C@H]3CCC[N@@H+]3C)CC2=O)c1 ZINC000244795077 407937122 /nfs/dbraw/zinc/93/71/22/407937122.db2.gz QZADCMFKKRLDNP-MRXNPFEDSA-N 1 0 317.433 1.434 50 0 DDAARO CCN(C[C@H]1CC[N@@H+]([C@@H]2CCCCNC2=O)C1)CC(F)(F)F ZINC000119280060 408028643 /nfs/dbraw/zinc/02/86/43/408028643.db2.gz WQYOMJYKSHEPDI-CHWSQXEVSA-N 1 0 321.387 1.861 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc(N3CCCNC3=O)c2)C[C@H](C)[NH2+]1 ZINC000154275863 408008229 /nfs/dbraw/zinc/00/82/29/408008229.db2.gz ZXRNUSXZGIEYJB-STQMWFEESA-N 1 0 316.405 1.429 50 0 DDAARO O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248002596 408526089 /nfs/dbraw/zinc/52/60/89/408526089.db2.gz RLLXCHQODWFMDM-ZFWWWQNUSA-N 1 0 313.401 1.809 50 0 DDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000248126711 408535994 /nfs/dbraw/zinc/53/59/94/408535994.db2.gz LYTNCMCAMBFLGG-CPUCHLNUSA-N 1 0 316.401 1.912 50 0 DDAARO CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000248160562 408540372 /nfs/dbraw/zinc/54/03/72/408540372.db2.gz XKUSOTMWNKLYTR-ZACQAIPSSA-N 1 0 321.465 1.767 50 0 DDAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)n1 ZINC000252487281 408798724 /nfs/dbraw/zinc/79/87/24/408798724.db2.gz VFUWTPCYKGXDKN-BYCMXARLSA-N 1 0 313.467 1.691 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCCC3)C2)n1 ZINC000253375954 408813608 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Cc1cc(CC(=O)NCCC2(O)CC[NH+](C)CC2)ccc1F ZINC000299792683 410632450 /nfs/dbraw/zinc/63/24/50/410632450.db2.gz GMKORDLAHOHVHF-UHFFFAOYSA-N 1 0 308.397 1.640 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nncs1 ZINC000299793777 410635514 /nfs/dbraw/zinc/63/55/14/410635514.db2.gz KEAUCWBHLZBGGM-NSHDSACASA-N 1 0 322.438 1.770 50 0 DDAARO CN1CC[NH+](CC2(CNC(=O)c3ccncc3Cl)CC2)CC1 ZINC000299800645 410637437 /nfs/dbraw/zinc/63/74/37/410637437.db2.gz UQQMGYRASSFYGZ-UHFFFAOYSA-N 1 0 322.840 1.492 50 0 DDAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000134110515 196362629 /nfs/dbraw/zinc/36/26/29/196362629.db2.gz SOMXHWXRQBLHDL-SECBINFHSA-N 1 0 310.423 1.777 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000044595829 418428772 /nfs/dbraw/zinc/42/87/72/418428772.db2.gz ITSBKYKYCZUXEK-AWEZNQCLSA-N 1 0 321.421 1.590 50 0 DDAARO Cc1ccccc1OCCCON1C(=N)NC(=[NH2+])NC1(C)C ZINC000045194199 418437783 /nfs/dbraw/zinc/43/77/83/418437783.db2.gz XGEKIMXWORTBMJ-UHFFFAOYSA-N 1 0 305.382 1.377 50 0 DDAARO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)N1CCOCC1 ZINC000046836780 418451247 /nfs/dbraw/zinc/45/12/47/418451247.db2.gz ISJXSAQZCFMJGR-CQSZACIVSA-N 1 0 300.406 1.887 50 0 DDAARO Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000107580925 418498785 /nfs/dbraw/zinc/49/87/85/418498785.db2.gz IQMCAZNUOLWRKX-HZPDHXFCSA-N 1 0 319.449 1.514 50 0 DDAARO CN(c1ccc(Cl)cn1)S(=O)(=O)CC[NH+]1CCCC1 ZINC000192624332 418525226 /nfs/dbraw/zinc/52/52/26/418525226.db2.gz ZVAULNMFITUHPY-UHFFFAOYSA-N 1 0 303.815 1.597 50 0 DDAARO CCO[C@H]1CN(c2cc(C)[nH+]c(N3CCCCC3)n2)C[C@@H]1O ZINC000220223134 418561379 /nfs/dbraw/zinc/56/13/79/418561379.db2.gz KDJLZDHQPPKVSN-KBPBESRZSA-N 1 0 306.410 1.361 50 0 DDAARO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000223937006 418564774 /nfs/dbraw/zinc/56/47/74/418564774.db2.gz GSFLXBQHDNWYHU-LSDHHAIUSA-N 1 0 303.406 1.590 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2cccc3c2OCCO3)C[C@H]1C ZINC000240407408 222210561 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C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CCCOC1 ZINC000095423150 278261411 /nfs/dbraw/zinc/26/14/11/278261411.db2.gz MYLWTCFZEUWZEJ-IRXDYDNUSA-N 1 0 303.450 1.966 50 0 DDAARO Cc1[nH]c(=O)c(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(C)c1C ZINC000253536299 279103790 /nfs/dbraw/zinc/10/37/90/279103790.db2.gz CUINPWCBZMMCLZ-KBPBESRZSA-N 1 0 319.405 1.305 50 0 DDAARO C[C@H](NC(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nncn1C ZINC000065390779 279437847 /nfs/dbraw/zinc/43/78/47/279437847.db2.gz XMPXNURTLBIIEZ-UPJWGTAASA-N 1 0 308.430 1.153 50 0 DDAARO CC[C@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000107136597 281165850 /nfs/dbraw/zinc/16/58/50/281165850.db2.gz GBFCJQYMCAKNTJ-HOCLYGCPSA-N 1 0 311.470 1.212 50 0 DDAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(F)c1 ZINC000072300146 288313023 /nfs/dbraw/zinc/31/30/23/288313023.db2.gz WNSHHZIFWCTUCE-QWHCGFSZSA-N 1 0 313.398 1.468 50 0 DDAARO COc1cc(CC(=O)N2CCC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC000072122359 294975996 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CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-c1ncc[nH]1 ZINC000534634939 334308977 /nfs/dbraw/zinc/30/89/77/334308977.db2.gz DKJKKGRJWCVOMI-KBPBESRZSA-N 1 0 300.362 1.136 50 0 DDAARO CCn1nc(C)cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000534658846 334315057 /nfs/dbraw/zinc/31/50/57/334315057.db2.gz BZYADZISBIYEDI-UHFFFAOYSA-N 1 0 308.407 1.149 50 0 DDAARO O=C(C1CCCC1)N1CCC(C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000534666135 334318819 /nfs/dbraw/zinc/31/88/19/334318819.db2.gz LCARBOGECIOQEV-JKSUJKDBSA-N 1 0 319.449 1.236 50 0 DDAARO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCNC3=O)o2)CC1 ZINC000534663308 334322645 /nfs/dbraw/zinc/32/26/45/334322645.db2.gz PHAZOYKSZXFTNN-CYBMUJFWSA-N 1 0 305.378 1.130 50 0 DDAARO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000083847963 483984937 /nfs/dbraw/zinc/98/49/37/483984937.db2.gz CKISEMKCJROTLD-OGVSOVDVSA-N 1 0 321.465 1.482 50 0 DDAARO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000084259087 483993565 /nfs/dbraw/zinc/99/35/65/483993565.db2.gz 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2(CCO)CCC2)C1 ZINC000095431076 407213222 /nfs/dbraw/zinc/21/32/22/407213222.db2.gz JYEQVKJKSBZEPJ-OAHLLOKOSA-N 1 0 311.470 1.959 50 0 DDAARO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CCCOC1 ZINC000095423151 407213616 /nfs/dbraw/zinc/21/36/16/407213616.db2.gz MYLWTCFZEUWZEJ-SJORKVTESA-N 1 0 303.450 1.966 50 0 DDAARO O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057893444 407218113 /nfs/dbraw/zinc/21/81/13/407218113.db2.gz XEQHZIZXGSHTHG-QGZVFWFLSA-N 1 0 317.433 1.272 50 0 DDAARO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000095968252 407218576 /nfs/dbraw/zinc/21/85/76/407218576.db2.gz ZYBBHLWTSJEMRL-MWLCHTKSSA-N 1 0 315.215 1.245 50 0 DDAARO CCOC(=O)c1cnc(N2CCC([NH2+]C3CC3)CC2)nc1C ZINC000095993862 407221586 /nfs/dbraw/zinc/22/15/86/407221586.db2.gz DDLSRNXRBVNNGQ-UHFFFAOYSA-N 1 0 304.394 1.683 50 0 DDAARO CCC[C@@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000096003093 407222970 /nfs/dbraw/zinc/22/29/70/407222970.db2.gz 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CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000067712875 407281029 /nfs/dbraw/zinc/28/10/29/407281029.db2.gz IUEVWXGMYMBPNR-LLVKDONJSA-N 1 0 324.406 1.041 50 0 DDAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000067833547 407286024 /nfs/dbraw/zinc/28/60/24/407286024.db2.gz KJPLEVCDFFFSTO-ZDUSSCGKSA-N 1 0 313.405 1.933 50 0 DDAARO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000097227601 407288621 /nfs/dbraw/zinc/28/86/21/407288621.db2.gz UTJYPAGSMHALPI-RYRKJORJSA-N 1 0 324.465 1.810 50 0 DDAARO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH2+]C[C@H]3C)c12 ZINC000124657945 407365360 /nfs/dbraw/zinc/36/53/60/407365360.db2.gz DVPKOUDRKXARNV-SECBINFHSA-N 1 0 300.362 1.843 50 0 DDAARO CC[C@@H]1CN(CCC(=O)N2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000106906832 407366225 /nfs/dbraw/zinc/36/62/25/407366225.db2.gz DLKCXXKKPXZEDD-JKSUJKDBSA-N 1 0 311.470 1.166 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000124892089 407372557 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O=C(N[C@H]1COC2(C1)CC[NH2+]CC2)c1[nH]nc2ccccc21 ZINC000215957368 407491681 /nfs/dbraw/zinc/49/16/81/407491681.db2.gz ZKWLTUPFBBAGKF-LLVKDONJSA-N 1 0 300.362 1.204 50 0 DDAARO [NH3+][C@H]1CCN(Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000216243256 407496732 /nfs/dbraw/zinc/49/67/32/407496732.db2.gz FZVAVIAGNVFSDV-INIZCTEOSA-N 1 0 300.406 1.885 50 0 DDAARO CC[N@H+]1C[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000229310746 407657416 /nfs/dbraw/zinc/65/74/16/407657416.db2.gz RBWGWQAFSHKLGF-NHYWBVRUSA-N 1 0 310.419 1.335 50 0 DDAARO Cc1nc(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000229169482 407658350 /nfs/dbraw/zinc/65/83/50/407658350.db2.gz MVOYMOITWZPIKB-KGLIPLIRSA-N 1 0 308.451 1.920 50 0 DDAARO C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229868297 407674935 /nfs/dbraw/zinc/67/49/35/407674935.db2.gz OZUYPZZOSULWFR-IMJJTQAJSA-N 1 0 321.465 1.814 50 0 DDAARO Cn1cnc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1 ZINC000262018270 407714929 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Cc1ccc(OCC[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c(C)c1 ZINC000244594236 407927673 /nfs/dbraw/zinc/92/76/73/407927673.db2.gz DIZPWJRNSMELRJ-YVSFHVDLSA-N 1 0 305.418 1.746 50 0 DDAARO C[N@@H+]1CCN2CCN(Cc3ccc(-c4cc[nH]n4)s3)C[C@H]2C1 ZINC000244708307 407930696 /nfs/dbraw/zinc/93/06/96/407930696.db2.gz KRJASVFJHYWATF-CYBMUJFWSA-N 1 0 317.462 1.570 50 0 DDAARO COc1cccc2c1OCCC[N@H+](CCCn1cnnn1)C2 ZINC000244794753 407939534 /nfs/dbraw/zinc/93/95/34/407939534.db2.gz QSVZAICOERLFOB-UHFFFAOYSA-N 1 0 303.366 1.357 50 0 DDAARO C[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@H](C)[NH2+]1 ZINC000153970123 407942761 /nfs/dbraw/zinc/94/27/61/407942761.db2.gz KDKSBFRYNPCXNZ-AOOOYVTPSA-N 1 0 305.407 1.366 50 0 DDAARO COc1ccccc1[C@H](O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246615817 408303175 /nfs/dbraw/zinc/30/31/75/408303175.db2.gz JQPABSATZRBTOC-DMRZNYOFSA-N 1 0 318.417 1.766 50 0 DDAARO COc1c(C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)nn1C ZINC000183269861 408368096 /nfs/dbraw/zinc/36/80/96/408368096.db2.gz YCFKJHKFMLKRJF-UHFFFAOYSA-N 1 0 309.410 1.366 50 0 DDAARO C[C@@H](NC(=O)CC1CCOCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000096449736 286938545 /nfs/dbraw/zinc/93/85/45/286938545.db2.gz ZGFUYUUAGLDWLX-OAHLLOKOSA-N 1 0 324.465 1.953 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000247707028 408504956 /nfs/dbraw/zinc/50/49/56/408504956.db2.gz FSMPIHXYIKOYSA-BHYGNILZSA-N 1 0 318.417 1.391 50 0 DDAARO CCO[C@@H]1C[C@H](NS(=O)(=O)CC[NH+]2CCCC2)C12CCC2 ZINC000192720728 408638531 /nfs/dbraw/zinc/63/85/31/408638531.db2.gz IGRRHSKLWFJCHP-UONOGXRCSA-N 1 0 316.467 1.349 50 0 DDAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)on2)cn1 ZINC000184993838 408732629 /nfs/dbraw/zinc/73/26/29/408732629.db2.gz GKUNWKSAHAPUTB-LBPRGKRZSA-N 1 0 317.393 1.553 50 0 DDAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000252669706 408808858 /nfs/dbraw/zinc/80/88/58/408808858.db2.gz ILKVGJHUMNEZLK-GXTWGEPZSA-N 1 0 300.424 1.738 50 0 DDAARO C[C@@H]([NH3+])C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000165542708 408810461 /nfs/dbraw/zinc/81/04/61/408810461.db2.gz LOWHWHMNCKCCQT-MELADBBJSA-N 1 0 305.422 1.259 50 0 DDAARO Cc1noc(C)c1CN1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000165458873 408810949 /nfs/dbraw/zinc/81/09/49/408810949.db2.gz BLWSRSOQJLCWQY-UHFFFAOYSA-N 1 0 320.437 1.325 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 ZINC000249694956 408756453 /nfs/dbraw/zinc/75/64/53/408756453.db2.gz PZVGTDJFPAFJCK-QWHCGFSZSA-N 1 0 321.446 1.936 50 0 DDAARO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)n(C)n1 ZINC000277744995 409003153 /nfs/dbraw/zinc/00/31/53/409003153.db2.gz QGJZQEBBPMVYAU-OAHLLOKOSA-N 1 0 302.426 1.529 50 0 DDAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)NC(N)=O)nc2c1 ZINC000298534490 410279960 /nfs/dbraw/zinc/27/99/60/410279960.db2.gz MOHUEQXADNVURQ-ZDUSSCGKSA-N 1 0 315.377 1.593 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000299741150 410604879 /nfs/dbraw/zinc/60/48/79/410604879.db2.gz DCYYERUCOWBPCE-BMFZPTHFSA-N 1 0 302.422 1.160 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)cc(C)o2)C1 ZINC000299769192 410613947 /nfs/dbraw/zinc/61/39/47/410613947.db2.gz LJYBUICFXYRNRL-ZDUSSCGKSA-N 1 0 308.378 1.036 50 0 DDAARO Cc1nonc1CNC(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299785239 410627758 /nfs/dbraw/zinc/62/77/58/410627758.db2.gz KCZBNHAFYGYUGD-UHFFFAOYSA-N 1 0 308.313 1.175 50 0 DDAARO CO[C@@H](C)c1noc(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000331061624 410924638 /nfs/dbraw/zinc/92/46/38/410924638.db2.gz UNEVHAYPYRICBV-LBPRGKRZSA-N 1 0 324.425 1.856 50 0 DDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000131027093 196133998 /nfs/dbraw/zinc/13/39/98/196133998.db2.gz OFGOYGKANWBXHI-CQSZACIVSA-N 1 0 302.378 1.170 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCNC(N)=O ZINC000131606701 196183728 /nfs/dbraw/zinc/18/37/28/196183728.db2.gz GLWPLXVIBKAEHD-CQSZACIVSA-N 1 0 318.421 1.168 50 0 DDAARO c1ncc(NCC2([NH+]3CCSCC3)CCCC2)n2nnnc12 ZINC000048345628 418470745 /nfs/dbraw/zinc/47/07/45/418470745.db2.gz GWGLAZWKNRPDMD-UHFFFAOYSA-N 1 0 319.438 1.293 50 0 DDAARO COCC[NH2+]CCNC(=O)c1cc(F)ccc1Br ZINC000212727326 418559202 /nfs/dbraw/zinc/55/92/02/418559202.db2.gz HVVTYENABXDYKM-UHFFFAOYSA-N 1 0 319.174 1.554 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000239760914 222210860 /nfs/dbraw/zinc/21/08/60/222210860.db2.gz CIIOGAAYJPWCKF-MNOVXSKESA-N 1 0 316.373 1.822 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncnn1C ZINC000248878256 222237936 /nfs/dbraw/zinc/23/79/36/222237936.db2.gz RINRCZFPXYIKFR-TZMCWYRMSA-N 1 0 314.393 1.457 50 0 DDAARO Cc1cnc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)cn1 ZINC000426503026 419489887 /nfs/dbraw/zinc/48/98/87/419489887.db2.gz OKICQGBBBVDIGF-NSHDSACASA-N 1 0 304.423 1.673 50 0 DDAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(N)nc3)cc2)C1 ZINC000426369172 419450282 /nfs/dbraw/zinc/45/02/82/419450282.db2.gz KHMLQNRCEZWPND-MRXNPFEDSA-N 1 0 310.401 2.107 50 0 DDAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1ccncc1 ZINC000426387598 419453827 /nfs/dbraw/zinc/45/38/27/419453827.db2.gz DITOKJNDUKGXMP-HNNXBMFYSA-N 1 0 313.405 1.104 50 0 DDAARO CC[C@H](O)CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426411133 419463446 /nfs/dbraw/zinc/46/34/46/419463446.db2.gz AUBPLLQNEVRXCL-LBPRGKRZSA-N 1 0 310.398 1.771 50 0 DDAARO COc1ncc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000426427870 419469079 /nfs/dbraw/zinc/46/90/79/419469079.db2.gz BKLSMIQOVOJSHG-UHFFFAOYSA-N 1 0 322.434 1.139 50 0 DDAARO CN1CCCN(C(=O)NCc2ccccc2)CC12CC[NH2+]CC2 ZINC000426651916 419524038 /nfs/dbraw/zinc/52/40/38/419524038.db2.gz ARWUHTCBDZRWEJ-UHFFFAOYSA-N 1 0 316.449 1.656 50 0 DDAARO Cc1cnn(CCCSc2nnc([C@H]3CCC[NH2+]C3)n2C)c1 ZINC000426647071 228592034 /nfs/dbraw/zinc/59/20/34/228592034.db2.gz KKAUJBJQHXONQJ-ZDUSSCGKSA-N 1 0 320.466 1.969 50 0 DDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000299739925 229373755 /nfs/dbraw/zinc/37/37/55/229373755.db2.gz SYZYPZGLPYLWOO-CYBMUJFWSA-N 1 0 312.373 1.803 50 0 DDAARO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000630061395 421870214 /nfs/dbraw/zinc/87/02/14/421870214.db2.gz WAVZVPPQZHIKKF-HNNXBMFYSA-N 1 0 303.406 1.585 50 0 DDAARO COc1ccccc1-c1ccc(N[C@H]2C[N@@H+](C)C[C@@H]2OC)nn1 ZINC000584896458 422303241 /nfs/dbraw/zinc/30/32/41/422303241.db2.gz PJFFPUUCHPFQGL-HOCLYGCPSA-N 1 0 314.389 1.893 50 0 DDAARO O=C(NCc1ccccc1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575605166 422303318 /nfs/dbraw/zinc/30/33/18/422303318.db2.gz AHJLFVJFJUWJFN-QGZVFWFLSA-N 1 0 317.433 1.987 50 0 DDAARO CCOc1cccc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000585120939 422306658 /nfs/dbraw/zinc/30/66/58/422306658.db2.gz YMAYAFRZHOHTGS-GDBMZVCRSA-N 1 0 304.390 1.565 50 0 DDAARO Cc1ccnc(N)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000585136861 422311712 /nfs/dbraw/zinc/31/17/12/422311712.db2.gz WBLNHHRKJLCEEB-UHFFFAOYSA-N 1 0 302.353 1.631 50 0 DDAARO COc1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091650004 274107885 /nfs/dbraw/zinc/10/78/85/274107885.db2.gz DUPMLIGKDFMNPQ-HZPDHXFCSA-N 1 0 320.433 1.256 50 0 DDAARO O[C@]12CC[NH2+]C[C@H]1CN(c1cc(C(F)(F)F)ccn1)CC2 ZINC000095357799 275060540 /nfs/dbraw/zinc/06/05/40/275060540.db2.gz CVDGDOLKMPBQLY-AAEUAGOBSA-N 1 0 301.312 1.651 50 0 DDAARO CCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000035421945 276252322 /nfs/dbraw/zinc/25/23/22/276252322.db2.gz GEKIUOMNQNEYOX-UHFFFAOYSA-N 1 0 317.433 1.669 50 0 DDAARO C[NH2+]C[C@H]1CCCN1C(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000237213971 277032003 /nfs/dbraw/zinc/03/20/03/277032003.db2.gz OEBRMVFOLSXSTO-CQSZACIVSA-N 1 0 302.374 1.681 50 0 DDAARO C[NH2+]CC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000097019816 277264752 /nfs/dbraw/zinc/26/47/52/277264752.db2.gz ZDQFLNUOBMVELD-UHFFFAOYSA-N 1 0 301.274 1.776 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069773892 279034026 /nfs/dbraw/zinc/03/40/26/279034026.db2.gz LLAWFSJHUONGMC-XQLPTFJDSA-N 1 0 308.426 1.194 50 0 DDAARO C[C@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)[C@@H]1C[NH3+] ZINC000237677738 279671559 /nfs/dbraw/zinc/67/15/59/279671559.db2.gz DFHCEVFCXZNBGN-SWLSCSKDSA-N 1 0 319.430 1.983 50 0 DDAARO CCS(=O)(=O)NCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000097034483 280021265 /nfs/dbraw/zinc/02/12/65/280021265.db2.gz SFMUYFKNMBJQIL-UPJWGTAASA-N 1 0 304.456 1.109 50 0 DDAARO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C(C)(C)O1 ZINC000090391310 281357406 /nfs/dbraw/zinc/35/74/06/281357406.db2.gz NWHBZTGKGORKTE-AVGNSLFASA-N 1 0 318.483 1.640 50 0 DDAARO C[C@@H]1Sc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2NC1=O ZINC000178535499 288948149 /nfs/dbraw/zinc/94/81/49/288948149.db2.gz XDLVCFMTGFDDIY-UWVGGRQHSA-N 1 0 305.403 1.540 50 0 DDAARO O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H]1C[NH2+]C[C@@H]1CO ZINC000055308811 295462992 /nfs/dbraw/zinc/46/29/92/295462992.db2.gz JEMKKONPNKNIJW-HYXCCBOESA-N 1 0 306.450 1.537 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000269622401 302576184 /nfs/dbraw/zinc/57/61/84/302576184.db2.gz IRRBYSPPTRNQTP-LDYMZIIASA-N 1 0 303.453 1.650 50 0 DDAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCNC1=O ZINC000534583225 334289867 /nfs/dbraw/zinc/28/98/67/334289867.db2.gz DYUNEQMNODTMCE-ZDUSSCGKSA-N 1 0 324.450 1.100 50 0 DDAARO Cc1ccc(-c2noc(CC[NH2+][C@@H](C)CS(C)(=O)=O)n2)cc1 ZINC000534592132 334294694 /nfs/dbraw/zinc/29/46/94/334294694.db2.gz XGBCGMXGROQLGP-LBPRGKRZSA-N 1 0 323.418 1.610 50 0 DDAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC(=O)OC13CCCCC3)C2 ZINC000534652284 334312620 /nfs/dbraw/zinc/31/26/20/334312620.db2.gz UMZAZLAHDZAABM-QVHKTLOISA-N 1 0 306.406 1.448 50 0 DDAARO Cc1cccc(OC2CN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000534663440 334322765 /nfs/dbraw/zinc/32/27/65/334322765.db2.gz LLAJDWLFNCPYAF-CQSZACIVSA-N 1 0 303.406 1.862 50 0 DDAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000084281173 483994008 /nfs/dbraw/zinc/99/40/08/483994008.db2.gz CLCZNYXKGGUUQX-NSHDSACASA-N 1 0 320.315 1.753 50 0 DDAARO O=C(CCc1ccccc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084528358 483996890 /nfs/dbraw/zinc/99/68/90/483996890.db2.gz PBOJHLIWHLCOQQ-SJORKVTESA-N 1 0 302.418 1.677 50 0 DDAARO COc1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCO2)c2cccnc12 ZINC000216106970 484140656 /nfs/dbraw/zinc/14/06/56/484140656.db2.gz GKBHACXSBPVGCR-OAHLLOKOSA-N 1 0 315.373 1.190 50 0 DDAARO CO[C@@H](C)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328587611 484418950 /nfs/dbraw/zinc/41/89/50/484418950.db2.gz CWQQUTIVUBAGNZ-DZGCQCFKSA-N 1 0 318.483 1.738 50 0 DDAARO COCc1cc(C[N@@H+]2C[C@H](O)[C@@H](OC(C)C)C2)ccc1OC ZINC000670470836 484849581 /nfs/dbraw/zinc/84/95/81/484849581.db2.gz BPJCSYAGCJUVNH-RDJZCZTQSA-N 1 0 309.406 1.812 50 0 DDAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000299747805 534599725 /nfs/dbraw/zinc/59/97/25/534599725.db2.gz FDFXKIOAUNIPBQ-CVEARBPZSA-N 1 0 306.381 1.330 50 0 DDAARO [NH3+]CCNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000122463892 696721914 /nfs/dbraw/zinc/72/19/14/696721914.db2.gz CANZGDHXUQRNLO-VMPITWQZSA-N 1 0 305.197 1.298 50 0 DDAARO Cc1ccccc1C[NH2+][C@H]1C[C@H]2C(=O)N[C@H](C(C)C)C(=O)N2C1 ZINC000014537024 696055313 /nfs/dbraw/zinc/05/53/13/696055313.db2.gz MAEDYYNVPXTQIF-HRCADAONSA-N 1 0 315.417 1.209 50 0 DDAARO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000045957472 696178276 /nfs/dbraw/zinc/17/82/76/696178276.db2.gz MRIFAIMUOYFJPF-INIZCTEOSA-N 1 0 304.390 1.817 50 0 DDAARO Cc1nonc1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC000067947778 696365577 /nfs/dbraw/zinc/36/55/77/696365577.db2.gz UOJRJULAJJIWBJ-UHFFFAOYSA-N 1 0 320.437 1.939 50 0 DDAARO CN1C[C@@H](C[NH+](C)C)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC000169790622 697346743 /nfs/dbraw/zinc/34/67/43/697346743.db2.gz OPBGUUQLTUQQPZ-QMTHXVAHSA-N 1 0 313.804 1.701 50 0 DDAARO Cc1cnn(CC(=O)NCCn2c(C)c[nH+]c2C2CCC2)c1 ZINC000257176950 751188967 /nfs/dbraw/zinc/18/89/67/751188967.db2.gz VEZUUFVNIVRLEK-UHFFFAOYSA-N 1 0 301.394 1.780 50 0 DDAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccon3)C2)cn1 ZINC000823603694 758333399 /nfs/dbraw/zinc/33/33/99/758333399.db2.gz HHAOFYMXLDOWDL-ZDUSSCGKSA-N 1 0 317.393 1.533 50 0 DDAARO CN1CCN([C@H]2COC[C@@H]2Nc2cc[nH+]c3ccccc23)CC1 ZINC000823792790 758362986 /nfs/dbraw/zinc/36/29/86/758362986.db2.gz YRFMMMFHCHWSEV-ROUUACIJSA-N 1 0 312.417 1.083 50 0 DDAARO Cn1cncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828202223 759537835 /nfs/dbraw/zinc/53/78/35/759537835.db2.gz KVLVGTTWOLQHOQ-GFCCVEGCSA-N 1 0 304.419 1.876 50 0 DDAARO Cc1ncn(CC2CC[NH+](C[C@@H]3CCCOC3)CC2)c(=O)c1C ZINC000585632587 773686073 /nfs/dbraw/zinc/68/60/73/773686073.db2.gz VTHVDPNKWNHLEJ-KRWDZBQOSA-N 1 0 319.449 1.999 50 0 DDAARO OC[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)no1 ZINC000952868571 775599075 /nfs/dbraw/zinc/59/90/75/775599075.db2.gz ANWHTSBQRVKJDE-AWEZNQCLSA-N 1 0 302.378 1.995 50 0 DDAARO CSc1ncc(CNC(=O)C2CC[NH+](C(C)C)CC2)n1C ZINC000095497212 185374244 /nfs/dbraw/zinc/37/42/44/185374244.db2.gz JNYWIFPLCIIJLT-UHFFFAOYSA-N 1 0 310.467 1.879 50 0 DDAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000095520646 185376964 /nfs/dbraw/zinc/37/69/64/185376964.db2.gz CKXMUKWGLQIPCN-AWEZNQCLSA-N 1 0 305.426 1.631 50 0 DDAARO CN(Cc1ccccc1Cl)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000078926295 185129859 /nfs/dbraw/zinc/12/98/59/185129859.db2.gz ORXKZSQRXRTWIS-CQSZACIVSA-N 1 0 324.856 1.727 50 0 DDAARO CCOc1ncccc1CNC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000089988821 185275060 /nfs/dbraw/zinc/27/50/60/185275060.db2.gz UXHBKSHBHXAEAT-CYBMUJFWSA-N 1 0 306.410 1.764 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(CN3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c12 ZINC000082097566 192354943 /nfs/dbraw/zinc/35/49/43/192354943.db2.gz GDNMNNAHAZQIBO-UKRRQHHQSA-N 1 0 301.390 1.039 50 0 DDAARO [NH3+]C1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCCCC1 ZINC000096998702 185396038 /nfs/dbraw/zinc/39/60/38/185396038.db2.gz GVZAASGPMMQOEH-UHFFFAOYSA-N 1 0 303.406 1.702 50 0 DDAARO CN(CCCC[NH+](C)C)S(=O)(=O)c1cncc(Cl)c1 ZINC000095437327 185365450 /nfs/dbraw/zinc/36/54/50/185365450.db2.gz ZLGDANVOZUHSCT-UHFFFAOYSA-N 1 0 305.831 1.697 50 0 DDAARO CCc1c(C(=O)N2CC[C@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000097019566 185397930 /nfs/dbraw/zinc/39/79/30/185397930.db2.gz QOOCECBKHATDGO-LBPRGKRZSA-N 1 0 302.353 1.747 50 0 DDAARO C[C@@H]1C[C@@H](CNC(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)[C@@H](C)O1 ZINC000685941447 539565498 /nfs/dbraw/zinc/56/54/98/539565498.db2.gz CBQOAADYOYFZJA-BZPMIXESSA-N 1 0 320.437 1.762 50 0 DDAARO C[C@@H]1C[C@H](CNC(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)[C@@H](C)O1 ZINC000685941452 539565964 /nfs/dbraw/zinc/56/59/64/539565964.db2.gz CBQOAADYOYFZJA-YRGRVCCFSA-N 1 0 320.437 1.762 50 0 DDAARO C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000083967059 192393207 /nfs/dbraw/zinc/39/32/07/192393207.db2.gz OZUYPZZOSULWFR-CWRNSKLLSA-N 1 0 321.465 1.814 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072153501 191057367 /nfs/dbraw/zinc/05/73/67/191057367.db2.gz JICXETVNMYMKOT-MRXNPFEDSA-N 1 0 304.365 1.820 50 0 DDAARO COCc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)o1 ZINC000072143043 191048742 /nfs/dbraw/zinc/04/87/42/191048742.db2.gz AVCMIWUXGPLPOP-AWEZNQCLSA-N 1 0 322.405 1.487 50 0 DDAARO COc1ccc(/C=C/CN2CCO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC000072166490 191066123 /nfs/dbraw/zinc/06/61/23/191066123.db2.gz BCLNPNPMCIGPQI-DCKQQPRJSA-N 1 0 318.417 1.399 50 0 DDAARO Cc1ccc([C@H](C)NC(=O)C[NH2+]CCn2cccn2)cc1C ZINC000072267841 191091013 /nfs/dbraw/zinc/09/10/13/191091013.db2.gz OCZWYNHWJKZFJO-HNNXBMFYSA-N 1 0 300.406 1.967 50 0 DDAARO C[C@@](O)(C[N@@H+]1CCCN(c2cccnn2)CC1)C(F)(F)F ZINC000253396379 186304623 /nfs/dbraw/zinc/30/46/23/186304623.db2.gz BGYJOIXLLQJHIQ-GFCCVEGCSA-N 1 0 304.316 1.302 50 0 DDAARO CC(=O)N1CC[N@@H+](CCN2CCO[C@@H](C)C2)CC12CCCCC2 ZINC000253397456 186305846 /nfs/dbraw/zinc/30/58/46/186305846.db2.gz WBUQIAOBBIFGCB-INIZCTEOSA-N 1 0 323.481 1.574 50 0 DDAARO Cc1ccccc1OC1CN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072425696 191159764 /nfs/dbraw/zinc/15/97/64/191159764.db2.gz ATXAOMRJSNMPBC-UHFFFAOYSA-N 1 0 310.401 1.741 50 0 DDAARO CN1C[C@@]2(CCC[N@H+](Cc3cccc4nonc43)C2)OC1=O ZINC000072426425 191159874 /nfs/dbraw/zinc/15/98/74/191159874.db2.gz BIDYXYHBNCSZJG-OAHLLOKOSA-N 1 0 302.334 1.639 50 0 DDAARO CC(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccncc2)C[C@H]1O ZINC000072440344 191167941 /nfs/dbraw/zinc/16/79/41/191167941.db2.gz BUWCUKVYSLMLSG-LSDHHAIUSA-N 1 0 307.394 1.399 50 0 DDAARO CN(C)Cc1nnc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C ZINC000072472988 191175959 /nfs/dbraw/zinc/17/59/59/191175959.db2.gz WWUVIZBZYJWONZ-HNNXBMFYSA-N 1 0 314.437 1.651 50 0 DDAARO CCc1nc2c(c(NCCNc3cccnc3)n1)CC[NH2+]CC2 ZINC000072481463 191180596 /nfs/dbraw/zinc/18/05/96/191180596.db2.gz DFITULKIBANITA-UHFFFAOYSA-N 1 0 312.421 1.646 50 0 DDAARO c1ccc(C[NH+]2CCC(Nc3ccc4nnnn4n3)CC2)cc1 ZINC000054448043 352692041 /nfs/dbraw/zinc/69/20/41/352692041.db2.gz RLMCENQUBBKJMF-UHFFFAOYSA-N 1 0 309.377 1.596 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000072300572 353197269 /nfs/dbraw/zinc/19/72/69/353197269.db2.gz SKEBTNOXEWTDPJ-DOMZBBRYSA-N 1 0 321.446 1.928 50 0 DDAARO CS(=O)(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000075126864 353349787 /nfs/dbraw/zinc/34/97/87/353349787.db2.gz KIXHFXMIMRUNKY-VMPITWQZSA-N 1 0 308.447 1.961 50 0 DDAARO O=C(CC[NH2+]C[C@H]1CCCN1c1cccnn1)NC1CCCC1 ZINC000075584866 353369325 /nfs/dbraw/zinc/36/93/25/353369325.db2.gz BJYGFEKLFVFOGJ-OAHLLOKOSA-N 1 0 317.437 1.484 50 0 DDAARO NC(=O)c1cccc(C[NH2+]C[C@H]2CCCN2c2cccnn2)c1 ZINC000075584864 353369449 /nfs/dbraw/zinc/36/94/49/353369449.db2.gz ZBPGPBSBESAPOT-OAHLLOKOSA-N 1 0 311.389 1.334 50 0 DDAARO O[C@H](CN1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000097377972 353919730 /nfs/dbraw/zinc/91/97/30/353919730.db2.gz HTHLGLXROSHVEI-CQSZACIVSA-N 1 0 320.330 1.909 50 0 DDAARO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1 ZINC000003929508 181058062 /nfs/dbraw/zinc/05/80/62/181058062.db2.gz VSZGPKBBMSAYNT-RRFJBIMHSA-N 1 0 312.410 1.285 50 0 fda DDAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)C1CCOCC1 ZINC000230472967 354327387 /nfs/dbraw/zinc/32/73/87/354327387.db2.gz DPFJUUUINJDYAF-QWHCGFSZSA-N 1 0 304.456 1.205 50 0 DDAARO O=C(NCCCO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370678 354386663 /nfs/dbraw/zinc/38/66/63/354386663.db2.gz USGMFVJNHAVBGU-GVDBMIGSSA-N 1 0 317.433 1.579 50 0 DDAARO CCOc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ncn1 ZINC000253369665 354386791 /nfs/dbraw/zinc/38/67/91/354386791.db2.gz GMRFPNJPXXEXLP-KBPBESRZSA-N 1 0 306.410 1.301 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000257366018 354389560 /nfs/dbraw/zinc/38/95/60/354389560.db2.gz GFAVHBFEYDOYDL-RHSMWYFYSA-N 1 0 302.422 1.066 50 0 DDAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCOCC1 ZINC000584888110 354791224 /nfs/dbraw/zinc/79/12/24/354791224.db2.gz WZPDLBNPBHTQHV-CQSZACIVSA-N 1 0 307.394 1.533 50 0 DDAARO CC[N@@H+]1C[C@H](OC)[C@@H](n2cnc3cccc(OC)c3c2=O)C1 ZINC000584890476 354792225 /nfs/dbraw/zinc/79/22/25/354792225.db2.gz WFRXGEXEMLGHCD-JSGCOSHPSA-N 1 0 303.362 1.297 50 0 DDAARO CCN1CCC(CNc2ncccc2C(=O)NC)([NH+](C)C)CC1 ZINC000584899026 354798582 /nfs/dbraw/zinc/79/85/82/354798582.db2.gz WEHOIILHMGXBOT-UHFFFAOYSA-N 1 0 319.453 1.269 50 0 DDAARO C[N@H+](CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)CC(C)(C)C ZINC000585139587 354814109 /nfs/dbraw/zinc/81/41/09/354814109.db2.gz BFGFBCWHNMEUJW-HNNXBMFYSA-N 1 0 323.481 1.729 50 0 DDAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237161545 202172100 /nfs/dbraw/zinc/17/21/00/202172100.db2.gz ABYSNTJYYQTERK-INIZCTEOSA-N 1 0 303.406 1.234 50 0 DDAARO COc1ccc([C@@H](CC(=O)N2CCC[C@@H]2C[NH3+])NC(C)=O)cc1 ZINC000237198659 202186807 /nfs/dbraw/zinc/18/68/07/202186807.db2.gz CIXKIEPGGXWRHR-GDBMZVCRSA-N 1 0 319.405 1.212 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000237325126 202231126 /nfs/dbraw/zinc/23/11/26/202231126.db2.gz FUUQWLSYPJFERV-NEPJUHHUSA-N 1 0 310.419 1.290 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000237425191 202262564 /nfs/dbraw/zinc/26/25/64/202262564.db2.gz BVAHUYXUGBDKRC-LRDDRELGSA-N 1 0 303.406 1.522 50 0 DDAARO Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3C[NH3+])C2=O)cc1C ZINC000237639363 202314112 /nfs/dbraw/zinc/31/41/12/202314112.db2.gz ZXCRKKJGHPITMH-JKSUJKDBSA-N 1 0 315.417 1.606 50 0 DDAARO Cn1cc([C@@]2(C)CN(C(=O)[C@H]([NH3+])c3ccccc3)CCO2)cn1 ZINC000237710444 202335215 /nfs/dbraw/zinc/33/52/15/202335215.db2.gz LUTBIOTVFXCFHG-NVXWUHKLSA-N 1 0 314.389 1.194 50 0 DDAARO Cc1cc(CN2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)no1 ZINC000237729094 202340934 /nfs/dbraw/zinc/34/09/34/202340934.db2.gz SDVKWRPAQMZZRB-UONOGXRCSA-N 1 0 306.410 1.145 50 0 DDAARO C[C@@H]1COCC[C@H]1Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000195083209 201336404 /nfs/dbraw/zinc/33/64/04/201336404.db2.gz ZMISTYRLBBYHCV-KBRIMQKVSA-N 1 0 317.433 1.973 50 0 DDAARO CC1(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CC[NH2+]CC1 ZINC000091416759 193053332 /nfs/dbraw/zinc/05/33/32/193053332.db2.gz REBVMNCUDSKUOU-QGZVFWFLSA-N 1 0 316.445 1.960 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1Cn1cc(-c2ccccc2OCCO)nn1 ZINC000091830143 193114397 /nfs/dbraw/zinc/11/43/97/193114397.db2.gz NMIJYTRZDDCMHB-CQSZACIVSA-N 1 0 316.405 1.801 50 0 DDAARO COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000091860872 193119385 /nfs/dbraw/zinc/11/93/85/193119385.db2.gz IDRGOGIQWIQDJW-LLVKDONJSA-N 1 0 322.380 1.993 50 0 DDAARO C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 ZINC000089588354 296158766 /nfs/dbraw/zinc/15/87/66/296158766.db2.gz XTCMFVPPHMFJMN-ZIAGYGMSSA-N 1 0 305.422 1.651 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000106575863 284338112 /nfs/dbraw/zinc/33/81/12/284338112.db2.gz IENOZARTUUIRJG-ZBFHGGJFSA-N 1 0 317.433 1.664 50 0 DDAARO COc1ccccc1/C=C/CN1CC[NH+](CCOCCO)CC1 ZINC000019634108 182134342 /nfs/dbraw/zinc/13/43/42/182134342.db2.gz XJTUXVSBVZYCPH-GQCTYLIASA-N 1 0 320.433 1.335 50 0 DDAARO [NH3+]CCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000019898672 182161502 /nfs/dbraw/zinc/16/15/02/182161502.db2.gz UOCPCKLWTQVPRU-UHFFFAOYSA-N 1 0 307.394 1.208 50 0 DDAARO O=C(NCCN1CCOC1=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020232202 182199720 /nfs/dbraw/zinc/19/97/20/182199720.db2.gz LRBGQUDHABTQHS-SNVBAGLBSA-N 1 0 309.391 1.355 50 0 DDAARO Cc1ccc2[nH]c3c(ncn(CCN4CC[NH2+]CC4)c3=O)c2c1 ZINC000020841019 182248635 /nfs/dbraw/zinc/24/86/35/182248635.db2.gz RKLGYWHHBRHXTM-UHFFFAOYSA-N 1 0 311.389 1.091 50 0 DDAARO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OC ZINC000022076070 182308346 /nfs/dbraw/zinc/30/83/46/182308346.db2.gz IMUICGXXPOKYOA-UHFFFAOYSA-N 1 0 302.802 1.419 50 0 DDAARO C[C@@H](Cc1ccccn1)N(C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023581065 182363818 /nfs/dbraw/zinc/36/38/18/182363818.db2.gz ZTWYLTXSUIBOSB-AWEZNQCLSA-N 1 0 314.437 1.661 50 0 DDAARO Nc1nccnc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031958612 182630433 /nfs/dbraw/zinc/63/04/33/182630433.db2.gz IDMFQIPXCDSPQV-UHFFFAOYSA-N 1 0 321.450 1.150 50 0 DDAARO O=C(NCCCc1ccc(O)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101388567 193812443 /nfs/dbraw/zinc/81/24/43/193812443.db2.gz OZDKQKBGNAFGJE-MRXNPFEDSA-N 1 0 315.417 1.981 50 0 DDAARO c1ccc2[nH]c(CN3CCN(CC[NH+]4CCCC4)CC3)nc2c1 ZINC000035598324 182781778 /nfs/dbraw/zinc/78/17/78/182781778.db2.gz TUJSJFXPQZOLII-UHFFFAOYSA-N 1 0 313.449 1.776 50 0 DDAARO COc1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000041362435 183186690 /nfs/dbraw/zinc/18/66/90/183186690.db2.gz ZJQUCSXNKRCYFV-UHFFFAOYSA-N 1 0 305.422 1.453 50 0 DDAARO Cn1cc(CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000043143842 183340782 /nfs/dbraw/zinc/34/07/82/183340782.db2.gz RNBGIIJGGXMITC-CYBMUJFWSA-N 1 0 321.450 1.626 50 0 DDAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)c1ccoc1C ZINC000058309459 184103668 /nfs/dbraw/zinc/10/36/68/184103668.db2.gz HLEIAHIRUOLTMW-ZDUSSCGKSA-N 1 0 323.437 1.945 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000063194278 184277454 /nfs/dbraw/zinc/27/74/54/184277454.db2.gz BFVAMRPEMDJTHS-NOZJJQNGSA-N 1 0 304.362 1.855 50 0 DDAARO C[N@@H+]1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000065440559 184345467 /nfs/dbraw/zinc/34/54/67/184345467.db2.gz SVPSCBQLGKNBNQ-UHFFFAOYSA-N 1 0 305.378 1.305 50 0 DDAARO c1[nH]nnc1SCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000065525735 184359867 /nfs/dbraw/zinc/35/98/67/184359867.db2.gz XWFXAEXFXZIVSV-AWEZNQCLSA-N 1 0 303.435 1.761 50 0 DDAARO COc1cc2c(cc1C[NH2+]C[C@@H]1CN(C)CCO1)O[C@@H](C)C2 ZINC000065611288 184373308 /nfs/dbraw/zinc/37/33/08/184373308.db2.gz NATVBFDLAFDMRR-SWLSCSKDSA-N 1 0 306.406 1.439 50 0 DDAARO Cc1cccc(NC[C@@H]2CC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000065575371 184367552 /nfs/dbraw/zinc/36/75/52/184367552.db2.gz FCUXYLANBNENBH-ZDUSSCGKSA-N 1 0 319.409 1.099 50 0 DDAARO CC[NH+](CC)[C@H](CNC(=O)C1(C(=O)NC)CC1)c1ccco1 ZINC000065591198 184369773 /nfs/dbraw/zinc/36/97/73/184369773.db2.gz FPXNEDBZNLHNAQ-GFCCVEGCSA-N 1 0 307.394 1.305 50 0 DDAARO C[C@@H]1CC[C@H](C[N@H+]2CCN(C[C@H]3CC[C@H](C)O3)C[C@@H](O)C2)O1 ZINC000364520128 257235546 /nfs/dbraw/zinc/23/55/46/257235546.db2.gz VSJOGVMZXPJJTH-DRRXZNNHSA-N 1 0 312.454 1.100 50 0 DDAARO CS[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000270604691 257238050 /nfs/dbraw/zinc/23/80/50/257238050.db2.gz DLSUJEPFEWFJQM-CABCVRRESA-N 1 0 307.463 1.870 50 0 DDAARO CCC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000017248202 257243000 /nfs/dbraw/zinc/24/30/00/257243000.db2.gz MHFBDWJAWRUVOC-UHFFFAOYSA-N 1 0 317.437 1.834 50 0 DDAARO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc2c1OCCO2 ZINC000237230962 286193745 /nfs/dbraw/zinc/19/37/45/286193745.db2.gz YCBBQFVPZLLZQL-DGCLKSJQSA-N 1 0 320.389 1.808 50 0 DDAARO CS(=O)(=O)NCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000069874721 286614533 /nfs/dbraw/zinc/61/45/33/286614533.db2.gz FZLQEQIQDANNJR-UHFFFAOYSA-N 1 0 317.499 1.124 50 0 DDAARO CC[NH+](CC)CCNC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000001840821 406677681 /nfs/dbraw/zinc/67/76/81/406677681.db2.gz MJOCMNGPKKYZQK-UHFFFAOYSA-N 1 0 316.405 1.163 50 0 DDAARO Cc1nc(NC(=[NH2+])Nc2ccc3c(c2)OCCO3)[nH]c(=O)c1C ZINC000002484945 406688254 /nfs/dbraw/zinc/68/82/54/406688254.db2.gz IZNSLLCZSXPEKR-UHFFFAOYSA-N 1 0 315.333 1.617 50 0 DDAARO Cn1ncc(Br)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002767680 406698801 /nfs/dbraw/zinc/69/88/01/406698801.db2.gz HHURMLLKOPWPAY-VIFPVBQESA-N 1 0 313.199 1.103 50 0 DDAARO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069369531 406701899 /nfs/dbraw/zinc/70/18/99/406701899.db2.gz HMFUXQLYKHSLCW-HNNXBMFYSA-N 1 0 318.417 1.966 50 0 DDAARO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000069414803 406705681 /nfs/dbraw/zinc/70/56/81/406705681.db2.gz XZHMWVHMLYQEBP-AWEZNQCLSA-N 1 0 307.438 1.474 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2C)C1 ZINC000068493758 406646367 /nfs/dbraw/zinc/64/63/67/406646367.db2.gz IXFPTOQMTOVYRF-HNNXBMFYSA-N 1 0 306.406 1.458 50 0 DDAARO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000068493839 406647576 /nfs/dbraw/zinc/64/75/76/406647576.db2.gz PVTDZFMDTMCCGP-AWEZNQCLSA-N 1 0 306.406 1.783 50 0 DDAARO Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000069537372 406732312 /nfs/dbraw/zinc/73/23/12/406732312.db2.gz HQZBDXCVLGDUJT-CQSZACIVSA-N 1 0 305.422 1.110 50 0 DDAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000069532666 406732345 /nfs/dbraw/zinc/73/23/45/406732345.db2.gz RQRNPRTUDFFNOI-MRXNPFEDSA-N 1 0 320.433 1.631 50 0 DDAARO Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069742469 406765418 /nfs/dbraw/zinc/76/54/18/406765418.db2.gz FKZIIAROBIOAHK-NSHDSACASA-N 1 0 316.796 1.923 50 0 DDAARO Cc1nc(C(C)(C)C)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000069414527 406706535 /nfs/dbraw/zinc/70/65/35/406706535.db2.gz BGHMCFCWDHCFNX-UHFFFAOYSA-N 1 0 324.494 1.726 50 0 DDAARO C[N@H+](CCOc1cccc(Cl)c1)C[C@H](O)Cn1cccn1 ZINC000069453378 406715402 /nfs/dbraw/zinc/71/54/02/406715402.db2.gz TVQDVDGPGOVIHF-AWEZNQCLSA-N 1 0 309.797 1.908 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C(=O)NC)CCC1 ZINC000069491884 406723169 /nfs/dbraw/zinc/72/31/69/406723169.db2.gz BVORPEBUIFDMAD-KGLIPLIRSA-N 1 0 307.438 1.378 50 0 DDAARO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000004064654 406723755 /nfs/dbraw/zinc/72/37/55/406723755.db2.gz LLGXVYIDBJEJNB-BFHYXJOUSA-N 1 0 303.406 1.167 50 0 biogenic DDAARO Fc1cccc(-n2ccc(C[NH2+][C@@H]3CCc4ncnn4C3)n2)c1 ZINC000069848478 406781844 /nfs/dbraw/zinc/78/18/44/406781844.db2.gz YAMAWRLWCQRTNF-CQSZACIVSA-N 1 0 312.352 1.708 50 0 DDAARO CCC(C)(C)[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008749672 406794665 /nfs/dbraw/zinc/79/46/65/406794665.db2.gz UWAPFNKUGGAZLH-UHFFFAOYSA-N 1 0 307.350 1.842 50 0 DDAARO CCOCCN1CC[NH+](CCC(=O)NC2CCCCC2)CC1 ZINC000069897947 406789343 /nfs/dbraw/zinc/78/93/43/406789343.db2.gz BIMMQNKXKHNBGN-UHFFFAOYSA-N 1 0 311.470 1.480 50 0 DDAARO Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000070011811 406802540 /nfs/dbraw/zinc/80/25/40/406802540.db2.gz MPQXFHLDLIFJMY-HZPDHXFCSA-N 1 0 304.438 1.833 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H](C)n2cccn2)o1 ZINC000070040841 406807019 /nfs/dbraw/zinc/80/70/19/406807019.db2.gz UNGZLVATBBVKTB-KGLIPLIRSA-N 1 0 304.394 1.982 50 0 DDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc(-n2cncn2)c1 ZINC000070038282 406805963 /nfs/dbraw/zinc/80/59/63/406805963.db2.gz DXEJKIHEHBZLSL-GFCCVEGCSA-N 1 0 302.382 1.122 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000070173541 406810004 /nfs/dbraw/zinc/81/00/04/406810004.db2.gz HITABHYHNSAWDU-WCQYABFASA-N 1 0 300.399 1.715 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070177250 406811625 /nfs/dbraw/zinc/81/16/25/406811625.db2.gz MSRYNILLOOGWCS-BXUZGUMPSA-N 1 0 300.399 1.715 50 0 DDAARO C[NH+](C)CCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000010111490 406819752 /nfs/dbraw/zinc/81/97/52/406819752.db2.gz VLGYYJATMNLNNM-UHFFFAOYSA-N 1 0 308.806 1.850 50 0 DDAARO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OC ZINC000010435727 406822442 /nfs/dbraw/zinc/82/24/42/406822442.db2.gz NKJCPAOKEOIBTC-UHFFFAOYSA-N 1 0 303.786 1.846 50 0 DDAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 ZINC000011821530 406830978 /nfs/dbraw/zinc/83/09/78/406830978.db2.gz CFZWNBTYJPSPIB-SFHVURJKSA-N 1 0 319.449 1.879 50 0 DDAARO O=C(CCC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000011842118 406831843 /nfs/dbraw/zinc/83/18/43/406831843.db2.gz QBBJIMIOCVNDLL-INIZCTEOSA-N 1 0 310.438 1.374 50 0 DDAARO O=C(CCn1cncn1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012458088 406845812 /nfs/dbraw/zinc/84/58/12/406845812.db2.gz LXCMCWRSZATQSQ-INIZCTEOSA-N 1 0 319.453 1.829 50 0 DDAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000071825281 406848043 /nfs/dbraw/zinc/84/80/43/406848043.db2.gz XMKOVQOTIMYDFC-CYBMUJFWSA-N 1 0 313.405 1.583 50 0 DDAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(CC4CC4)no3)CC2)C1 ZINC000012595082 406848076 /nfs/dbraw/zinc/84/80/76/406848076.db2.gz XXZCPIUMSQINPT-OAHLLOKOSA-N 1 0 320.437 1.443 50 0 DDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]C1CCC1 ZINC000012589923 406848104 /nfs/dbraw/zinc/84/81/04/406848104.db2.gz BZJNHCADMFGRPU-KRWDZBQOSA-N 1 0 324.371 1.960 50 0 DDAARO CC(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012574342 406848520 /nfs/dbraw/zinc/84/85/20/406848520.db2.gz CSDCGQUIZFMFEH-QGZVFWFLSA-N 1 0 308.397 1.925 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000071878775 406859739 /nfs/dbraw/zinc/85/97/39/406859739.db2.gz RZSHARZMVPDYGA-LSDHHAIUSA-N 1 0 303.410 1.431 50 0 DDAARO C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000071897725 406863942 /nfs/dbraw/zinc/86/39/42/406863942.db2.gz WLHVVZNTBDULSK-DOTOQJQBSA-N 1 0 318.465 1.725 50 0 DDAARO COc1ccc(CCC(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000071905386 406865656 /nfs/dbraw/zinc/86/56/56/406865656.db2.gz MZGADAGLWLANPT-UHFFFAOYSA-N 1 0 320.433 1.855 50 0 DDAARO CN(C(=O)NCC(F)(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000071908628 406866601 /nfs/dbraw/zinc/86/66/01/406866601.db2.gz RKIFQKVLWDNNPL-LBPRGKRZSA-N 1 0 322.375 1.359 50 0 DDAARO COc1cc(OC)c(OC)cc1C[NH2+]CCCN1CCCC1=O ZINC000013727772 406867664 /nfs/dbraw/zinc/86/76/64/406867664.db2.gz IFOJSNRFBYETQZ-UHFFFAOYSA-N 1 0 322.405 1.815 50 0 DDAARO Cc1ccc(F)cc1NC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072144445 406873541 /nfs/dbraw/zinc/87/35/41/406873541.db2.gz JHTUKBSMYFNHNY-INIZCTEOSA-N 1 0 323.368 1.357 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000072149200 406873831 /nfs/dbraw/zinc/87/38/31/406873831.db2.gz XWVHXONLYGVAOL-QGZVFWFLSA-N 1 0 302.422 1.842 50 0 DDAARO CCCc1nc2c(cnn2C)c(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000072167431 406874969 /nfs/dbraw/zinc/87/49/69/406874969.db2.gz ORNTXSBWYVVRET-LBPRGKRZSA-N 1 0 302.426 1.704 50 0 DDAARO COc1ccc(CNC(=O)C[NH2+]CCn2cc(C)cn2)cc1 ZINC000072253063 406875191 /nfs/dbraw/zinc/87/51/91/406875191.db2.gz LQEAXROCPHGFOS-UHFFFAOYSA-N 1 0 302.378 1.106 50 0 DDAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072268326 406876531 /nfs/dbraw/zinc/87/65/31/406876531.db2.gz RGFGXBTWSWCZPT-CHWSQXEVSA-N 1 0 303.410 1.737 50 0 DDAARO CC(C)N1C(=O)N(C)C2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000014746125 406876696 /nfs/dbraw/zinc/87/66/96/406876696.db2.gz KNPAUZYASKQOTF-UHFFFAOYSA-N 1 0 316.405 1.719 50 0 DDAARO CCOC(=O)c1c(C)oc2nc(C)nc(N3CC[NH+](C)CC3)c21 ZINC000015727353 406880577 /nfs/dbraw/zinc/88/05/77/406880577.db2.gz DFNLTCHUQJEHCH-UHFFFAOYSA-N 1 0 318.377 1.768 50 0 DDAARO COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000074051908 406901016 /nfs/dbraw/zinc/90/10/16/406901016.db2.gz GZMPJFPYHAGWGT-DZGCQCFKSA-N 1 0 304.390 1.719 50 0 DDAARO Cc1cc(C)cc(N2C[C@@H](C(=O)NCC[NH+](C)C)CC2=O)c1 ZINC000034917992 406965350 /nfs/dbraw/zinc/96/53/50/406965350.db2.gz XMAWWFZRJLCNAG-AWEZNQCLSA-N 1 0 303.406 1.334 50 0 DDAARO C[N@@H+]1CCCN(C(=O)CN2c3ccccc3CCCC2=O)CC1 ZINC000032929367 406957196 /nfs/dbraw/zinc/95/71/96/406957196.db2.gz MZUQWZYTVXILNN-UHFFFAOYSA-N 1 0 315.417 1.520 50 0 DDAARO C[NH+]1CCC(NC(=O)c2ccc(Br)cc2O)CC1 ZINC000044490642 407024073 /nfs/dbraw/zinc/02/40/73/407024073.db2.gz NYWPGYDFUIMDNQ-UHFFFAOYSA-N 1 0 313.195 1.979 50 0 DDAARO O=c1[nH]c(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000078404481 407027084 /nfs/dbraw/zinc/02/70/84/407027084.db2.gz XODNWSIPCZHDEV-ZDUSSCGKSA-N 1 0 314.389 1.082 50 0 DDAARO COc1ncccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000044917524 407034189 /nfs/dbraw/zinc/03/41/89/407034189.db2.gz XFGSZNSJOLSDFN-UHFFFAOYSA-N 1 0 320.393 1.019 50 0 DDAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000045522275 407046024 /nfs/dbraw/zinc/04/60/24/407046024.db2.gz WAIYKMDNZIHPFS-CQSZACIVSA-N 1 0 301.390 1.665 50 0 DDAARO c1ncn(CCN2CC[NH+](CCSc3ccccc3)CC2)n1 ZINC000077378556 406988197 /nfs/dbraw/zinc/98/81/97/406988197.db2.gz MSINJTBSSVIIFX-UHFFFAOYSA-N 1 0 317.462 1.688 50 0 DDAARO Cn1ncc(N2CCO[C@H](CC[NH2+]C3CCCCC3)C2)cc1=O ZINC000077389775 406988565 /nfs/dbraw/zinc/98/85/65/406988565.db2.gz YLCDSNKICOLBBE-MRXNPFEDSA-N 1 0 320.437 1.298 50 0 DDAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCOc1ccccc1Cl ZINC000077470516 406992351 /nfs/dbraw/zinc/99/23/51/406992351.db2.gz JPQWBUUQGNZIKU-UHFFFAOYSA-N 1 0 323.780 1.393 50 0 DDAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCO ZINC000077488266 406993474 /nfs/dbraw/zinc/99/34/74/406993474.db2.gz NGTFPZKDLBGMRZ-KRWDZBQOSA-N 1 0 303.406 1.279 50 0 DDAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000084753049 407094415 /nfs/dbraw/zinc/09/44/15/407094415.db2.gz NBCTWURAAXQCOE-HNNXBMFYSA-N 1 0 304.390 1.806 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000048301564 407095274 /nfs/dbraw/zinc/09/52/74/407095274.db2.gz FZVFPOIUYUITAJ-AWEZNQCLSA-N 1 0 316.405 1.421 50 0 DDAARO O=C(CCCc1ccccc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436663 407101553 /nfs/dbraw/zinc/10/15/53/407101553.db2.gz MDJWDWJJTWSNHO-SFHVURJKSA-N 1 0 316.445 1.924 50 0 DDAARO CCOC(=O)C1=C(C[NH2+]C(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000085993820 407107421 /nfs/dbraw/zinc/10/74/21/407107421.db2.gz DDHMBVNURQZUEI-HNNXBMFYSA-N 1 0 317.389 1.856 50 0 DDAARO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000046035087 407053395 /nfs/dbraw/zinc/05/33/95/407053395.db2.gz BNBSMVRCSATVTJ-ZDUSSCGKSA-N 1 0 324.446 1.632 50 0 DDAARO CNC(=O)[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000051093130 407136343 /nfs/dbraw/zinc/13/63/43/407136343.db2.gz DTZRWPSXELZMPP-INIZCTEOSA-N 1 0 303.406 1.466 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000089591650 407140991 /nfs/dbraw/zinc/14/09/91/407140991.db2.gz MCBYPWBJVFOBBO-HNNXBMFYSA-N 1 0 322.453 1.536 50 0 DDAARO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000051823426 407144205 /nfs/dbraw/zinc/14/42/05/407144205.db2.gz YDBIERRLDQFJSV-OAHLLOKOSA-N 1 0 305.422 1.370 50 0 DDAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)NC(N)=O ZINC000052397171 407150348 /nfs/dbraw/zinc/15/03/48/407150348.db2.gz HVUNVFIOHZEHAZ-GFCCVEGCSA-N 1 0 306.410 1.201 50 0 DDAARO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000089873043 407155532 /nfs/dbraw/zinc/15/55/32/407155532.db2.gz GKRDWHINIFJTNY-ZDUSSCGKSA-N 1 0 306.387 1.607 50 0 DDAARO CC1(C)[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000089917439 407158656 /nfs/dbraw/zinc/15/86/56/407158656.db2.gz KUMLBHWFNYVVIN-BARDWOONSA-N 1 0 307.438 1.583 50 0 DDAARO CC(C)[NH+]1CCC(C(=O)N2CCC(c3nncn3C)CC2)CC1 ZINC000095359218 407209282 /nfs/dbraw/zinc/20/92/82/407209282.db2.gz XJHDPAGATHOVTA-UHFFFAOYSA-N 1 0 319.453 1.642 50 0 DDAARO C[N@H+](CC1(CO)COC1)C1CCN(c2cccc(F)c2)CC1 ZINC000095964963 407217901 /nfs/dbraw/zinc/21/79/01/407217901.db2.gz DJCANYRYSJQJJQ-UHFFFAOYSA-N 1 0 308.397 1.735 50 0 DDAARO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)Cn1cccn1 ZINC000095996177 407222021 /nfs/dbraw/zinc/22/20/21/407222021.db2.gz QQBSKWINMSEOPP-OAGGEKHMSA-N 1 0 319.453 1.645 50 0 DDAARO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2ccc(C)nc2)CC1 ZINC000095993686 407222157 /nfs/dbraw/zinc/22/21/57/407222157.db2.gz HZUCTVPNVLQLAK-KXPUMZMLSA-N 1 0 316.449 1.545 50 0 DDAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC1CCCC1 ZINC000060460739 407225205 /nfs/dbraw/zinc/22/52/05/407225205.db2.gz WWAOHDKITIMCDK-UHFFFAOYSA-N 1 0 302.422 1.653 50 0 DDAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000065244548 407241321 /nfs/dbraw/zinc/24/13/21/407241321.db2.gz GZIFQCNTVCCLRW-BZNIZROVSA-N 1 0 324.371 1.989 50 0 DDAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1cccnc1)Cc1cccnc1 ZINC000102000588 407318931 /nfs/dbraw/zinc/31/89/31/407318931.db2.gz YDCVATBXRNTWCY-FVQHAEBGSA-N 1 0 308.385 1.471 50 0 DDAARO CN1CC[NH+](CCCCNC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000096439064 407266581 /nfs/dbraw/zinc/26/65/81/407266581.db2.gz XQKMFHYVSRHMRN-UHFFFAOYSA-N 1 0 322.497 1.990 50 0 DDAARO C[NH+](C)CCNC(=O)Nc1ccn(-c2ncccc2Cl)n1 ZINC000097052310 407277311 /nfs/dbraw/zinc/27/73/11/407277311.db2.gz NUEANYPANBYMHW-UHFFFAOYSA-N 1 0 308.773 1.604 50 0 DDAARO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000067642197 407278552 /nfs/dbraw/zinc/27/85/52/407278552.db2.gz CPDBKRLMHVJCKN-OAHLLOKOSA-N 1 0 309.435 1.643 50 0 DDAARO [NH3+]C[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 ZINC000067678351 407279152 /nfs/dbraw/zinc/27/91/52/407279152.db2.gz NPVPGPSTYIENEY-MRXNPFEDSA-N 1 0 323.400 1.556 50 0 DDAARO CC(=O)NC1CC[NH+](Cc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000067726526 407282672 /nfs/dbraw/zinc/28/26/72/407282672.db2.gz QGBUDSKPPICDPU-UHFFFAOYSA-N 1 0 313.401 1.937 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000097159983 407283748 /nfs/dbraw/zinc/28/37/48/407283748.db2.gz CSVFIIUJLCLKMV-HNNXBMFYSA-N 1 0 303.410 1.393 50 0 DDAARO O=C(Nc1ccnn1C1CC[NH+](CCO)CC1)C1CCCC1 ZINC000067804172 407285346 /nfs/dbraw/zinc/28/53/46/407285346.db2.gz KLOYNPSABKXPLF-UHFFFAOYSA-N 1 0 306.410 1.641 50 0 DDAARO Cn1c2ccccc2nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=O ZINC000097201530 407286436 /nfs/dbraw/zinc/28/64/36/407286436.db2.gz NUBNXRVVNQVHPP-ZDUSSCGKSA-N 1 0 313.401 1.934 50 0 DDAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067850269 407287499 /nfs/dbraw/zinc/28/74/99/407287499.db2.gz ZQQBREMIBDOKNY-OTYXRUKQSA-N 1 0 319.336 1.074 50 0 DDAARO Cc1nnnn1-c1cccc(C(=O)Nc2cnc3n2CCCC3)c1 ZINC000067872503 407288052 /nfs/dbraw/zinc/28/80/52/407288052.db2.gz XYMLSBKOFNHOPI-UHFFFAOYSA-N 1 0 323.360 1.756 50 0 DDAARO O=C(CCN1CCCCCC1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067909573 407290358 /nfs/dbraw/zinc/29/03/58/407290358.db2.gz IWSYSBGSTIYHKA-KRWDZBQOSA-N 1 0 307.438 1.381 50 0 DDAARO CC(C)=CC(=O)NC[C@H]1CC[N@H+](CC(C)(C)N2CCOCC2)C1 ZINC000067909682 407290390 /nfs/dbraw/zinc/29/03/90/407290390.db2.gz BXDOOHWUKDAURO-MRXNPFEDSA-N 1 0 323.481 1.502 50 0 DDAARO COc1ccc2cc(CN3CC[N@H+](C)[C@H](C)C3)c(=O)[nH]c2c1 ZINC000067964723 407292207 /nfs/dbraw/zinc/29/22/07/407292207.db2.gz YTPWIORCQCUSJR-GFCCVEGCSA-N 1 0 301.390 1.673 50 0 DDAARO OCCC[N@@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H](O)C1 ZINC000097638038 407301403 /nfs/dbraw/zinc/30/14/03/407301403.db2.gz UJFRXFQDDJLLSE-INIZCTEOSA-N 1 0 303.406 1.029 50 0 DDAARO CNc1cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)ccn1 ZINC000097713552 407301682 /nfs/dbraw/zinc/30/16/82/407301682.db2.gz LKPOAFMLEDKVES-UHFFFAOYSA-N 1 0 320.462 1.777 50 0 DDAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000195577395 407468627 /nfs/dbraw/zinc/46/86/27/407468627.db2.gz QMTZQQPSNVDVJM-STQMWFEESA-N 1 0 311.451 1.238 50 0 DDAARO C[C@H]1Sc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2NC1=O ZINC000178535488 407485682 /nfs/dbraw/zinc/48/56/82/407485682.db2.gz XDLVCFMTGFDDIY-ZJUUUORDSA-N 1 0 305.403 1.540 50 0 DDAARO Cc1cc(C(=O)N2CC[C@@H]3CN(Cc4ccncc4)[C@@H]3C2)on1 ZINC000257196952 407490786 /nfs/dbraw/zinc/49/07/86/407490786.db2.gz ZERSAOXRSFQUDJ-HUUCEWRRSA-N 1 0 312.373 1.725 50 0 DDAARO Cc1cccc(C[NH+]2CCN(c3nc4n[nH]cc4c(=O)[nH]3)CC2)c1 ZINC000170598783 407448229 /nfs/dbraw/zinc/44/82/29/407448229.db2.gz HXXMPEPICJSIKY-UHFFFAOYSA-N 1 0 324.388 1.277 50 0 DDAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000170597499 407449341 /nfs/dbraw/zinc/44/93/41/407449341.db2.gz VHONGBJYFGTWDC-VNHYZAJKSA-N 1 0 321.421 1.585 50 0 DDAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000128835590 407574995 /nfs/dbraw/zinc/57/49/95/407574995.db2.gz MUFQFWASWPAJMN-OAHLLOKOSA-N 1 0 314.389 1.347 50 0 DDAARO CCc1ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)[nH]1 ZINC000220298200 407542078 /nfs/dbraw/zinc/54/20/78/407542078.db2.gz LNFSUDJBGYAQSX-UHFFFAOYSA-N 1 0 305.422 1.638 50 0 DDAARO COCCOCC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000221297303 407546266 /nfs/dbraw/zinc/54/62/66/407546266.db2.gz JHPGGAYECUIRRV-UHFFFAOYSA-N 1 0 320.433 1.429 50 0 DDAARO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc3ccccn23)C1(C)C ZINC000186588965 407712665 /nfs/dbraw/zinc/71/26/65/407712665.db2.gz AGSJHAVVMBWGCQ-RHSMWYFYSA-N 1 0 303.406 1.990 50 0 DDAARO CC(C)Cn1ncc2cc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cnc21 ZINC000153387219 407812076 /nfs/dbraw/zinc/81/20/76/407812076.db2.gz OFSKLSWKWRODCP-STQMWFEESA-N 1 0 315.421 1.910 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000237448553 407819435 /nfs/dbraw/zinc/81/94/35/407819435.db2.gz GQFDJHRMKMFBJF-NHYWBVRUSA-N 1 0 301.390 1.913 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000133726757 407870099 /nfs/dbraw/zinc/87/00/99/407870099.db2.gz FRIMXTBFLCMWLZ-INIZCTEOSA-N 1 0 315.417 1.633 50 0 DDAARO Cc1nc(F)ccc1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000241173095 407909066 /nfs/dbraw/zinc/90/90/66/407909066.db2.gz KGASPPPXFHQQOG-CYBMUJFWSA-N 1 0 303.341 1.158 50 0 DDAARO CC(=O)NC1CCC([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000133488388 407850962 /nfs/dbraw/zinc/85/09/62/407850962.db2.gz HYTAYWVTDSQEHO-YMAMQOFZSA-N 1 0 319.453 1.753 50 0 DDAARO CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154054429 407962644 /nfs/dbraw/zinc/96/26/44/407962644.db2.gz HDPXNRXKRKTCSO-BETUJISGSA-N 1 0 324.446 1.691 50 0 DDAARO Nc1nc(N2CCc3sccc3C2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000243901845 407922191 /nfs/dbraw/zinc/92/21/91/407922191.db2.gz BERBWCRZEJBSHY-PHIMTYICSA-N 1 0 302.403 1.921 50 0 DDAARO Cc1ccnn1CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000243932109 407925289 /nfs/dbraw/zinc/92/52/89/407925289.db2.gz BSXVLWSCKRKWJL-UHFFFAOYSA-N 1 0 310.445 1.977 50 0 DDAARO C[NH+](C)CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244678968 407930384 /nfs/dbraw/zinc/93/03/84/407930384.db2.gz INGAQBOYMSRLIH-VBQJREDUSA-N 1 0 304.390 1.111 50 0 DDAARO CCN1CCN(C(=O)c2cc(C[NH+](CC)CC)oc2C)CC1=O ZINC000244734627 407934737 /nfs/dbraw/zinc/93/47/37/407934737.db2.gz NJBPUNWQHWVEKA-UHFFFAOYSA-N 1 0 321.421 1.734 50 0 DDAARO CCN(CC(=O)Nc1ccn(C)n1)C[C@H](O)c1cccc(O)c1 ZINC000244816745 407939570 /nfs/dbraw/zinc/93/95/70/407939570.db2.gz SNSHYVNSTKDKDD-AWEZNQCLSA-N 1 0 318.377 1.120 50 0 DDAARO Cn1cc(C[N@H+](C)CCC(=O)NCc2ccccc2F)cn1 ZINC000244874470 407941448 /nfs/dbraw/zinc/94/14/48/407941448.db2.gz XBTWIJJLKSAEQJ-UHFFFAOYSA-N 1 0 304.369 1.698 50 0 DDAARO CN(C(=O)C[N@@H+]1CCC[C@H]1CO)[C@H]1CCCc2ccccc21 ZINC000246407330 408249428 /nfs/dbraw/zinc/24/94/28/408249428.db2.gz KNNUZTPCFLPYII-RDJZCZTQSA-N 1 0 302.418 1.979 50 0 DDAARO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247732024 408507075 /nfs/dbraw/zinc/50/70/75/408507075.db2.gz HXDMZDSVEOLJIM-ZWKOTPCHSA-N 1 0 315.417 1.925 50 0 DDAARO COc1cccc2c1CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)C2 ZINC000192447585 408589742 /nfs/dbraw/zinc/58/97/42/408589742.db2.gz OTTWJNCALLNBNM-CYBMUJFWSA-N 1 0 314.389 1.295 50 0 DDAARO C[C@H](C(=O)NCc1ccco1)[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000253376448 408813366 /nfs/dbraw/zinc/81/33/66/408813366.db2.gz TXTCSAGYDHUVHM-KGLIPLIRSA-N 1 0 302.378 1.645 50 0 DDAARO C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CCO1 ZINC000408145584 164241746 /nfs/dbraw/zinc/24/17/46/164241746.db2.gz UAOZPHVVPZKMNS-QLFBSQMISA-N 1 0 318.483 1.595 50 0 DDAARO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@]1(CO)CCOC1 ZINC000332180558 409952935 /nfs/dbraw/zinc/95/29/35/409952935.db2.gz WLWGPMHPTGCMKB-HNNXBMFYSA-N 1 0 313.781 1.694 50 0 DDAARO Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000330183261 410575952 /nfs/dbraw/zinc/57/59/52/410575952.db2.gz PSNARQGHZBJBQF-CQSZACIVSA-N 1 0 320.437 1.985 50 0 DDAARO C[NH+](C)[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000299775202 410617251 /nfs/dbraw/zinc/61/72/51/410617251.db2.gz 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418502882 /nfs/dbraw/zinc/50/28/82/418502882.db2.gz CHGVADBLHUITPX-GFCCVEGCSA-N 1 0 305.378 1.925 50 0 DDAARO Cc1cc(C)nc(CCNc2cc(C3CC(O)C3)[nH+]c(N)n2)n1 ZINC000220183149 418561182 /nfs/dbraw/zinc/56/11/82/418561182.db2.gz NAPIWIQSRJQLMK-UHFFFAOYSA-N 1 0 314.393 1.359 50 0 DDAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COC[C@H]1CCCO1 ZINC000241653334 222212189 /nfs/dbraw/zinc/21/21/89/222212189.db2.gz PUHBRKNNQQZDTG-LSDHHAIUSA-N 1 0 323.389 1.404 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000241262024 222212238 /nfs/dbraw/zinc/21/22/38/222212238.db2.gz LAQMACZONGDEOM-GHMZBOCLSA-N 1 0 315.439 1.833 50 0 DDAARO Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000408513679 418806457 /nfs/dbraw/zinc/80/64/57/418806457.db2.gz SUXXQQHWUWRFAW-MRXNPFEDSA-N 1 0 312.417 1.834 50 0 DDAARO Cc1cnc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)cn1 ZINC000426503009 419491275 /nfs/dbraw/zinc/49/12/75/419491275.db2.gz OKICQGBBBVDIGF-LLVKDONJSA-N 1 0 304.423 1.673 50 0 DDAARO 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O[C@@]1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCc2ccccc21 ZINC000848536800 703561864 /nfs/dbraw/zinc/56/18/64/703561864.db2.gz WPZDUXXZFAYYDM-IEBWSBKVSA-N 1 0 316.445 1.663 50 0 DDAARO CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H]([NH3+])C2CCOCC2)C1 ZINC000958528304 716612319 /nfs/dbraw/zinc/61/23/19/716612319.db2.gz LXZZMGQJSLNCAG-WFASDCNBSA-N 1 0 300.399 1.112 50 0 DDAARO Cc1ccc2[nH]c(CNC(=O)CN3CCC[N@@H+](C)CC3)nc2c1 ZINC000823778377 758354657 /nfs/dbraw/zinc/35/46/57/758354657.db2.gz QGFHVSIPOQBCFW-UHFFFAOYSA-N 1 0 315.421 1.125 50 0 DDAARO Cc1nn(C)c(C)c1CCC(=O)NCCNc1cc[nH+]cc1C ZINC000827820396 759380724 /nfs/dbraw/zinc/38/07/24/759380724.db2.gz GUJMKODYVMJQLJ-UHFFFAOYSA-N 1 0 315.421 1.323 50 0 DDAARO Cn1cc(CN2CC[C@H](CO)[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000581798969 761706388 /nfs/dbraw/zinc/70/63/88/761706388.db2.gz FPFXXLZSMSLLKN-RDTXWAMCSA-N 1 0 301.434 1.923 50 0 DDAARO Cc1csc2nc(CN3CCC(C)([NH+](C)C)CC3)cc(=O)n12 ZINC000585133654 771965533 /nfs/dbraw/zinc/96/55/33/771965533.db2.gz PGPKWPUQHYLDII-UHFFFAOYSA-N 1 0 320.462 1.981 50 0 DDAARO Cn1ncnc1C1(O)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000952881201 775634883 /nfs/dbraw/zinc/63/48/83/775634883.db2.gz KRGXXVXILZTXCT-OAHLLOKOSA-N 1 0 316.380 1.925 50 0 DDAARO COc1ccccc1NCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000079044657 185148653 /nfs/dbraw/zinc/14/86/53/185148653.db2.gz YTPVIRCEHQGNHW-AWEZNQCLSA-N 1 0 305.422 1.954 50 0 DDAARO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000079100439 185158379 /nfs/dbraw/zinc/15/83/79/185158379.db2.gz OVPUVNZWTXKMRH-MOPGFXCFSA-N 1 0 318.461 1.733 50 0 DDAARO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000079354181 185166579 /nfs/dbraw/zinc/16/65/79/185166579.db2.gz HTHVUGIRNLHBHC-XHSDSOJGSA-N 1 0 312.454 1.951 50 0 DDAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000216011472 539264317 /nfs/dbraw/zinc/26/43/17/539264317.db2.gz WEFDKNPYYNTLNU-KRWDZBQOSA-N 1 0 324.428 1.697 50 0 DDAARO CC(C)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000082138383 192360626 /nfs/dbraw/zinc/36/06/26/192360626.db2.gz KSNPVAZXFQTHLC-UHFFFAOYSA-N 1 0 313.405 1.901 50 0 DDAARO O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095391500 185351531 /nfs/dbraw/zinc/35/15/31/185351531.db2.gz JAQOEPRLUSVSDQ-WMLDXEAASA-N 1 0 315.417 1.797 50 0 DDAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCc3ccccn3)C2)no1 ZINC000095402242 185354643 /nfs/dbraw/zinc/35/46/43/185354643.db2.gz BQBZDQJFLVYTAF-OAHLLOKOSA-N 1 0 301.394 1.522 50 0 DDAARO COc1ccc(C[NH2+]CCOC(N)=O)cc1Br ZINC000095460247 185370661 /nfs/dbraw/zinc/37/06/61/185370661.db2.gz WAOKCHRLVISGPX-UHFFFAOYSA-N 1 0 303.156 1.643 50 0 DDAARO CC(C)Cn1nc(C(=O)N2CC[C@H]([NH3+])C2)c2ccccc2c1=O ZINC000097019619 185398095 /nfs/dbraw/zinc/39/80/95/185398095.db2.gz LCWNGWMRNZAWRN-LBPRGKRZSA-N 1 0 314.389 1.226 50 0 DDAARO Cn1ccnc1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000083476669 192370832 /nfs/dbraw/zinc/37/08/32/192370832.db2.gz VILRLCSKMCHVLJ-UHFFFAOYSA-N 1 0 306.454 1.792 50 0 DDAARO CC1CCC(O)(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C(N)=O)CC1 ZINC000685939861 539564588 /nfs/dbraw/zinc/56/45/88/539564588.db2.gz MMAVWQCWGAOTEB-TVIZTDCDSA-N 1 0 320.437 1.977 50 0 DDAARO Cc1cocc1C(=O)N1Cc2nnc(C)n2C[C@@H]1C[NH+](C)C ZINC000685943223 539567843 /nfs/dbraw/zinc/56/78/43/539567843.db2.gz TYAUSPFOSDXDDW-LBPRGKRZSA-N 1 0 303.366 1.074 50 0 DDAARO Cc1cccc2[nH]c(COCC(=O)N3CCC[C@@H]([NH3+])CC3)nc21 ZINC000072157299 191061238 /nfs/dbraw/zinc/06/12/38/191061238.db2.gz ZIWKEQJRKMYSIC-CYBMUJFWSA-N 1 0 316.405 1.728 50 0 DDAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000072235061 191080459 /nfs/dbraw/zinc/08/04/59/191080459.db2.gz WPOUDEYQHSCZNG-MRXNPFEDSA-N 1 0 313.405 1.817 50 0 DDAARO C[NH+](C)CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccs1 ZINC000072239725 191083134 /nfs/dbraw/zinc/08/31/34/191083134.db2.gz WJFDVTYOQCWSCZ-CYBMUJFWSA-N 1 0 309.435 1.307 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000237457514 186292287 /nfs/dbraw/zinc/29/22/87/186292287.db2.gz 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Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069779063 406770924 /nfs/dbraw/zinc/77/09/24/406770924.db2.gz NSLCFDDGANMAED-LXTVHRRPSA-N 1 0 308.426 1.366 50 0 DDAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069521111 406728720 /nfs/dbraw/zinc/72/87/20/406728720.db2.gz FUUKTQMZVRWHLJ-YHUYYLMFSA-N 1 0 310.438 1.656 50 0 DDAARO Clc1cc(C[NH2+][C@@H]2CCc3ncnn3C2)cc2c1OCO2 ZINC000069843637 406777776 /nfs/dbraw/zinc/77/77/76/406777776.db2.gz CTALZIFGEISBHE-SNVBAGLBSA-N 1 0 306.753 1.765 50 0 DDAARO Cc1cc(N2CCN(C[C@@H](O)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000069842854 406778523 /nfs/dbraw/zinc/77/85/23/406778523.db2.gz NHSRWMLIEPFZKI-OAHLLOKOSA-N 1 0 313.405 1.223 50 0 DDAARO CN(C)C(=O)c1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000069819198 406779308 /nfs/dbraw/zinc/77/93/08/406779308.db2.gz DWJVDUQSVDMVKQ-INIZCTEOSA-N 1 0 305.422 1.151 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)c1 ZINC000069810172 406773824 /nfs/dbraw/zinc/77/38/24/406773824.db2.gz SHAJOGJKIOYTQB-ZIAGYGMSSA-N 1 0 311.389 1.939 50 0 DDAARO CC[NH+](CC)CCNC(=O)CCc1n[nH]c(=O)c2ccccc12 ZINC000008578876 406790225 /nfs/dbraw/zinc/79/02/25/406790225.db2.gz PPPIWWASDORZEQ-UHFFFAOYSA-N 1 0 316.405 1.314 50 0 DDAARO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(C)on2)C[C@@H]1CC ZINC000070008403 406800800 /nfs/dbraw/zinc/80/08/00/406800800.db2.gz PLHBSEJTVPUBHL-AWEZNQCLSA-N 1 0 324.425 1.354 50 0 DDAARO CC[C@H](C)n1nccc1NC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000070004985 406801864 /nfs/dbraw/zinc/80/18/64/406801864.db2.gz XRMAUVPMEXUMPO-STQMWFEESA-N 1 0 304.398 1.667 50 0 DDAARO O=C([C@@H]1COc2ccccc2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000070719217 406823131 /nfs/dbraw/zinc/82/31/31/406823131.db2.gz SAUJUKFXZBTBOJ-INIZCTEOSA-N 1 0 323.396 1.982 50 0 DDAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1C1CCC1 ZINC000011716595 406830491 /nfs/dbraw/zinc/83/04/91/406830491.db2.gz ULGNQGZXVSMIAI-OAHLLOKOSA-N 1 0 312.377 1.618 50 0 DDAARO COC[C@@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011933064 406832007 /nfs/dbraw/zinc/83/20/07/406832007.db2.gz XJSQQLPTQXPXSA-LLVKDONJSA-N 1 0 317.345 1.934 50 0 DDAARO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cn2)CC1 ZINC000071823577 406847715 /nfs/dbraw/zinc/84/77/15/406847715.db2.gz JSAQABULXALYFI-OAHLLOKOSA-N 1 0 314.433 1.806 50 0 DDAARO Cc1n[nH]c(C(=O)N2CCC([NH+](C)C)CC2)c1Br ZINC000071828405 406848359 /nfs/dbraw/zinc/84/83/59/406848359.db2.gz ROSMFMVBGANCJP-UHFFFAOYSA-N 1 0 315.215 1.647 50 0 DDAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000012743686 406850598 /nfs/dbraw/zinc/85/05/98/406850598.db2.gz LCSCFNPQDMSKCN-UHFFFAOYSA-N 1 0 316.373 1.870 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)C[C@@H]3CCCCO3)C2)no1 ZINC000071870486 406857227 /nfs/dbraw/zinc/85/72/27/406857227.db2.gz KWQOSBHEXVXOIU-CABCVRRESA-N 1 0 308.426 1.843 50 0 DDAARO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1CC ZINC000013069454 406858543 /nfs/dbraw/zinc/85/85/43/406858543.db2.gz ITKDFDFVRPSODR-JHJVBQTASA-N 1 0 323.437 1.873 50 0 DDAARO Cc1ccc2nc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)cc(=O)n2c1 ZINC000071882086 406861433 /nfs/dbraw/zinc/86/14/33/406861433.db2.gz NFVWNPLUNXSRJM-UONOGXRCSA-N 1 0 311.389 1.939 50 0 DDAARO C[NH+]1CCN(CCNC(=O)C[C@H]2CCc3ccccc3C2)CC1 ZINC000071899387 406863903 /nfs/dbraw/zinc/86/39/03/406863903.db2.gz FJSPMNGMNQOZOE-INIZCTEOSA-N 1 0 315.461 1.545 50 0 DDAARO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000071904373 406865869 /nfs/dbraw/zinc/86/58/69/406865869.db2.gz INKMLYGDHKETLL-KRWDZBQOSA-N 1 0 314.385 1.960 50 0 DDAARO CC[C@H]1CN(c2nc(C)cc(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000072276336 406877891 /nfs/dbraw/zinc/87/78/91/406877891.db2.gz YRPCXCIUJZBLCR-KGLIPLIRSA-N 1 0 307.442 1.132 50 0 DDAARO CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1 ZINC000020567543 406888042 /nfs/dbraw/zinc/88/80/42/406888042.db2.gz ULSCUCQVDRCPNV-LBPRGKRZSA-N 1 0 314.389 1.818 50 0 DDAARO Cc1ccc(C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C(C)C)o1 ZINC000071811021 406845271 /nfs/dbraw/zinc/84/52/71/406845271.db2.gz YWZOSIPXIZOYBU-UHFFFAOYSA-N 1 0 305.378 1.396 50 0 DDAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000035421824 406971783 /nfs/dbraw/zinc/97/17/83/406971783.db2.gz AYSUTHGPGGNHQX-UHFFFAOYSA-N 1 0 303.406 1.279 50 0 DDAARO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[NH2+]CCO1 ZINC000035605741 406973479 /nfs/dbraw/zinc/97/34/79/406973479.db2.gz GYJOZTWAGQNZKH-GFCCVEGCSA-N 1 0 320.414 1.938 50 0 DDAARO O=S(=O)(NCCc1[nH+]cc2ccccn21)c1ccc(F)cc1 ZINC000031773152 406942810 /nfs/dbraw/zinc/94/28/10/406942810.db2.gz YDAHGVBMTMUOMS-UHFFFAOYSA-N 1 0 319.361 1.994 50 0 DDAARO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000075900695 406945763 /nfs/dbraw/zinc/94/57/63/406945763.db2.gz RVTYUYUWMDHXRW-RISCZKNCSA-N 1 0 305.353 1.760 50 0 DDAARO O=C(CN1CCCC1=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761796 406952718 /nfs/dbraw/zinc/95/27/18/406952718.db2.gz AJXXORIPJPUOPN-ZDUSSCGKSA-N 1 0 321.446 1.624 50 0 DDAARO CN1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1=O ZINC000044911734 407032953 /nfs/dbraw/zinc/03/29/53/407032953.db2.gz OGXDPRFYQBLHDP-UONOGXRCSA-N 1 0 319.405 1.401 50 0 DDAARO CCOC[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000078700040 407042477 /nfs/dbraw/zinc/04/24/77/407042477.db2.gz CWPIZKKYXWKVPJ-INIZCTEOSA-N 1 0 312.454 1.545 50 0 DDAARO CSc1nc(N[C@H]2CCOC3(CCOCC3)C2)cc(N)[nH+]1 ZINC000077356766 406986302 /nfs/dbraw/zinc/98/63/02/406986302.db2.gz DTODMHFMEWIQOD-JTQLQIEISA-N 1 0 310.423 1.921 50 0 DDAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCO ZINC000077488270 406993118 /nfs/dbraw/zinc/99/31/18/406993118.db2.gz NGTFPZKDLBGMRZ-QGZVFWFLSA-N 1 0 303.406 1.279 50 0 DDAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000085557064 407103892 /nfs/dbraw/zinc/10/38/92/407103892.db2.gz CZXFHAXDAGAZPQ-ZDUSSCGKSA-N 1 0 304.394 1.188 50 0 DDAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCCNC1=O)O[C@H](C)C2 ZINC000085876844 407107021 /nfs/dbraw/zinc/10/70/21/407107021.db2.gz DPIPYWPGHOPPGS-BXUZGUMPSA-N 1 0 304.390 1.777 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCO)C1CC1)c1cccs1 ZINC000089312240 407130416 /nfs/dbraw/zinc/13/04/16/407130416.db2.gz MMWGHNMFCDVBHG-QWHCGFSZSA-N 1 0 311.451 1.811 50 0 DDAARO COCC[N@H+](C)CCNC(=O)c1cccc(C2OCCO2)c1 ZINC000089346264 407131645 /nfs/dbraw/zinc/13/16/45/407131645.db2.gz WEGFVIIMLNFCTE-UHFFFAOYSA-N 1 0 308.378 1.040 50 0 DDAARO CC(C)(C)OC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000089662519 407143163 /nfs/dbraw/zinc/14/31/63/407143163.db2.gz SLGGXAYHZKPSDL-OAHLLOKOSA-N 1 0 306.406 1.930 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000089761591 407147121 /nfs/dbraw/zinc/14/71/21/407147121.db2.gz ZTQWGCQOTYUQLC-UHFFFAOYSA-N 1 0 322.453 1.726 50 0 DDAARO COC[C@](C)(CCO)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000089941401 407161057 /nfs/dbraw/zinc/16/10/57/407161057.db2.gz RJZFSLJPIAFUIB-SJCJKPOMSA-N 1 0 309.406 1.896 50 0 DDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000053203102 407165865 /nfs/dbraw/zinc/16/58/65/407165865.db2.gz FCGAVTKEVQUOGD-JTQLQIEISA-N 1 0 306.790 1.852 50 0 DDAARO Cc1cccc(C)c1C[NH2+]CCNS(=O)(=O)c1ccn(C)c1 ZINC000091064348 407175327 /nfs/dbraw/zinc/17/53/27/407175327.db2.gz GRNQECHESKATHH-UHFFFAOYSA-N 1 0 321.446 1.710 50 0 DDAARO CC[NH+](CC)[C@H](CNC(=O)CN1CCO[C@H](C)C1)c1ccco1 ZINC000054172751 407179015 /nfs/dbraw/zinc/17/90/15/407179015.db2.gz FLMUOLAOCCLDMA-HUUCEWRRSA-N 1 0 323.437 1.499 50 0 DDAARO Cc1n[nH]c(C)c1[C@H](N)C(=O)N(C)CCC[NH+]1CCCCCC1 ZINC000092045991 407185824 /nfs/dbraw/zinc/18/58/24/407185824.db2.gz XWBUJXDOANKRKT-INIZCTEOSA-N 1 0 321.469 1.751 50 0 DDAARO CC[N@H+](CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CC1 ZINC000096402824 407259997 /nfs/dbraw/zinc/25/99/97/407259997.db2.gz JFZFBYCUFLYENM-AWEZNQCLSA-N 1 0 307.438 1.236 50 0 DDAARO CCCN(Cc1ccccc1OC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055271340 407198845 /nfs/dbraw/zinc/19/88/45/407198845.db2.gz MQVRCXDQMREPJR-HNNXBMFYSA-N 1 0 306.406 1.812 50 0 DDAARO CC(C)[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1[NH+](C)C ZINC000095367793 407209854 /nfs/dbraw/zinc/20/98/54/407209854.db2.gz YPNSORFOEDCGOC-CMPLNLGQSA-N 1 0 300.353 1.936 50 0 DDAARO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095953674 407217133 /nfs/dbraw/zinc/21/71/33/407217133.db2.gz BKODGQCEAAGHSZ-AWEZNQCLSA-N 1 0 301.456 1.181 50 0 DDAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000095972683 407219288 /nfs/dbraw/zinc/21/92/88/407219288.db2.gz MKYOAPVSWLFKHR-ILXRZTDVSA-N 1 0 309.410 1.146 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000058380752 407221035 /nfs/dbraw/zinc/22/10/35/407221035.db2.gz JQQOUSJPCHZCFQ-HNNXBMFYSA-N 1 0 319.380 1.380 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000095996364 407221762 /nfs/dbraw/zinc/22/17/62/407221762.db2.gz BAWJOEFYDVYTPO-JTQLQIEISA-N 1 0 301.312 1.701 50 0 DDAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C[N@@H+](C)C2CCCC2)on1 ZINC000096132252 407239439 /nfs/dbraw/zinc/23/94/39/407239439.db2.gz ZQUBRGYYDFICEU-CJNGLKHVSA-N 1 0 321.421 1.531 50 0 DDAARO CN(C)c1cccc(NC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000096141756 407240655 /nfs/dbraw/zinc/24/06/55/407240655.db2.gz SKYUYUXKMCBQDG-AWEZNQCLSA-N 1 0 320.437 1.578 50 0 DDAARO Nc1nc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc(=O)[nH]1 ZINC000065374858 407243692 /nfs/dbraw/zinc/24/36/92/407243692.db2.gz CGQXSNPNOJNFKW-UHFFFAOYSA-N 1 0 311.389 1.054 50 0 DDAARO O=C(C[NH2+][C@@H]1CCCOc2ccc(F)cc21)N1CCOCC1 ZINC000097035144 407276353 /nfs/dbraw/zinc/27/63/53/407276353.db2.gz XVEUAXVQNOBUEY-CQSZACIVSA-N 1 0 308.353 1.488 50 0 DDAARO CN1CCN(C(=O)c2cccc(N)c2)CC12CC[NH+](C)CC2 ZINC000067587473 407276461 /nfs/dbraw/zinc/27/64/61/407276461.db2.gz YICPHOJVZAOVNE-UHFFFAOYSA-N 1 0 302.422 1.121 50 0 DDAARO C[C@]1(C2CC[NH2+]CC2)NC(=O)N(CCCc2ccccc2)C1=O ZINC000067725612 407281515 /nfs/dbraw/zinc/28/15/15/407281515.db2.gz MDGNFPKYZYBGHE-GOSISDBHSA-N 1 0 315.417 1.929 50 0 DDAARO 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XTUSUXGTNXYJOM-UHFFFAOYSA-N 1 0 310.361 1.481 50 0 DDAARO CC(C)(C)c1ccc(=O)n(CC2C[NH+]([C@H]3CCCC[C@@H]3O)C2)n1 ZINC000585603674 773683883 /nfs/dbraw/zinc/68/38/83/773683883.db2.gz FSNULKXHHFJVHJ-GJZGRUSLSA-N 1 0 319.449 1.776 50 0 DDAARO COCC[N@H+](C)C[C@H]1CCCN1c1nnc(-c2ccon2)s1 ZINC000952845434 775569207 /nfs/dbraw/zinc/56/92/07/775569207.db2.gz RRSUSTGSHSVEDF-LLVKDONJSA-N 1 0 323.422 1.740 50 0 DDAARO [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000952878163 775628002 /nfs/dbraw/zinc/62/80/02/775628002.db2.gz ZIRIFMOUPPQQFC-IKGGRYGDSA-N 1 0 304.434 1.327 50 0 DDAARO [NH3+]C[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000952878165 775628164 /nfs/dbraw/zinc/62/81/64/775628164.db2.gz ZIRIFMOUPPQQFC-ZACQAIPSSA-N 1 0 304.434 1.327 50 0 DDAARO Cn1cc(/C=C\C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cn1 ZINC000952881806 775636814 /nfs/dbraw/zinc/63/68/14/775636814.db2.gz DBBGXBXXDBWFMG-ZPUOCTKUSA-N 1 0 310.401 1.476 50 0 DDAARO 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COc1ccccc1CCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072154850 191060100 /nfs/dbraw/zinc/06/01/00/191060100.db2.gz CMHVQFHPNDJPLL-QGZVFWFLSA-N 1 0 306.406 1.153 50 0 DDAARO Cc1ccc([C@H]2CN(C(=O)CCO)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072140401 191048507 /nfs/dbraw/zinc/04/85/07/191048507.db2.gz VGSSIJLFVIFKDY-BHIYHBOVSA-N 1 0 314.429 1.766 50 0 DDAARO Cc1nc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2nc1C ZINC000072163795 191063898 /nfs/dbraw/zinc/06/38/98/191063898.db2.gz DJZCYLATGGVIFE-ZDUSSCGKSA-N 1 0 300.362 1.564 50 0 DDAARO CCc1[nH]nc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1C ZINC000072164696 191065503 /nfs/dbraw/zinc/06/55/03/191065503.db2.gz DDWROARUDJGXAO-AWEZNQCLSA-N 1 0 320.437 1.342 50 0 DDAARO Cc1noc2ncnc(N3CCC[C@](O)(C[NH+](C)C)CC3)c12 ZINC000072172773 191069446 /nfs/dbraw/zinc/06/94/46/191069446.db2.gz LQDYUKGGEVUOGV-OAHLLOKOSA-N 1 0 305.382 1.209 50 0 DDAARO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH3+] ZINC000253369710 186300844 /nfs/dbraw/zinc/30/08/44/186300844.db2.gz 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DDAARO Cc1nc2c(cnn2C)c(N(C)CC[NH+]2CCCCCC2)n1 ZINC000072149517 256543485 /nfs/dbraw/zinc/54/34/85/256543485.db2.gz NFDSNCLLHVAMIZ-UHFFFAOYSA-N 1 0 302.426 1.984 50 0 DDAARO Cc1nc(CN2CCN(C(=O)CC[NH2+]C3CC3)CC2)oc1C ZINC000568234211 304278692 /nfs/dbraw/zinc/27/86/92/304278692.db2.gz IGIHQNLYIQUZDH-UHFFFAOYSA-N 1 0 306.410 1.078 50 0 DDAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CSC(=O)N1 ZINC000245909693 257237809 /nfs/dbraw/zinc/23/78/09/257237809.db2.gz PBUXFIXOQBJKRD-WCQYABFASA-N 1 0 307.419 1.448 50 0 DDAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000237624095 257238569 /nfs/dbraw/zinc/23/85/69/257238569.db2.gz GNSVODLXRBPVMH-WCQYABFASA-N 1 0 302.353 1.963 50 0 DDAARO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000365858187 257241997 /nfs/dbraw/zinc/24/19/97/257241997.db2.gz UQSQONFPZPXJQS-CYBMUJFWSA-N 1 0 303.362 1.025 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1c(F)cccc1Br ZINC000124040324 195598278 /nfs/dbraw/zinc/59/82/78/195598278.db2.gz 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/nfs/dbraw/zinc/74/93/45/406749345.db2.gz KFHDYWIXQGXDGE-IAGOWNOFSA-N 1 0 306.454 1.440 50 0 DDAARO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccncc1 ZINC000007094877 406751071 /nfs/dbraw/zinc/75/10/71/406751071.db2.gz HVGIEFDROJJFHZ-UHFFFAOYSA-N 1 0 305.403 1.291 50 0 DDAARO COC(=O)CNC(=O)CC[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000069776861 406772201 /nfs/dbraw/zinc/77/22/01/406772201.db2.gz KLUVFXBXTIGELY-UHFFFAOYSA-N 1 0 304.390 1.639 50 0 DDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N(C1=CCCCC1)C1CC1 ZINC000069707491 406759209 /nfs/dbraw/zinc/75/92/09/406759209.db2.gz NMIHQCDIBLDMKL-CYBMUJFWSA-N 1 0 315.421 1.631 50 0 DDAARO C[C@H](C(=O)N(C)C1CCCCC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069808332 406773107 /nfs/dbraw/zinc/77/31/07/406773107.db2.gz RFGWEWVNQIYBPL-GDBMZVCRSA-N 1 0 311.470 1.428 50 0 DDAARO COc1ccc(CNC(=O)C[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000069390219 406706185 /nfs/dbraw/zinc/70/61/85/406706185.db2.gz KRCYGOQTCZCMHK-CYBMUJFWSA-N 1 0 302.378 1.186 50 0 DDAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCNC(C)=O ZINC000069385374 406706521 /nfs/dbraw/zinc/70/65/21/406706521.db2.gz JVKIQUQBESFEGC-UHFFFAOYSA-N 1 0 319.449 1.883 50 0 DDAARO Cc1cccc(C(=O)NCC[NH2+]C[C@@H]2CNc3ccnn3C2)c1 ZINC000069454127 406714381 /nfs/dbraw/zinc/71/43/81/406714381.db2.gz IFDBZYBWVVRDOH-CQSZACIVSA-N 1 0 313.405 1.253 50 0 DDAARO CCCN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000004335172 406722203 /nfs/dbraw/zinc/72/22/03/406722203.db2.gz QBLCNFCVBZKGRG-OAHLLOKOSA-N 1 0 319.380 1.485 50 0 DDAARO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCCC3)C2)cc1 ZINC000004813910 406730027 /nfs/dbraw/zinc/73/00/27/406730027.db2.gz GACGNSJUPVJHFD-UHFFFAOYSA-N 1 0 315.417 1.723 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cccs2)CC1 ZINC000069875461 406787159 /nfs/dbraw/zinc/78/71/59/406787159.db2.gz YCFBNEPNLDYCKH-OAHLLOKOSA-N 1 0 321.490 1.919 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccccc1-n1cncn1)CC2 ZINC000069929927 406793604 /nfs/dbraw/zinc/79/36/04/406793604.db2.gz LRVAVFGIMGFXKJ-AWEZNQCLSA-N 1 0 309.377 1.272 50 0 DDAARO Cc1cnn(CC[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000070020621 406805017 /nfs/dbraw/zinc/80/50/17/406805017.db2.gz VXTLBKJZEKPBBU-UHFFFAOYSA-N 1 0 307.419 1.645 50 0 DDAARO CC(C)[N@H+](Cc1ccccc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000011036805 406825151 /nfs/dbraw/zinc/82/51/51/406825151.db2.gz GVGALUFCIZCLNA-UHFFFAOYSA-N 1 0 301.390 1.495 50 0 DDAARO CC1CC[NH+](C[C@H](O)Cn2c3ccccc3nc2CO)CC1 ZINC000071824985 406847443 /nfs/dbraw/zinc/84/74/43/406847443.db2.gz NBIDFACTBSXNFW-AWEZNQCLSA-N 1 0 303.406 1.621 50 0 DDAARO CSCCC(=O)NCc1cccnc1N1CCC[N@H+](C)CC1 ZINC000012597467 406848350 /nfs/dbraw/zinc/84/83/50/406848350.db2.gz URQVDLRMAUOBTB-UHFFFAOYSA-N 1 0 322.478 1.593 50 0 DDAARO COCCN(CC[NH+](C)C)C(=O)c1nccc2ccccc21 ZINC000071847801 406853117 /nfs/dbraw/zinc/85/31/17/406853117.db2.gz IPVDDHDWGGFNCG-UHFFFAOYSA-N 1 0 301.390 1.885 50 0 DDAARO CCN(C(=O)C[NH2+][C@H]1CCCN(c2ccc(C)nn2)C1)C1CC1 ZINC000071859783 406854075 /nfs/dbraw/zinc/85/40/75/406854075.db2.gz LYXFOSFGWAPZRL-AWEZNQCLSA-N 1 0 317.437 1.354 50 0 DDAARO Cc1ccc(N2CCC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)nn1 ZINC000071859785 406854255 /nfs/dbraw/zinc/85/42/55/406854255.db2.gz PCESHCFIPQDEFF-OAHLLOKOSA-N 1 0 317.437 1.212 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC3(O)CCCCC3)C2)no1 ZINC000072253923 406876168 /nfs/dbraw/zinc/87/61/68/406876168.db2.gz PLZJOMURBATUQG-CQSZACIVSA-N 1 0 308.426 1.627 50 0 DDAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3nncn3C2)o1 ZINC000072267342 406876266 /nfs/dbraw/zinc/87/62/66/406876266.db2.gz ZUNFOQICEGZLSY-GFCCVEGCSA-N 1 0 312.377 1.922 50 0 DDAARO O=C(CCCc1ccccn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269914 406877294 /nfs/dbraw/zinc/87/72/94/406877294.db2.gz YRLMYZCLKYHLIV-IRXDYDNUSA-N 1 0 317.433 1.462 50 0 DDAARO CCn1nc2c(cc1=O)C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000072302219 406880102 /nfs/dbraw/zinc/88/01/02/406880102.db2.gz QNDNNZIZWPZFLA-UHFFFAOYSA-N 1 0 317.364 1.839 50 0 DDAARO Cc1nn2c(nc(C)cc2N2CC[C@H](N3CCOCC3)C2)c1C ZINC000072424220 406881482 /nfs/dbraw/zinc/88/14/82/406881482.db2.gz MHJNFKIKTUBIBH-HNNXBMFYSA-N 1 0 315.421 1.565 50 0 DDAARO Cn1cc(CCC[N@H+](C)[C@H]2CN(Cc3ccoc3)C[C@@H]2O)cn1 ZINC000072425142 406881547 /nfs/dbraw/zinc/88/15/47/406881547.db2.gz FSOGJHISLMOIED-IRXDYDNUSA-N 1 0 318.421 1.123 50 0 DDAARO CNC(=O)c1ccc(C[N@H+](CCC(=O)N(C)C)C2CC2)cc1 ZINC000025947779 406902700 /nfs/dbraw/zinc/90/27/00/406902700.db2.gz DOFSGCLYGZFELP-UHFFFAOYSA-N 1 0 303.406 1.489 50 0 DDAARO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000075415255 406931704 /nfs/dbraw/zinc/93/17/04/406931704.db2.gz ONZLEGXJQCZRGN-KRWDZBQOSA-N 1 0 318.417 1.803 50 0 DDAARO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)o1 ZINC000030656984 406933618 /nfs/dbraw/zinc/93/36/18/406933618.db2.gz KZSUYVXWPULWCT-SMDDNHRTSA-N 1 0 312.435 1.917 50 0 DDAARO NC(=O)CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032770451 406952305 /nfs/dbraw/zinc/95/23/05/406952305.db2.gz PMLPKOMEBUJQHI-UHFFFAOYSA-N 1 0 315.339 1.698 50 0 DDAARO CCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000033032626 406958853 /nfs/dbraw/zinc/95/88/53/406958853.db2.gz BWKKNBOKXSXVPH-UHFFFAOYSA-N 1 0 323.824 1.624 50 0 DDAARO CCc1cc(N2CCOC[C@H](CO)C2)nc(N2CCCCC2)[nH+]1 ZINC000077323479 406983913 /nfs/dbraw/zinc/98/39/13/406983913.db2.gz LHBUWXQOUGEDDD-AWEZNQCLSA-N 1 0 320.437 1.474 50 0 DDAARO CN(Cc1ccc(Cl)cc1)c1nc2c(c(=O)[nH]1)CC[NH2+]C2 ZINC000077378520 406988216 /nfs/dbraw/zinc/98/82/16/406988216.db2.gz SGWYJSQJEZKBLQ-UHFFFAOYSA-N 1 0 304.781 1.705 50 0 DDAARO Cc1ncsc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077554840 406996956 /nfs/dbraw/zinc/99/69/56/406996956.db2.gz ALRRREGLVCOPAZ-INIZCTEOSA-N 1 0 323.462 1.648 50 0 DDAARO C[NH+]1CCN(c2cc(CNC(=O)c3ccccn3)ccn2)CC1 ZINC000048303310 407094808 /nfs/dbraw/zinc/09/48/08/407094808.db2.gz ALWHZIZPBINPBH-UHFFFAOYSA-N 1 0 311.389 1.158 50 0 DDAARO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3cncn3)C2)c1 ZINC000089423929 407134776 /nfs/dbraw/zinc/13/47/76/407134776.db2.gz UQFKIALBUYUWLW-CYBMUJFWSA-N 1 0 302.378 1.785 50 0 DDAARO NC(=O)COc1ccc(CNC(=O)C[NH+]2CCCCCC2)cc1 ZINC000051093079 407136213 /nfs/dbraw/zinc/13/62/13/407136213.db2.gz QHMRPLOWCZZOJZ-UHFFFAOYSA-N 1 0 319.405 1.043 50 0 DDAARO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)Cn1cccn1 ZINC000051591199 407141480 /nfs/dbraw/zinc/14/14/80/407141480.db2.gz GTPHLVRDLNGSHB-CQSZACIVSA-N 1 0 309.797 1.908 50 0 DDAARO O=c1oc2ccccc2n1CCN1CC[NH+](CC2CC2)CC1 ZINC000052165661 407148515 /nfs/dbraw/zinc/14/85/15/407148515.db2.gz JFEFQKYWERPGCV-UHFFFAOYSA-N 1 0 301.390 1.622 50 0 DDAARO CC(C)[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@H]1CCO ZINC000052567859 407154020 /nfs/dbraw/zinc/15/40/20/407154020.db2.gz BVPZFQCRTJRDFR-CQSZACIVSA-N 1 0 302.422 1.840 50 0 DDAARO Cn1ncc2c1nc(C[N@H+](C[C@@H]1CCOC1)C1CC1)[nH]c2=O ZINC000052827985 407157413 /nfs/dbraw/zinc/15/74/13/407157413.db2.gz XPONHXKZLNSRKR-JTQLQIEISA-N 1 0 303.366 1.070 50 0 DDAARO COc1ccccc1CNC(=O)C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000089927539 407158938 /nfs/dbraw/zinc/15/89/38/407158938.db2.gz BAGAJUOQRPLCGR-ZFWWWQNUSA-N 1 0 306.406 1.547 50 0 DDAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000053273016 407166860 /nfs/dbraw/zinc/16/68/60/407166860.db2.gz IRUYGZNSOKAYJS-UHFFFAOYSA-N 1 0 305.378 1.335 50 0 DDAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccccc1-n1cncn1 ZINC000091270270 407181223 /nfs/dbraw/zinc/18/12/23/407181223.db2.gz IYRKBENYBADJSR-MRXNPFEDSA-N 1 0 313.405 1.758 50 0 DDAARO COCCN1CC[NH+](CCC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000054429450 407184926 /nfs/dbraw/zinc/18/49/26/407184926.db2.gz AMBIAAWLIQTOMW-MRXNPFEDSA-N 1 0 319.449 1.518 50 0 DDAARO CCC[C@H]1CN(C(=O)Cn2nc(C)c(C)c2C)C[C@@H]1[NH+](C)C ZINC000092028618 407185389 /nfs/dbraw/zinc/18/53/89/407185389.db2.gz VXDOSOIFNSQPOX-HOTGVXAUSA-N 1 0 306.454 1.997 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN([C@H](C(N)=O)c3ccccc3)CC2)CCO1 ZINC000066562123 407253768 /nfs/dbraw/zinc/25/37/68/407253768.db2.gz MVERJEFYGOHYMJ-PBHICJAKSA-N 1 0 317.433 1.398 50 0 DDAARO Cc1cc(C)c2c(ncnc2N[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000095361025 407209250 /nfs/dbraw/zinc/20/92/50/407209250.db2.gz FLKYADVEEROYII-ZDUSSCGKSA-N 1 0 313.405 1.965 50 0 DDAARO C[C@H]([NH2+]CCCn1cccn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000095419816 407212942 /nfs/dbraw/zinc/21/29/42/407212942.db2.gz MSFSWPBPPCZYAD-ZDUSSCGKSA-N 1 0 322.434 1.996 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2(CCO)CCC2)C1 ZINC000095431077 407213356 /nfs/dbraw/zinc/21/33/56/407213356.db2.gz JYEQVKJKSBZEPJ-HNNXBMFYSA-N 1 0 311.470 1.959 50 0 DDAARO Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1=O ZINC000095954482 407216872 /nfs/dbraw/zinc/21/68/72/407216872.db2.gz YDIVMAWAJNJGFB-INIZCTEOSA-N 1 0 313.401 1.288 50 0 DDAARO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 ZINC000096008610 407223635 /nfs/dbraw/zinc/22/36/35/407223635.db2.gz IVVXVLKOYNIAGG-HIFRSBDPSA-N 1 0 312.435 1.944 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cc(C(C)C)nc(N(C)C)n1 ZINC000096101174 407236742 /nfs/dbraw/zinc/23/67/42/407236742.db2.gz IJIWVHDFCOILRV-UHFFFAOYSA-N 1 0 307.442 1.738 50 0 DDAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000096477994 407271037 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Cc1ccnc(NC[C@H]2CC[N@H+](CCN3CCCC3=O)C2)c1 ZINC000097200798 407286193 /nfs/dbraw/zinc/28/61/93/407286193.db2.gz LSGHRTYASDSIOJ-OAHLLOKOSA-N 1 0 302.422 1.746 50 0 DDAARO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000097229360 407288729 /nfs/dbraw/zinc/28/87/29/407288729.db2.gz MYIVERUXFRKFAJ-GFCCVEGCSA-N 1 0 316.810 1.558 50 0 DDAARO [NH3+]C1(C(=O)NCC[C@@H]2CN(Cc3ccco3)CCO2)CCCC1 ZINC000067894269 407288862 /nfs/dbraw/zinc/28/88/62/407288862.db2.gz AXRGDNUSUNRBFI-OAHLLOKOSA-N 1 0 321.421 1.258 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000067956258 407291705 /nfs/dbraw/zinc/29/17/05/407291705.db2.gz YKULQFIVOJBWML-YPMHNXCESA-N 1 0 307.442 1.133 50 0 DDAARO CCc1cc(N(C)CCc2cn[nH]c2)nc(N2CCOCC2)[nH+]1 ZINC000067983229 407292952 /nfs/dbraw/zinc/29/29/52/407292952.db2.gz RFMDTDWNIPJPLT-UHFFFAOYSA-N 1 0 316.409 1.278 50 0 DDAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000067975253 407293464 /nfs/dbraw/zinc/29/34/64/407293464.db2.gz 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323.412 1.395 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCN(C(C)=O)CC1 ZINC000229555789 407665640 /nfs/dbraw/zinc/66/56/40/407665640.db2.gz MAFRHPITVBAYMC-QZTJIDSGSA-N 1 0 321.465 1.720 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000237448580 407819065 /nfs/dbraw/zinc/81/90/65/407819065.db2.gz JWDXOSUECCUNJF-GWCFXTLKSA-N 1 0 303.362 1.359 50 0 DDAARO COc1ccccc1CNC(=O)CC[N@H+](C)C1CCOCC1 ZINC000244899808 407945373 /nfs/dbraw/zinc/94/53/73/407945373.db2.gz ZQLYSXKYWACBLO-UHFFFAOYSA-N 1 0 306.406 1.812 50 0 DDAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc([S@@](C)=O)c3)[C@H]2C1 ZINC000272519174 407957957 /nfs/dbraw/zinc/95/79/57/407957957.db2.gz YBYZBWMEQMTASA-XTCJLCLGSA-N 1 0 321.446 1.982 50 0 DDAARO O=C(c1ccccc1)N1CC[C@@H]([NH2+]C2CCOCC2)[C@H](O)C1 ZINC000243932682 407924892 /nfs/dbraw/zinc/92/48/92/407924892.db2.gz BXUGQEUUOFYDLW-HZPDHXFCSA-N 1 0 304.390 1.031 50 0 DDAARO CCc1nnc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)[nH]1 ZINC000244748726 407934768 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C[NH2+][C@H]1CCCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1 ZINC000151027420 408242948 /nfs/dbraw/zinc/24/29/48/408242948.db2.gz PYDOJOSCACEKRU-LBPRGKRZSA-N 1 0 316.409 1.251 50 0 DDAARO COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000269259353 408235092 /nfs/dbraw/zinc/23/50/92/408235092.db2.gz VATUMIJVAUUKHW-QLFBSQMISA-N 1 0 317.433 1.765 50 0 DDAARO Cc1nn(C)c(C)c1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000190978827 408351240 /nfs/dbraw/zinc/35/12/40/408351240.db2.gz IHYGUYJFZMRHEH-UHFFFAOYSA-N 1 0 318.425 1.866 50 0 DDAARO C[NH+](C)Cc1cc(CNC(=O)NC2CCOCC2)ccc1F ZINC000172076733 162257048 /nfs/dbraw/zinc/25/70/48/162257048.db2.gz HRWMSSQOYFGWPJ-UHFFFAOYSA-N 1 0 309.385 1.866 50 0 DDAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000248105868 408534499 /nfs/dbraw/zinc/53/44/99/408534499.db2.gz FUUKTQMZVRWHLJ-CAOSSQGBSA-N 1 0 310.438 1.656 50 0 DDAARO CC(C)c1noc([C@H](C)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000248159165 408539907 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C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3O)C2)CC1 ZINC000299792317 410631328 /nfs/dbraw/zinc/63/13/28/410631328.db2.gz FIXQNDWCHWXXDT-CYBMUJFWSA-N 1 0 323.824 1.508 50 0 DDAARO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299792434 410631558 /nfs/dbraw/zinc/63/15/58/410631558.db2.gz FYKOIGIXRRHCIV-ZFWWWQNUSA-N 1 0 301.350 1.033 50 0 DDAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cccn4cnnc34)C2)C1 ZINC000299797432 410634048 /nfs/dbraw/zinc/63/40/48/410634048.db2.gz RJZHSAZQQTURRE-KRWDZBQOSA-N 1 0 313.405 1.677 50 0 DDAARO Cc1c[nH]c([C@H](C)NC(=O)c2ccc(OCCC[NH3+])cc2)n1 ZINC000299797360 410635613 /nfs/dbraw/zinc/63/56/13/410635613.db2.gz NSOFSPBVZRACRG-LBPRGKRZSA-N 1 0 302.378 1.937 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000131768736 196197269 /nfs/dbraw/zinc/19/72/69/196197269.db2.gz AFZUVRGIIYETDL-HNNXBMFYSA-N 1 0 301.390 1.420 50 0 DDAARO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000044895104 418431272 /nfs/dbraw/zinc/43/12/72/418431272.db2.gz 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Cc1cc2n(n1)CCN(C(=O)Cc1cccc(OCC[NH3+])c1)C2 ZINC000426720026 419538223 /nfs/dbraw/zinc/53/82/23/419538223.db2.gz TZQUMCNXVHSHRD-UHFFFAOYSA-N 1 0 314.389 1.114 50 0 DDAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@@H+](CCO)C2 ZINC000426573099 419509564 /nfs/dbraw/zinc/50/95/64/419509564.db2.gz LNIIOWAGDNMWEW-KRWDZBQOSA-N 1 0 306.381 1.633 50 0 DDAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000299739681 229371353 /nfs/dbraw/zinc/37/13/53/229371353.db2.gz RHSAUEQRFRWHIQ-MISXGVKJSA-N 1 0 309.360 1.787 50 0 DDAARO [NH3+]CC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000440348057 420569910 /nfs/dbraw/zinc/56/99/10/420569910.db2.gz WSRMGDPIRWAREZ-UHFFFAOYSA-N 1 0 302.827 1.841 50 0 DDAARO C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Oc1cccc(F)c1 ZINC000585132192 422309090 /nfs/dbraw/zinc/30/90/90/422309090.db2.gz QGOFABHFQCICJV-XPKDYRNWSA-N 1 0 322.380 1.572 50 0 DDAARO CN(CC[N@H+](C)C1CC1)C(=O)/C=C\CNC(=O)OC(C)(C)C ZINC000606444394 422459555 /nfs/dbraw/zinc/45/95/55/422459555.db2.gz 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278302199 /nfs/dbraw/zinc/30/21/99/278302199.db2.gz IQDBCLMYXQCVKE-PCKAHOCUSA-N 1 0 317.470 1.255 50 0 DDAARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc2cccnc21 ZINC000095432082 279141919 /nfs/dbraw/zinc/14/19/19/279141919.db2.gz GQLRKMOVYQRETP-CYBMUJFWSA-N 1 0 307.419 1.887 50 0 DDAARO Cn1nc(CO)c2c1CCN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072164654 279398120 /nfs/dbraw/zinc/39/81/20/279398120.db2.gz YGRKFGNZERVDJY-WMLDXEAASA-N 1 0 318.465 1.535 50 0 DDAARO O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCCCC1 ZINC000000351433 280441664 /nfs/dbraw/zinc/44/16/64/280441664.db2.gz VTZUPRNGLZGTHN-LSDHHAIUSA-N 1 0 307.390 1.690 50 0 DDAARO Cc1ccc2ncccc2c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000216426191 281171663 /nfs/dbraw/zinc/17/16/63/281171663.db2.gz ZLMNXOBVBAWXCE-GASCZTMLSA-N 1 0 309.369 1.590 50 0 DDAARO Cc1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000193285828 281222644 /nfs/dbraw/zinc/22/26/44/281222644.db2.gz JOOYNIQOCQRURG-VXGBXAGGSA-N 1 0 300.399 1.882 50 0 DDAARO C[C@@H]1CN([C@@H](C[NH2+][C@@H]2CCN(C)C2=O)c2cccs2)CCO1 ZINC000072286549 297069573 /nfs/dbraw/zinc/06/95/73/297069573.db2.gz XATYVKAARWBWNL-MCIONIFRSA-N 1 0 323.462 1.330 50 0 DDAARO [NH3+]CCCCCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002092568 303374494 /nfs/dbraw/zinc/37/44/94/303374494.db2.gz MYBDPOHDPYQGSI-KGLIPLIRSA-N 1 0 303.406 1.313 50 0 biogenic DDAARO Cc1ccccc1[C@H](CNC(=O)c1cncc(=O)[nH]1)[NH+](C)C ZINC000534659673 334315527 /nfs/dbraw/zinc/31/55/27/334315527.db2.gz FWRNUZHGORRFLI-AWEZNQCLSA-N 1 0 300.362 1.111 50 0 DDAARO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)NC1CCOCC1 ZINC000076758591 483959797 /nfs/dbraw/zinc/95/97/97/483959797.db2.gz YGYIZMCXSMGVBF-MRXNPFEDSA-N 1 0 303.406 1.468 50 0 DDAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(CO)o2)cn1 ZINC000083843509 483985346 /nfs/dbraw/zinc/98/53/46/483985346.db2.gz PNDBYVPUOTWEPO-BLLLJJGKSA-N 1 0 305.378 1.856 50 0 DDAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cncc(=O)[nH]1 ZINC000670433740 484826141 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Cc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)[nH]n1 ZINC000019812661 696069585 /nfs/dbraw/zinc/06/95/85/696069585.db2.gz HAPAKZTZGJUDLV-SFHVURJKSA-N 1 0 314.433 1.787 50 0 DDAARO Cc1oncc1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000067855672 696364959 /nfs/dbraw/zinc/36/49/59/696364959.db2.gz LRCSDHDPMLMZLX-CQSZACIVSA-N 1 0 315.373 1.941 50 0 DDAARO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCOC2)c(C)c1 ZINC000072162422 696393675 /nfs/dbraw/zinc/39/36/75/696393675.db2.gz SQWNEJXPOVFBOT-CQSZACIVSA-N 1 0 312.435 1.126 50 0 DDAARO [NH3+]CCN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072478353 696393965 /nfs/dbraw/zinc/39/39/65/696393965.db2.gz JTAMUYPLLXYYJQ-DZGCQCFKSA-N 1 0 307.463 1.562 50 0 DDAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)c1nc(C(N)=O)cs1 ZINC000077504508 696440400 /nfs/dbraw/zinc/44/04/00/696440400.db2.gz IMAFNSGJCURDDT-ZDUSSCGKSA-N 1 0 316.430 1.735 50 0 DDAARO Cc1ncnc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000077554375 696440850 /nfs/dbraw/zinc/44/08/50/696440850.db2.gz GSEBBAPUXPJCSH-MRXNPFEDSA-N 1 0 317.481 1.946 50 0 DDAARO COCCn1nc2n(c1=O)CC[N@@H+](Cc1ccccc1C)CC2 ZINC000169783010 697345518 /nfs/dbraw/zinc/34/55/18/697345518.db2.gz LNBWLOZJTJDHAG-UHFFFAOYSA-N 1 0 316.405 1.058 50 0 DDAARO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1CCC(Nc2cccnn2)CC1 ZINC000888101567 709214052 /nfs/dbraw/zinc/21/40/52/709214052.db2.gz JBVJAEILCVQYHQ-JSGCOSHPSA-N 1 0 321.400 1.217 50 0 DDAARO CC[N@H+](C)[C@H](C)C(=O)N1CCC(CNC(=O)C2(C)CC2)CC1 ZINC000952971977 721529856 /nfs/dbraw/zinc/52/98/56/721529856.db2.gz PKPOXHBAXCCZIH-CYBMUJFWSA-N 1 0 309.454 1.482 50 0 DDAARO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)CC(N)=O)cn1 ZINC000952988891 721533225 /nfs/dbraw/zinc/53/32/25/721533225.db2.gz ACQUDOZWLUUDQZ-GFCCVEGCSA-N 1 0 314.389 1.848 50 0 DDAARO COc1cccc(/C(C)=C\C(=O)N2CCC(O)(CC[NH3+])CC2)c1 ZINC000952992735 721534062 /nfs/dbraw/zinc/53/40/62/721534062.db2.gz CCSYFJLZUJGNIQ-OWBHPGMISA-N 1 0 318.417 1.801 50 0 DDAARO CC[NH+]1CCN(CC(=O)N[C@@H](C)Cc2cccc(C)n2)CC1 ZINC000823112971 758269174 /nfs/dbraw/zinc/26/91/74/758269174.db2.gz WHZAXIFEFOTPFR-HNNXBMFYSA-N 1 0 304.438 1.075 50 0 DDAARO CCOCC[NH+]1CCC(CNC(=O)c2cnccc2C)CC1 ZINC000823331709 758294240 /nfs/dbraw/zinc/29/42/40/758294240.db2.gz OCMBUVYHYSTYNW-UHFFFAOYSA-N 1 0 305.422 1.868 50 0 DDAARO C[N@@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)C1CC1)CC2 ZINC000581802385 761708511 /nfs/dbraw/zinc/70/85/11/761708511.db2.gz HGERHQRFCHKXLH-INIZCTEOSA-N 1 0 321.465 1.042 50 0 DDAARO CCn1nccc1C(=O)N1CC([N@H+](CC)C2CCOCC2)C1 ZINC000581794712 761712433 /nfs/dbraw/zinc/71/24/33/761712433.db2.gz PMEUTIXHKRGJPQ-UHFFFAOYSA-N 1 0 306.410 1.228 50 0 DDAARO CC(C)(C)c1ccc(=O)n(CC2C[NH+]([C@H]3CCC[C@@H]3O)C2)n1 ZINC000585603744 773684957 /nfs/dbraw/zinc/68/49/57/773684957.db2.gz IEEVSQQWYLKAHE-KBPBESRZSA-N 1 0 305.422 1.386 50 0 DDAARO O=c1ccncn1CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000585636693 773686150 /nfs/dbraw/zinc/68/61/50/773686150.db2.gz LYQGIBGXAWTQDT-UHFFFAOYSA-N 1 0 305.422 1.651 50 0 DDAARO CN1C(=O)CCC12CCN(C(=O)[C@H]1CCCCC[N@@H+]1C)CC2 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CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000012768696 406850782 /nfs/dbraw/zinc/85/07/82/406850782.db2.gz QCAAAXXBPLAMHQ-OAHLLOKOSA-N 1 0 303.406 1.929 50 0 DDAARO O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839953 406851419 /nfs/dbraw/zinc/85/14/19/406851419.db2.gz RWCMPGRDJJBCIM-AWEZNQCLSA-N 1 0 311.385 1.838 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3c(C)noc3C)C2)no1 ZINC000071870559 406857005 /nfs/dbraw/zinc/85/70/05/406857005.db2.gz MMJLJOBUXLOVTN-CYBMUJFWSA-N 1 0 305.382 1.737 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2CCn3c(nnc3C3CC3)C2)CC1 ZINC000071880774 406860616 /nfs/dbraw/zinc/86/06/16/406860616.db2.gz BLRCDINESXNSHW-OAHLLOKOSA-N 1 0 319.453 1.064 50 0 DDAARO CC[NH+](CC)CC(=O)NCCc1csc(N2CCCC2)n1 ZINC000071910835 406866824 /nfs/dbraw/zinc/86/68/24/406866824.db2.gz DOESMRWFUCMBFZ-UHFFFAOYSA-N 1 0 310.467 1.744 50 0 DDAARO CN(C(=O)NCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000071908629 406867005 /nfs/dbraw/zinc/86/70/05/406867005.db2.gz RKIFQKVLWDNNPL-GFCCVEGCSA-N 1 0 322.375 1.359 50 0 DDAARO CCCCOCCC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000013719613 406867618 /nfs/dbraw/zinc/86/76/18/406867618.db2.gz ZLLPLNCTKVYPBR-UHFFFAOYSA-N 1 0 324.421 1.856 50 0 DDAARO COc1ccc(/C=C/C(=O)N2CCOC23CC[NH+](C)CC3)cc1 ZINC000013729097 406867922 /nfs/dbraw/zinc/86/79/22/406867922.db2.gz AQOJYPPRKNFRRI-VMPITWQZSA-N 1 0 316.401 1.989 50 0 DDAARO CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072268327 406875963 /nfs/dbraw/zinc/87/59/63/406875963.db2.gz RGFGXBTWSWCZPT-OLZOCXBDSA-N 1 0 303.410 1.737 50 0 DDAARO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C2=O)N2CCOCC2)s1 ZINC000072286546 406878323 /nfs/dbraw/zinc/87/83/23/406878323.db2.gz TWXQPJNJNBANHX-KGLIPLIRSA-N 1 0 323.462 1.250 50 0 DDAARO O[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000072285231 406878607 /nfs/dbraw/zinc/87/86/07/406878607.db2.gz OVQXJQNHJVBPHO-CYBMUJFWSA-N 1 0 315.339 1.993 50 0 DDAARO Cc1ccc(F)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1 ZINC000072300535 406880617 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C[C@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(-c2ccncc2)o1 ZINC000095997761 407223195 /nfs/dbraw/zinc/22/31/95/407223195.db2.gz WJXDUFPSGBMGIL-LBPRGKRZSA-N 1 0 315.377 1.736 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000096134039 407239502 /nfs/dbraw/zinc/23/95/02/407239502.db2.gz ZKVRPWSUJARTQI-OAHLLOKOSA-N 1 0 300.443 1.618 50 0 DDAARO O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1cocn1)Cc1cocn1 ZINC000096142051 407240572 /nfs/dbraw/zinc/24/05/72/407240572.db2.gz BUZHHHOSYWXENA-CQSZACIVSA-N 1 0 316.361 1.581 50 0 DDAARO OC[C@@H]1CCCC[N@@H+]1CCNc1nccc(-c2ccccn2)n1 ZINC000096163423 407242142 /nfs/dbraw/zinc/24/21/42/407242142.db2.gz PALXVOUSZLPBHR-AWEZNQCLSA-N 1 0 313.405 1.797 50 0 DDAARO CCO[C@H]1C[C@H]([N@H+](C)CCCS(=O)(=O)NC)C12CCCC2 ZINC000096419676 407263457 /nfs/dbraw/zinc/26/34/57/407263457.db2.gz ABPOWBMQNCFIDI-KBPBESRZSA-N 1 0 318.483 1.595 50 0 DDAARO CCSCC[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096440127 407266326 /nfs/dbraw/zinc/26/63/26/407266326.db2.gz 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Cc1nc2cc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)ccc2[nH]1 ZINC000097446904 407293496 /nfs/dbraw/zinc/29/34/96/407293496.db2.gz IEIRBEKKVRQPLH-ZDUSSCGKSA-N 1 0 316.405 1.305 50 0 DDAARO CCSc1ncc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cn1 ZINC000097572256 407299716 /nfs/dbraw/zinc/29/97/16/407299716.db2.gz OXSRESVNJKSOPL-CYBMUJFWSA-N 1 0 309.435 1.704 50 0 DDAARO CCN(C(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C1=CCCCC1 ZINC000106906566 407365769 /nfs/dbraw/zinc/36/57/69/407365769.db2.gz VUBMNHQQGHOSFZ-CVEARBPZSA-N 1 0 323.481 1.680 50 0 DDAARO Cc1c(CCNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cnn1C ZINC000170677765 407471345 /nfs/dbraw/zinc/47/13/45/407471345.db2.gz VWNOGCDYXZBCLA-WBMJQRKESA-N 1 0 300.406 1.723 50 0 DDAARO CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000257176413 407480556 /nfs/dbraw/zinc/48/05/56/407480556.db2.gz SSDDPQIINWSTCB-GXTWGEPZSA-N 1 0 316.323 1.634 50 0 DDAARO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000257193586 407486471 /nfs/dbraw/zinc/48/64/71/407486471.db2.gz 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COc1ccc([C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2NC(C)=O)cc1 ZINC000091848345 193116881 /nfs/dbraw/zinc/11/68/81/193116881.db2.gz JKRWEVGJZZRGHA-ZWKOTPCHSA-N 1 0 318.417 1.778 50 0 DDAARO O=C(N[C@H]1CN(c2cc[nH+]cc2)C[C@@H]1C1CC1)C1CCOCC1 ZINC000091943773 193129576 /nfs/dbraw/zinc/12/95/76/193129576.db2.gz ZSULVIJIDHZRKL-SJORKVTESA-N 1 0 315.417 1.839 50 0 DDAARO Cc1ccc2[nH]c(C[NH+]3C[C@@H](CO)[C@H](CO)C3)cc(=O)c2c1 ZINC000091951515 193131172 /nfs/dbraw/zinc/13/11/72/193131172.db2.gz PPMPAKDVPRSOGX-STQMWFEESA-N 1 0 302.374 1.281 50 0 DDAARO CCN1CC2(CCC1=O)CC[NH+](CCc1cnn(C)c1)CC2 ZINC000091997694 193138533 /nfs/dbraw/zinc/13/85/33/193138533.db2.gz IYZOEVKANMZXFY-UHFFFAOYSA-N 1 0 304.438 1.687 50 0 DDAARO COc1ccc(-c2cc(C(=O)N3CC[C@@H](C[NH3+])C3)[nH]n2)cc1 ZINC000092062522 193150386 /nfs/dbraw/zinc/15/03/86/193150386.db2.gz KUDXORULHISPRH-NSHDSACASA-N 1 0 300.362 1.506 50 0 DDAARO Cn1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1=O ZINC000092077856 193153963 /nfs/dbraw/zinc/15/39/63/193153963.db2.gz ISMPHUVAFJIIAD-MRXNPFEDSA-N 1 0 317.433 1.866 50 0 DDAARO OC[C@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1C[NH+]1CCCC1 ZINC000092077162 193154210 /nfs/dbraw/zinc/15/42/10/193154210.db2.gz FGRAXZGWWYRPGT-HUUCEWRRSA-N 1 0 302.422 1.495 50 0 DDAARO CC(C)n1cnnc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000252550395 202867337 /nfs/dbraw/zinc/86/73/37/202867337.db2.gz SNJOQEBKEDQWLD-TXEJJXNPSA-N 1 0 301.398 1.490 50 0 DDAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000096486803 193667384 /nfs/dbraw/zinc/66/73/84/193667384.db2.gz PZRSCOLEMVLVFQ-IUODEOHRSA-N 1 0 308.426 1.391 50 0 DDAARO CC[NH+]1CCN(CCC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000019528175 182128309 /nfs/dbraw/zinc/12/83/09/182128309.db2.gz FSFVFOLYPWPOPW-UHFFFAOYSA-N 1 0 321.421 1.670 50 0 DDAARO CC[NH+]1CCN(CCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000019900042 182161464 /nfs/dbraw/zinc/16/14/64/182161464.db2.gz UBMNVUXPKLTOKF-UHFFFAOYSA-N 1 0 321.421 1.670 50 0 DDAARO CC[NH+](CC)CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000020330155 182208463 /nfs/dbraw/zinc/20/84/63/182208463.db2.gz LUYCCFIURNUVQK-UHFFFAOYSA-N 1 0 320.393 1.297 50 0 DDAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000020347354 182210217 /nfs/dbraw/zinc/21/02/17/182210217.db2.gz TXGGYDDOLGANNN-INIZCTEOSA-N 1 0 306.406 1.266 50 0 aggregator DDAARO Cc1ccn(CCC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000020989647 182257653 /nfs/dbraw/zinc/25/76/53/182257653.db2.gz WVYYGQACRXWQSE-UHFFFAOYSA-N 1 0 312.417 1.756 50 0 DDAARO COCCNC(=O)C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000022039565 182305962 /nfs/dbraw/zinc/30/59/62/182305962.db2.gz QYFQWTWJZQXHSY-AWEZNQCLSA-N 1 0 309.410 1.159 50 0 DDAARO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000038583502 183003671 /nfs/dbraw/zinc/00/36/71/183003671.db2.gz DJWWUSASWBIFNG-UHFFFAOYSA-N 1 0 308.447 1.980 50 0 DDAARO CC[N@H+](CCCn1cncn1)Cc1ccc2c(c1)OCCO2 ZINC000040543231 183099356 /nfs/dbraw/zinc/09/93/56/183099356.db2.gz XEHDNXZHAIMESE-UHFFFAOYSA-N 1 0 302.378 1.962 50 0 DDAARO Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCC[NH+](C)C)O2 ZINC000040808687 183136930 /nfs/dbraw/zinc/13/69/30/183136930.db2.gz JGXCQAORMLULHO-INIZCTEOSA-N 1 0 305.378 1.153 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000041977133 183227373 /nfs/dbraw/zinc/22/73/73/183227373.db2.gz JNAFDHQEHRQBPZ-CYBMUJFWSA-N 1 0 317.393 1.045 50 0 DDAARO CC[C@@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825475 194137722 /nfs/dbraw/zinc/13/77/22/194137722.db2.gz IUSSVJVXOOPWDJ-GDBMZVCRSA-N 1 0 305.422 1.402 50 0 DDAARO O[C@@H](Cn1cccn1)C[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000106513300 194221738 /nfs/dbraw/zinc/22/17/38/194221738.db2.gz MHUQIGKMYCVOSW-SJORKVTESA-N 1 0 316.405 1.320 50 0 DDAARO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000050246443 183778944 /nfs/dbraw/zinc/77/89/44/183778944.db2.gz LYGPCSRJTZLLOM-ZDUSSCGKSA-N 1 0 312.435 1.752 50 0 DDAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1F ZINC000110797646 194359321 /nfs/dbraw/zinc/35/93/21/194359321.db2.gz LLUODGJUQSEDTO-SECBINFHSA-N 1 0 306.790 1.757 50 0 DDAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000057456762 184039183 /nfs/dbraw/zinc/03/91/83/184039183.db2.gz JNEKDFZFRVTCIW-UONOGXRCSA-N 1 0 324.446 1.257 50 0 DDAARO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000057943015 184063484 /nfs/dbraw/zinc/06/34/84/184063484.db2.gz KMZJMACUCBMMAZ-HNNXBMFYSA-N 1 0 324.396 1.366 50 0 DDAARO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)c1cccs1 ZINC000058175391 184084887 /nfs/dbraw/zinc/08/48/87/184084887.db2.gz BORTYVAKRRZZDQ-LLVKDONJSA-N 1 0 307.419 1.173 50 0 DDAARO CCOc1ncccc1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000058160363 184082134 /nfs/dbraw/zinc/08/21/34/184082134.db2.gz UFYMXJHOEGIKBT-UHFFFAOYSA-N 1 0 320.437 1.238 50 0 DDAARO CN(C)[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(F)c1 ZINC000058315928 184104596 /nfs/dbraw/zinc/10/45/96/184104596.db2.gz MHRMWCUGWIIDQJ-CZUORRHYSA-N 1 0 317.412 1.956 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](CO)Cc1ccccc1)CN2 ZINC000058329506 184106201 /nfs/dbraw/zinc/10/62/01/184106201.db2.gz XLBCXJRCWRQPLY-SJORKVTESA-N 1 0 314.433 1.674 50 0 DDAARO Cn1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1=O ZINC000065285975 184322031 /nfs/dbraw/zinc/32/20/31/184322031.db2.gz NUHRCSXXGYBHSF-UHFFFAOYSA-N 1 0 315.392 1.842 50 0 DDAARO O=C(NCCNc1ncccn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065423358 184342211 /nfs/dbraw/zinc/34/22/11/184342211.db2.gz HMUDXRRSIQUESJ-CQSZACIVSA-N 1 0 318.425 1.158 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000065452210 184346598 /nfs/dbraw/zinc/34/65/98/184346598.db2.gz IHIVZYUCBCLCKR-UHFFFAOYSA-N 1 0 307.442 1.075 50 0 DDAARO CCc1nn(C)c(Cl)c1CN1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000065465848 184350402 /nfs/dbraw/zinc/35/04/02/184350402.db2.gz MJAYMHJSULFJGR-GFCCVEGCSA-N 1 0 311.861 1.068 50 0 DDAARO Cc1ccc(N2C[C@H](C(=O)NCC[N@@H+](C)C3CC3)CC2=O)cc1 ZINC000065402466 184337497 /nfs/dbraw/zinc/33/74/97/184337497.db2.gz VBMALTKIYUJYSY-CQSZACIVSA-N 1 0 315.417 1.558 50 0 DDAARO [NH3+]C[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CCO1 ZINC000065531488 184361321 /nfs/dbraw/zinc/36/13/21/184361321.db2.gz XBAJCMDWYMYRTG-CQSZACIVSA-N 1 0 306.797 1.685 50 0 DDAARO COc1ccccc1CNC(=O)C[NH2+]C[C@]1(C)CC(C)=NO1 ZINC000065531731 184361982 /nfs/dbraw/zinc/36/19/82/184361982.db2.gz GCLNFTVDIKFOSN-INIZCTEOSA-N 1 0 305.378 1.456 50 0 DDAARO CS[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000270604694 257238096 /nfs/dbraw/zinc/23/80/96/257238096.db2.gz DLSUJEPFEWFJQM-LSDHHAIUSA-N 1 0 307.463 1.870 50 0 DDAARO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000156129340 257239736 /nfs/dbraw/zinc/23/97/36/257239736.db2.gz MICKONACRIUAJY-GHMZBOCLSA-N 1 0 314.407 1.204 50 0 DDAARO COc1ccsc1S(=O)(=O)N1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000521394474 257240899 /nfs/dbraw/zinc/24/08/99/257240899.db2.gz PLADPWJVBUBLPF-UHFFFAOYSA-N 1 0 318.464 1.908 50 0 DDAARO O=C(CN1CCC[C@@H]([NH+]2CCCCCC2)C1)NC[C@@H]1CCCO1 ZINC000071886750 184888694 /nfs/dbraw/zinc/88/86/94/184888694.db2.gz BRKYFOGYMVDPJC-SJORKVTESA-N 1 0 323.481 1.622 50 0 DDAARO CCCC[NH+]1CCC(NS(=O)(=O)c2cncc(F)c2)CC1 ZINC000068902358 406669994 /nfs/dbraw/zinc/66/99/94/406669994.db2.gz MHOPPLNWDCFNLI-UHFFFAOYSA-N 1 0 315.414 1.764 50 0 DDAARO CCOc1cc(C[NH2+]CCO)c(Br)cc1OC ZINC000002845946 406705312 /nfs/dbraw/zinc/70/53/12/406705312.db2.gz LGSWLMRHCVHCIC-UHFFFAOYSA-N 1 0 304.184 1.938 50 0 DDAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000069582188 406736422 /nfs/dbraw/zinc/73/64/22/406736422.db2.gz JRRHUOZSHNTZGD-MRXNPFEDSA-N 1 0 323.481 1.968 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)NCCOc2ccccc2)c1 ZINC000069773839 406771664 /nfs/dbraw/zinc/77/16/64/406771664.db2.gz FLTNHFAUXTUBMA-OAHLLOKOSA-N 1 0 316.405 1.365 50 0 DDAARO CC[NH+]1CCC(NC(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000069705274 406759688 /nfs/dbraw/zinc/75/96/88/406759688.db2.gz OYKMEOXWTSMKEI-UHFFFAOYSA-N 1 0 314.430 1.295 50 0 DDAARO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(CO)c1 ZINC000003130410 406711294 /nfs/dbraw/zinc/71/12/94/406711294.db2.gz MURUKYPSKMTTQR-INIZCTEOSA-N 1 0 307.390 1.607 50 0 DDAARO C[C@@H]1C[N@@H+](CCCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000069439741 406711584 /nfs/dbraw/zinc/71/15/84/406711584.db2.gz TYJNQVYGBCFECN-OKILXGFUSA-N 1 0 301.394 1.704 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 ZINC000069894600 406786989 /nfs/dbraw/zinc/78/69/89/406786989.db2.gz PZVGTDJFPAFJCK-STQMWFEESA-N 1 0 321.446 1.936 50 0 DDAARO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncnc2ccc(F)cc21 ZINC000069897654 406788963 /nfs/dbraw/zinc/78/89/63/406788963.db2.gz WSALHKCTZMMAKM-LBPRGKRZSA-N 1 0 303.385 1.817 50 0 DDAARO CC(C)Cc1ccc([C@H](O)CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000069947946 406793038 /nfs/dbraw/zinc/79/30/38/406793038.db2.gz JVXNXRDONYCBAB-QFBILLFUSA-N 1 0 320.477 1.917 50 0 DDAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)n1 ZINC000070004307 406801449 /nfs/dbraw/zinc/80/14/49/406801449.db2.gz IZLBMIWOOJTOGB-INIZCTEOSA-N 1 0 320.437 1.213 50 0 DDAARO CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070013396 406803759 /nfs/dbraw/zinc/80/37/59/406803759.db2.gz BDDGJIRVPORJKW-GXTWGEPZSA-N 1 0 307.438 1.376 50 0 DDAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000070018776 406804498 /nfs/dbraw/zinc/80/44/98/406804498.db2.gz OHJXNYCJHFCMLT-OCCSQVGLSA-N 1 0 320.389 1.267 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ncccn2)CC1 ZINC000008992050 406799738 /nfs/dbraw/zinc/79/97/38/406799738.db2.gz RZVOVPZGFGPIRL-HNNXBMFYSA-N 1 0 317.437 1.294 50 0 DDAARO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CCO1 ZINC000070039958 406807434 /nfs/dbraw/zinc/80/74/34/406807434.db2.gz VALRYAPFCLRQCE-GFCCVEGCSA-N 1 0 308.407 1.561 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000010113685 406819574 /nfs/dbraw/zinc/81/95/74/406819574.db2.gz OUBCIKRCCIQKLF-UHFFFAOYSA-N 1 0 317.433 1.739 50 0 DDAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1C ZINC000011820319 406830247 /nfs/dbraw/zinc/83/02/47/406830247.db2.gz OWPAYNOGIXPKFE-HNNXBMFYSA-N 1 0 316.380 1.758 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000071144570 406833029 /nfs/dbraw/zinc/83/30/29/406833029.db2.gz QXSSYAKPSLINPN-VIFPVBQESA-N 1 0 306.790 1.709 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000071405728 406838670 /nfs/dbraw/zinc/83/86/70/406838670.db2.gz SKDYQBBELJRZAR-RNFRBKRXSA-N 1 0 320.827 1.207 50 0 DDAARO Cc1occc1C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000071819389 406846459 /nfs/dbraw/zinc/84/64/59/406846459.db2.gz VXKUYRHLYYVVGD-UHFFFAOYSA-N 1 0 301.350 1.231 50 0 DDAARO CC1CC[NH+](C[C@H](O)Cn2nc(-c3ccco3)oc2=O)CC1 ZINC000071825104 406847547 /nfs/dbraw/zinc/84/75/47/406847547.db2.gz ARHSFXZUYGDWRX-LBPRGKRZSA-N 1 0 307.350 1.189 50 0 DDAARO CCC[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012752008 406850591 /nfs/dbraw/zinc/85/05/91/406850591.db2.gz DXRKKIFKQCJYAA-INIZCTEOSA-N 1 0 312.360 1.818 50 0 DDAARO Cc1ccsc1CNC(=O)CN1CCC(C[NH+](C)C)CC1 ZINC000071899653 406864342 /nfs/dbraw/zinc/86/43/42/406864342.db2.gz OUWXTGZWGNGQHQ-UHFFFAOYSA-N 1 0 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CC(=O)N1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000084139556 407083702 /nfs/dbraw/zinc/08/37/02/407083702.db2.gz FFCYQGCBVLKKJW-ZDUSSCGKSA-N 1 0 312.458 1.227 50 0 DDAARO Cc1nc(Cl)ccc1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000089536910 407138844 /nfs/dbraw/zinc/13/88/44/407138844.db2.gz TYYZTDFTXZPTIQ-UHFFFAOYSA-N 1 0 321.812 1.983 50 0 DDAARO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000089702323 407144323 /nfs/dbraw/zinc/14/43/23/407144323.db2.gz OWCFWENRMFDEID-OAHLLOKOSA-N 1 0 317.393 1.303 50 0 DDAARO O=C(NCCc1cccc(O)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000089780624 407148217 /nfs/dbraw/zinc/14/82/17/407148217.db2.gz JJLVJMAHIGVXGM-OAHLLOKOSA-N 1 0 303.406 1.814 50 0 DDAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052774836 407156447 /nfs/dbraw/zinc/15/64/47/407156447.db2.gz MSMIHRWPHWXERA-BHYGNILZSA-N 1 0 322.449 1.657 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000089937715 407159610 /nfs/dbraw/zinc/15/96/10/407159610.db2.gz 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ZINC000096181326 407243170 /nfs/dbraw/zinc/24/31/70/407243170.db2.gz JVFSNQRSHCKSIF-WBVHZDCISA-N 1 0 317.433 1.582 50 0 DDAARO CCOC(=O)C1C(C[N@H+](C)CC)=NC(=O)N[C@H]1c1ccccc1 ZINC000065613132 407245573 /nfs/dbraw/zinc/24/55/73/407245573.db2.gz IHUDOFWAYVLSKT-HNNXBMFYSA-N 1 0 317.389 1.809 50 0 DDAARO C[C@H](C(=O)NCc1cnc(N(C)C)n1C)[NH+]1CCCCCC1 ZINC000096436527 407265526 /nfs/dbraw/zinc/26/55/26/407265526.db2.gz CDHACTXFWALJBJ-CYBMUJFWSA-N 1 0 307.442 1.367 50 0 DDAARO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000096444952 407267743 /nfs/dbraw/zinc/26/77/43/407267743.db2.gz CSKCDYVVXVOPJP-AWEZNQCLSA-N 1 0 304.394 1.043 50 0 DDAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccon1 ZINC000096470372 407270076 /nfs/dbraw/zinc/27/00/76/407270076.db2.gz IIVVAOITMXXZAP-JHJVBQTASA-N 1 0 315.439 1.460 50 0 DDAARO c1ccc(OCCN2CCOCC2)c(C[NH2+][C@H]2CCSC2)c1 ZINC000096476744 407270488 /nfs/dbraw/zinc/27/04/88/407270488.db2.gz SIGQJAIJGVMDIY-INIZCTEOSA-N 1 0 322.474 1.993 50 0 DDAARO O=C(Nc1ncccn1)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000096485533 407271609 /nfs/dbraw/zinc/27/16/09/407271609.db2.gz DVAAAVGSZRURDL-ZIAGYGMSSA-N 1 0 304.394 1.431 50 0 DDAARO O=c1oc2ccccc2n1CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067458452 407273704 /nfs/dbraw/zinc/27/37/04/407273704.db2.gz NPVPAMKHMXXQBP-KRWDZBQOSA-N 1 0 301.390 1.670 50 0 DDAARO COc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccco3)C2)ccn1 ZINC000067473206 407275032 /nfs/dbraw/zinc/27/50/32/407275032.db2.gz FIRHUMOGPWISMY-ZDUSSCGKSA-N 1 0 315.373 1.935 50 0 DDAARO CCOC(=O)c1nn(CCc2scnc2C)c2c1C[NH2+]CC2 ZINC000067675947 407279869 /nfs/dbraw/zinc/27/98/69/407279869.db2.gz DGHHGAJAQKTKDZ-UHFFFAOYSA-N 1 0 320.418 1.713 50 0 DDAARO CC[C@H](O)C[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067714137 407281064 /nfs/dbraw/zinc/28/10/64/407281064.db2.gz FVEQUEKEEQSNCB-LBPRGKRZSA-N 1 0 315.373 1.934 50 0 DDAARO Cc1nc(C)c(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)s1 ZINC000067784505 407284157 /nfs/dbraw/zinc/28/41/57/407284157.db2.gz 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/nfs/dbraw/zinc/29/89/38/407298938.db2.gz GEDKNVWYAXDRBW-ZDUSSCGKSA-N 1 0 308.451 1.937 50 0 DDAARO O=C(c1cccc(F)c1)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097675460 407301165 /nfs/dbraw/zinc/30/11/65/407301165.db2.gz HIGGAPWWNAGGGF-CQSZACIVSA-N 1 0 306.381 1.650 50 0 DDAARO COCC[NH+]1CCC(C(=O)NC[C@H](C)n2nc(C)cc2C)CC1 ZINC000097757902 407302071 /nfs/dbraw/zinc/30/20/71/407302071.db2.gz YKFLXUDQJQNHCT-HNNXBMFYSA-N 1 0 322.453 1.536 50 0 DDAARO [NH3+]CC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000123876472 407341688 /nfs/dbraw/zinc/34/16/88/407341688.db2.gz QIOQKLYEKJZMRC-UHFFFAOYSA-N 1 0 306.790 1.839 50 0 DDAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1c(F)cccc1Br ZINC000124040532 407346304 /nfs/dbraw/zinc/34/63/04/407346304.db2.gz GWEKTKPJRTXEEP-ZJUUUORDSA-N 1 0 317.158 1.305 50 0 DDAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2)cn1 ZINC000106837385 407362161 /nfs/dbraw/zinc/36/21/61/407362161.db2.gz BLBGYMHPSFCDNV-NVXWUHKLSA-N 1 0 301.390 1.997 50 0 DDAARO CN1CC[N@H+](CCCc2cccnc2)C[C@@]12CCNC(=O)CC2 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O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(F)c2)n1 ZINC000057554934 184042099 /nfs/dbraw/zinc/04/20/99/184042099.db2.gz ZNAFGOJVXHMHMX-ZDUSSCGKSA-N 1 0 314.364 1.978 50 0 DDAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(-n2cncn2)cc1 ZINC000058299913 184102791 /nfs/dbraw/zinc/10/27/91/184102791.db2.gz DTIJMIOADGVCFX-KBPBESRZSA-N 1 0 323.404 1.856 50 0 DDAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc[nH]1 ZINC000065083725 184310471 /nfs/dbraw/zinc/31/04/71/184310471.db2.gz LPRRKTJUUFELIC-UHFFFAOYSA-N 1 0 311.385 1.978 50 0 DDAARO CC(=O)NCC1=CC[N@H+](CCNC(=O)c2ccccc2)CC1 ZINC000065422779 184342250 /nfs/dbraw/zinc/34/22/50/184342250.db2.gz CQQFPDSCLSWOBU-UHFFFAOYSA-N 1 0 301.390 1.185 50 0 DDAARO C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000065440636 184345369 /nfs/dbraw/zinc/34/53/69/184345369.db2.gz JFXSTAMKEJZNCI-ZDUSSCGKSA-N 1 0 319.405 1.866 50 0 DDAARO CCc1cc(N2CCCN(C(=O)C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000065398642 184336531 /nfs/dbraw/zinc/33/65/31/184336531.db2.gz ZIRNVAWUOPBTFH-UHFFFAOYSA-N 1 0 317.437 1.554 50 0 DDAARO CC(C)Cn1c(CN2CCO[C@@H](C[NH3+])C2)nc2ccccc21 ZINC000065532713 184361937 /nfs/dbraw/zinc/36/19/37/184361937.db2.gz DQMQBAGWBCPGSZ-AWEZNQCLSA-N 1 0 302.422 1.852 50 0 DDAARO O=C(CCNC(=O)c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065586969 184369130 /nfs/dbraw/zinc/36/91/30/184369130.db2.gz JZFDRXZNFWRZTG-MRXNPFEDSA-N 1 0 315.417 1.503 50 0 DDAARO C[C@H]([NH2+]Cc1ccc2nonc2c1)C(=O)Nc1nccs1 ZINC000065506523 184356866 /nfs/dbraw/zinc/35/68/66/184356866.db2.gz CPSKUSWMVDFDHD-QMMMGPOBSA-N 1 0 303.347 1.796 50 0 DDAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000065624572 184375680 /nfs/dbraw/zinc/37/56/80/184375680.db2.gz MWUYNZRGFZMVJE-QGZVFWFLSA-N 1 0 314.433 1.909 50 0 DDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)n1 ZINC000065552438 291861272 /nfs/dbraw/zinc/86/12/72/291861272.db2.gz UZJPXFXLMLQPST-GFCCVEGCSA-N 1 0 304.442 1.786 50 0 DDAARO O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095377911 257272022 /nfs/dbraw/zinc/27/20/22/257272022.db2.gz KCHIEXOVAOLZFU-CQSZACIVSA-N 1 0 306.406 1.829 50 0 DDAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000237524594 257238348 /nfs/dbraw/zinc/23/83/48/257238348.db2.gz WJVVQFKEJQQSPU-JQWIXIFHSA-N 1 0 303.341 1.358 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000237543754 257238915 /nfs/dbraw/zinc/23/89/15/257238915.db2.gz UUXKMYYZASPRTG-DZGCQCFKSA-N 1 0 313.401 1.730 50 0 DDAARO CC[C@@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1nccs1 ZINC000072408483 257270897 /nfs/dbraw/zinc/27/08/97/257270897.db2.gz WZVBDHDNCBBZMX-SNVBAGLBSA-N 1 0 304.423 1.767 50 0 DDAARO c1cncc(-c2nc3c(c(N4CC=CCC4)n2)CC[NH2+]CC3)c1 ZINC000065397034 134823569 /nfs/dbraw/zinc/82/35/69/134823569.db2.gz YRIDIDGKFJHOAJ-UHFFFAOYSA-N 1 0 307.401 1.993 50 0 DDAARO CC(C)[N@H+](C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000069413898 406705526 /nfs/dbraw/zinc/70/55/26/406705526.db2.gz PFSOEJKYOASQFC-UHFFFAOYSA-N 1 0 307.423 1.614 50 0 DDAARO O=C(COCCOc1ccccc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069565746 406735034 /nfs/dbraw/zinc/73/50/34/406735034.db2.gz UGWOMRHXPDOYLM-OAHLLOKOSA-N 1 0 318.417 1.683 50 0 DDAARO CCCN(C(=O)C[NH2+][C@@H]1CCc2ncnn2C1)C1=CCCCC1 ZINC000069600240 406743494 /nfs/dbraw/zinc/74/34/94/406743494.db2.gz REMVHPWOGPMQKR-CQSZACIVSA-N 1 0 317.437 1.879 50 0 DDAARO CC[N@@H+]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069632401 406749379 /nfs/dbraw/zinc/74/93/79/406749379.db2.gz MYDYOIGQCGZYBR-OKILXGFUSA-N 1 0 303.472 1.237 50 0 DDAARO Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)cc1F ZINC000069700943 406757724 /nfs/dbraw/zinc/75/77/24/406757724.db2.gz RNMDKAHOLZWLRU-CJNGLKHVSA-N 1 0 308.397 1.986 50 0 DDAARO CC(C)CNC(=O)c1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069738529 406762724 /nfs/dbraw/zinc/76/27/24/406762724.db2.gz JRRSQSBBKLQVDQ-QGZVFWFLSA-N 1 0 319.449 1.493 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000002954263 406708222 /nfs/dbraw/zinc/70/82/22/406708222.db2.gz GFVNQUXKTCQZEA-CQSZACIVSA-N 1 0 307.438 1.380 50 0 DDAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+](CCO)CCO)cc1 ZINC000003151868 406713934 /nfs/dbraw/zinc/71/39/34/406713934.db2.gz LUTMOSWXQHQGSH-HNNXBMFYSA-N 1 0 311.422 1.010 50 0 DDAARO O=C1OCC[C@@H]1NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069518175 406727482 /nfs/dbraw/zinc/72/74/82/406727482.db2.gz MOZQQTBKMDBHNQ-IRXDYDNUSA-N 1 0 318.417 1.337 50 0 DDAARO COCC[N@H+](C)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000069534940 406730709 /nfs/dbraw/zinc/73/07/09/406730709.db2.gz CJCPXUPEPLIJBO-UHFFFAOYSA-N 1 0 308.397 1.942 50 0 DDAARO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000069870936 406783936 /nfs/dbraw/zinc/78/39/36/406783936.db2.gz FCLCYCRYHJAFGV-HNNXBMFYSA-N 1 0 314.389 1.962 50 0 DDAARO COc1cc(CCC2CC[NH+](CC(N)=O)CC2)cc(OC)c1 ZINC000008772500 406794592 /nfs/dbraw/zinc/79/45/92/406794592.db2.gz HBHMCKHZPNVLDE-UHFFFAOYSA-N 1 0 306.406 1.834 50 0 DDAARO COCCC[NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008390541 406785269 /nfs/dbraw/zinc/78/52/69/406785269.db2.gz RLOTZNFHJLVALX-UHFFFAOYSA-N 1 0 305.378 1.143 50 0 DDAARO CC(C)(O)C[NH+]1CCN(C(=O)CCOc2ccccc2F)CC1 ZINC000069951415 406795920 /nfs/dbraw/zinc/79/59/20/406795920.db2.gz JBNKNHHIOURWTA-UHFFFAOYSA-N 1 0 324.396 1.510 50 0 DDAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CC3)C2=O)cc1F ZINC000011662687 406829201 /nfs/dbraw/zinc/82/92/01/406829201.db2.gz JNZDWAKIKPRBHM-SFHVURJKSA-N 1 0 320.408 1.987 50 0 DDAARO Nc1ncc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)cn1 ZINC000011775011 406830315 /nfs/dbraw/zinc/83/03/15/406830315.db2.gz UHZMDRMXHICLKJ-UHFFFAOYSA-N 1 0 303.410 1.330 50 0 DDAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCOCC1 ZINC000011818487 406831118 /nfs/dbraw/zinc/83/11/18/406831118.db2.gz CSXUYXGTTGGPBZ-OAHLLOKOSA-N 1 0 312.479 1.843 50 0 DDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000071310382 406837517 /nfs/dbraw/zinc/83/75/17/406837517.db2.gz GKRPBRFCHTVJIL-VIFPVBQESA-N 1 0 324.324 1.568 50 0 DDAARO Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012756576 406851663 /nfs/dbraw/zinc/85/16/63/406851663.db2.gz GHMHIMRICUQQMD-HNNXBMFYSA-N 1 0 322.453 1.149 50 0 DDAARO C[C@H]1C[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000071883024 406860731 /nfs/dbraw/zinc/86/07/31/406860731.db2.gz MZQMEDZVVGZREY-GJZGRUSLSA-N 1 0 317.433 1.907 50 0 DDAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014751783 406877873 /nfs/dbraw/zinc/87/78/73/406877873.db2.gz NFOJIOMBCKXTSS-UHFFFAOYSA-N 1 0 317.389 1.641 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000072288470 406878939 /nfs/dbraw/zinc/87/89/39/406878939.db2.gz GKOTWPCEERLBQE-OAHLLOKOSA-N 1 0 323.404 1.487 50 0 DDAARO C[C@]1([C@H]2CCC[N@H+](CCc3cccs3)C2)NC(=O)NC1=O ZINC000072300725 406880235 /nfs/dbraw/zinc/88/02/35/406880235.db2.gz IXWZTEUDGAZPDQ-XHDPSFHLSA-N 1 0 307.419 1.601 50 0 DDAARO CNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000025755571 406900235 /nfs/dbraw/zinc/90/02/35/406900235.db2.gz GYRGXKUZRZPBJY-CQSZACIVSA-N 1 0 310.369 1.023 50 0 DDAARO CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000071762201 406842298 /nfs/dbraw/zinc/84/22/98/406842298.db2.gz ZSRSVGFJIVERER-AWEZNQCLSA-N 1 0 312.435 1.596 50 0 DDAARO COc1cc(C[NH2+]CCCO)cc(Br)c1OC ZINC000035161278 406968492 /nfs/dbraw/zinc/96/84/92/406968492.db2.gz BNWZYAZHOOSMEZ-UHFFFAOYSA-N 1 0 304.184 1.938 50 0 DDAARO Cc1n[nH]c(C)c1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000036266790 406977719 /nfs/dbraw/zinc/97/77/19/406977719.db2.gz YIEMFQKDACANLY-UHFFFAOYSA-N 1 0 300.428 1.357 50 0 DDAARO CCCOCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000075124251 406922691 /nfs/dbraw/zinc/92/26/91/406922691.db2.gz IUGYEFGDTFIYOW-UHFFFAOYSA-N 1 0 319.449 1.477 50 0 DDAARO O=C(c1ccccc1F)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162605 406925527 /nfs/dbraw/zinc/92/55/27/406925527.db2.gz JYVMMMNRXQOVLU-UHFFFAOYSA-N 1 0 316.380 1.870 50 0 DDAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000036359508 406979642 /nfs/dbraw/zinc/97/96/42/406979642.db2.gz NITHVAPTQHEGSO-UHFFFAOYSA-N 1 0 319.405 1.756 50 0 DDAARO CCCC[NH+]1CCN(C(=O)c2cn3c(n2)CN(CC)CC3)CC1 ZINC000075524256 406934294 /nfs/dbraw/zinc/93/42/94/406934294.db2.gz RJWKDYBBLYUWIW-UHFFFAOYSA-N 1 0 319.453 1.277 50 0 DDAARO CCn1cnnc1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000076016708 406950014 /nfs/dbraw/zinc/95/00/14/406950014.db2.gz ADTCDQGZXHGIOR-LBPRGKRZSA-N 1 0 310.446 1.464 50 0 DDAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1nc(C)no1 ZINC000032617152 406950334 /nfs/dbraw/zinc/95/03/34/406950334.db2.gz ACOXOTMAAQZVBI-SNVBAGLBSA-N 1 0 307.350 1.436 50 0 DDAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000032682370 406951397 /nfs/dbraw/zinc/95/13/97/406951397.db2.gz ZPMAVNZRLDHMHH-HNNXBMFYSA-N 1 0 309.406 1.308 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C[C@@H]1[NH+](C)C ZINC000076051101 406951524 /nfs/dbraw/zinc/95/15/24/406951524.db2.gz NAQLPLVWDKHJIC-BMIGLBTASA-N 1 0 317.364 1.689 50 0 DDAARO CC[N@H+](CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000076086946 406954622 /nfs/dbraw/zinc/95/46/22/406954622.db2.gz DYQYRKWEJKVIIJ-ZNMIVQPWSA-N 1 0 309.454 1.974 50 0 DDAARO O=c1[nH]c(N2CC[C@H](C[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000078404477 407027009 /nfs/dbraw/zinc/02/70/09/407027009.db2.gz XODNWSIPCZHDEV-CYBMUJFWSA-N 1 0 314.389 1.082 50 0 DDAARO COc1cccc(C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000044648949 407028010 /nfs/dbraw/zinc/02/80/10/407028010.db2.gz OWRPPEPEKUJIGA-UHFFFAOYSA-N 1 0 305.378 1.457 50 0 DDAARO CC(C)n1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cn1 ZINC000077485570 406992057 /nfs/dbraw/zinc/99/20/57/406992057.db2.gz HJAYPMBUWNYUHV-MRXNPFEDSA-N 1 0 308.426 1.383 50 0 DDAARO CN(CCO)Cc1nnc(C2CC[NH+](C3CCCC3)CC2)n1C ZINC000077537191 406995761 /nfs/dbraw/zinc/99/57/61/406995761.db2.gz VFAZNZBMRGNPAY-UHFFFAOYSA-N 1 0 321.469 1.361 50 0 DDAARO C[NH+]1CCN(c2cc(CNC(=O)c3ccoc3)ccn2)CC1 ZINC000048262177 407092596 /nfs/dbraw/zinc/09/25/96/407092596.db2.gz JZNXWTQGCIEFDJ-UHFFFAOYSA-N 1 0 300.362 1.356 50 0 DDAARO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000048355681 407095995 /nfs/dbraw/zinc/09/59/95/407095995.db2.gz DQUIBLFEVAMCJK-AWEZNQCLSA-N 1 0 321.465 1.767 50 0 DDAARO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436661 407101545 /nfs/dbraw/zinc/10/15/45/407101545.db2.gz FBNIXMKXEWMRFA-INIZCTEOSA-N 1 0 322.836 1.798 50 0 DDAARO Cc1cc(C)cc(C(=O)N2CCOC[C@H]2C[N@H+](C)CCO)c1 ZINC000085469794 407102265 /nfs/dbraw/zinc/10/22/65/407102265.db2.gz FGUJTAZEWYPHFY-MRXNPFEDSA-N 1 0 306.406 1.069 50 0 DDAARO C[NH+](C)C[C@H]1COCCN1C(=O)c1cnc2ccccc2n1 ZINC000085470139 407102863 /nfs/dbraw/zinc/10/28/63/407102863.db2.gz NFKDBAIITKBNOZ-LBPRGKRZSA-N 1 0 300.362 1.032 50 0 DDAARO Cc1nc(C(=O)NC[C@H](C)[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000046272835 407058314 /nfs/dbraw/zinc/05/83/14/407058314.db2.gz ZNYJXOFNGBYCKX-JTQLQIEISA-N 1 0 305.357 1.395 50 0 DDAARO C[NH+](C)Cc1cccc(CNC(=O)CN2CCCCCC2=O)c1 ZINC000046379601 407059681 /nfs/dbraw/zinc/05/96/81/407059681.db2.gz FEWYIMWBVMACGG-UHFFFAOYSA-N 1 0 317.433 1.767 50 0 DDAARO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000052093379 407147101 /nfs/dbraw/zinc/14/71/01/407147101.db2.gz XDZICPFGQIYJAC-SECBINFHSA-N 1 0 319.224 1.398 50 0 DDAARO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000089774667 407148453 /nfs/dbraw/zinc/14/84/53/407148453.db2.gz NQAHQIUXFGNFET-GFCCVEGCSA-N 1 0 318.826 1.472 50 0 DDAARO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)NC1CCOCC1 ZINC000089780631 407149408 /nfs/dbraw/zinc/14/94/08/407149408.db2.gz AOPOKVYJFRBSQM-UHFFFAOYSA-N 1 0 318.417 1.899 50 0 DDAARO CC(C)CN1CCO[C@H](C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153365 /nfs/dbraw/zinc/15/33/65/407153365.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 1 0 306.454 1.946 50 0 DDAARO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1nncn1C ZINC000089929967 407159583 /nfs/dbraw/zinc/15/95/83/407159583.db2.gz BZPDMNZMHHMIHW-ZDUSSCGKSA-N 1 0 308.430 1.297 50 0 DDAARO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000052961022 407160836 /nfs/dbraw/zinc/16/08/36/407160836.db2.gz VOHWJMNVCABTHU-RYUDHWBXSA-N 1 0 308.382 1.288 50 0 DDAARO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cnn(C)c1 ZINC000090913846 407172594 /nfs/dbraw/zinc/17/25/94/407172594.db2.gz SIJGEECOZVJRGQ-QGTPRVQTSA-N 1 0 314.433 1.706 50 0 DDAARO Cn1ccnc1C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000091680709 407183070 /nfs/dbraw/zinc/18/30/70/407183070.db2.gz CRYVLBMZAVPGND-HIFRSBDPSA-N 1 0 302.422 1.610 50 0 DDAARO c1cnn(-c2ccc(C[NH+]3CCN(c4cnccn4)CC3)cc2)c1 ZINC000096305469 407259174 /nfs/dbraw/zinc/25/91/74/407259174.db2.gz YBEMDNYQKWDIPR-UHFFFAOYSA-N 1 0 320.400 1.985 50 0 DDAARO O=C1C[C@@H]([NH2+]C[C@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 ZINC000095299532 407207085 /nfs/dbraw/zinc/20/70/85/407207085.db2.gz VAMWECCUGRLWRX-CHWSQXEVSA-N 1 0 308.765 1.741 50 0 DDAARO Cn1ncnc1CCNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095373119 407210625 /nfs/dbraw/zinc/21/06/25/407210625.db2.gz YYTGQZCYDMXBBS-UHFFFAOYSA-N 1 0 319.453 1.519 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N(C)CCCc2cnn(C)c2)C1 ZINC000095382895 407212027 /nfs/dbraw/zinc/21/20/27/407212027.db2.gz GIGDNIBCTQEJOY-QGZVFWFLSA-N 1 0 306.454 1.933 50 0 DDAARO NC(=O)[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000095426059 407213280 /nfs/dbraw/zinc/21/32/80/407213280.db2.gz VDPPBNHPPAZFEI-SQWLQELKSA-N 1 0 306.431 1.857 50 0 DDAARO Cc1cccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)c1C ZINC000057943103 407219343 /nfs/dbraw/zinc/21/93/43/407219343.db2.gz ZJSSJRMPTAKNHY-UHFFFAOYSA-N 1 0 304.394 1.010 50 0 DDAARO COCCn1nc(C)c(C[NH2+]C[C@H]2CNc3ccnn3C2)c1C ZINC000058369323 407220762 /nfs/dbraw/zinc/22/07/62/407220762.db2.gz UUAOYIZVTYDJCG-AWEZNQCLSA-N 1 0 318.425 1.174 50 0 DDAARO Cc1[nH+]c(N2CCCC2)ccc1NC1CCN(C(N)=O)CC1 ZINC000095988502 407221100 /nfs/dbraw/zinc/22/11/00/407221100.db2.gz ARJDXBIUIBTZMR-UHFFFAOYSA-N 1 0 303.410 1.945 50 0 DDAARO Cc1cnn(Cc2cccc(F)c2)c1NC(=O)[C@H]1C=CC[NH2+]1 ZINC000063847168 407236514 /nfs/dbraw/zinc/23/65/14/407236514.db2.gz HMQFVIXBUIXVIA-CQSZACIVSA-N 1 0 300.337 1.845 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC000096134038 407239357 /nfs/dbraw/zinc/23/93/57/407239357.db2.gz ZKVRPWSUJARTQI-HNNXBMFYSA-N 1 0 300.443 1.618 50 0 DDAARO O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCc2[nH]cnc2C1 ZINC000096150186 407240574 /nfs/dbraw/zinc/24/05/74/407240574.db2.gz TVRWVZOGVSDSQZ-ZDUSSCGKSA-N 1 0 318.421 1.185 50 0 DDAARO OCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000102481074 407323425 /nfs/dbraw/zinc/32/34/25/407323425.db2.gz FODWSWMDNITICW-HOTGVXAUSA-N 1 0 311.397 1.940 50 0 DDAARO CCc1cnc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000096439861 407266956 /nfs/dbraw/zinc/26/69/56/407266956.db2.gz QVGMMZXSULKWTQ-VXGBXAGGSA-N 1 0 324.450 1.368 50 0 DDAARO CC1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000096477307 407270510 /nfs/dbraw/zinc/27/05/10/407270510.db2.gz JYHLGUVQDKPYSO-LBPRGKRZSA-N 1 0 306.497 1.533 50 0 DDAARO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1C=C[C@H](CO)C1 ZINC000096485618 407271447 /nfs/dbraw/zinc/27/14/47/407271447.db2.gz UOUITSZQXFOGSN-LSDHHAIUSA-N 1 0 308.422 1.075 50 0 DDAARO CCc1nccn1CCc1nc(CC2CC[NH+](C)CC2)no1 ZINC000067446555 407273761 /nfs/dbraw/zinc/27/37/61/407273761.db2.gz ZMMQXNKTQNTJHN-UHFFFAOYSA-N 1 0 303.410 1.956 50 0 DDAARO CCc1[nH]nc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)c1C ZINC000097076466 407277991 /nfs/dbraw/zinc/27/79/91/407277991.db2.gz GNASQSKAYMJKDV-GFCCVEGCSA-N 1 0 307.442 1.036 50 0 DDAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CC1 ZINC000067673309 407279323 /nfs/dbraw/zinc/27/93/23/407279323.db2.gz DTBLRGNPUGSIOE-SFHVURJKSA-N 1 0 302.418 1.725 50 0 DDAARO CCCNc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cn1 ZINC000067688725 407280289 /nfs/dbraw/zinc/28/02/89/407280289.db2.gz KVNXGXYXZGGAFS-KRWDZBQOSA-N 1 0 317.437 1.743 50 0 DDAARO O=C(CC[NH2+]Cc1ncc[nH]1)N1CCN(c2ccccc2)CC1 ZINC000067696057 407280640 /nfs/dbraw/zinc/28/06/40/407280640.db2.gz SHIBLDKHFMEKDK-UHFFFAOYSA-N 1 0 313.405 1.238 50 0 DDAARO COc1cc(OC)c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000067805909 407285045 /nfs/dbraw/zinc/28/50/45/407285045.db2.gz XAJGKJUVMXYLGY-LBPRGKRZSA-N 1 0 322.405 1.784 50 0 DDAARO COc1ncc(C[N@@H+]2CC[C@H](CNC(=O)C=C(C)C)C2)cn1 ZINC000067842786 407287181 /nfs/dbraw/zinc/28/71/81/407287181.db2.gz BJQQGDXMZNPVOH-CYBMUJFWSA-N 1 0 304.394 1.390 50 0 DDAARO CCN(CC1=CCC[N@H+](Cc2c(C)noc2C)C1)C(=O)COC ZINC000067881390 407289179 /nfs/dbraw/zinc/28/91/79/407289179.db2.gz VGVCAJMSMKLNKU-UHFFFAOYSA-N 1 0 321.421 1.918 50 0 DDAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1nn[nH]n1 ZINC000097578543 407299766 /nfs/dbraw/zinc/29/97/66/407299766.db2.gz UECHTAMNSHWKOI-UHFFFAOYSA-N 1 0 302.382 1.184 50 0 DDAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCN3CCCCC3)C2=O)cc1 ZINC000100594305 407308011 /nfs/dbraw/zinc/30/80/11/407308011.db2.gz ALZQCYDLJRJNEM-MRXNPFEDSA-N 1 0 315.417 1.702 50 0 DDAARO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000103462254 407339633 /nfs/dbraw/zinc/33/96/33/407339633.db2.gz NAWCTXDTMIDZMO-NWDGAFQWSA-N 1 0 314.407 1.517 50 0 DDAARO CCOc1cccc(N2CC[NH+](CCn3cccn3)CC2)n1 ZINC000106873767 407363829 /nfs/dbraw/zinc/36/38/29/407363829.db2.gz ARXBJOVLDZWMPX-UHFFFAOYSA-N 1 0 301.394 1.499 50 0 DDAARO CC[C@H]1CN(Cc2cn3ccsc3n2)CC[N@@H+]1C[C@H](C)O ZINC000106906936 407366679 /nfs/dbraw/zinc/36/66/79/407366679.db2.gz ZBDYIULWQKUVQL-JSGCOSHPSA-N 1 0 308.451 1.673 50 0 DDAARO O=C(NC1CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000107147270 407369751 /nfs/dbraw/zinc/36/97/51/407369751.db2.gz NTIDTMHPTVNLMQ-ZBFHGGJFSA-N 1 0 303.406 1.331 50 0 DDAARO Cc1nc(CN2CCN(CC(C)(C)C[NH+]3CCCC3)CC2)no1 ZINC000215096536 407480711 /nfs/dbraw/zinc/48/07/11/407480711.db2.gz DZHJJOGFBMAWOS-UHFFFAOYSA-N 1 0 321.469 1.618 50 0 DDAARO CC[N@@H+]1CC[C@@H](c2nnc3n2CCN(C(=O)C(C)C)CC3)C1 ZINC000257190485 407487992 /nfs/dbraw/zinc/48/79/92/407487992.db2.gz MUUUAWIKNRLDSO-CYBMUJFWSA-N 1 0 305.426 1.128 50 0 DDAARO CC(C)[C@@H]1c2nccn2CCCN1C(=O)C1=NNC(=O)CC1 ZINC000257196774 407491822 /nfs/dbraw/zinc/49/18/22/407491822.db2.gz YWDNGRJEVYRRBN-CYBMUJFWSA-N 1 0 303.366 1.079 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1CO ZINC000253412767 407441373 /nfs/dbraw/zinc/44/13/73/407441373.db2.gz RYAZRCPFWGINQF-JOYOIKCWSA-N 1 0 300.761 1.474 50 0 DDAARO CC(C)CN(CC[NH+](C)C)C(=O)c1cnc(OCC2CC2)cn1 ZINC000253416676 407441458 /nfs/dbraw/zinc/44/14/58/407441458.db2.gz FVAANPRXCYGMIV-UHFFFAOYSA-N 1 0 320.437 1.925 50 0 DDAARO Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C)OCO2 ZINC000253416046 407442829 /nfs/dbraw/zinc/44/28/29/407442829.db2.gz RVZKDKXCPRKTSL-GHMZBOCLSA-N 1 0 312.391 1.224 50 0 DDAARO CNC(=O)[C@H](NC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC000218963594 407525719 /nfs/dbraw/zinc/52/57/19/407525719.db2.gz YZNFFPJCHGKIEX-MRXNPFEDSA-N 1 0 303.406 1.466 50 0 DDAARO C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCOCC2)ncn1 ZINC000225487151 407591000 /nfs/dbraw/zinc/59/10/00/407591000.db2.gz CNLKVEIIZLSFGA-OAHLLOKOSA-N 1 0 319.453 1.990 50 0 DDAARO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000226952616 407625931 /nfs/dbraw/zinc/62/59/31/407625931.db2.gz AYDMWHCJXKIQTF-RYUDHWBXSA-N 1 0 300.399 1.882 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000229306786 407658886 /nfs/dbraw/zinc/65/88/86/407658886.db2.gz GFAVHBFEYDOYDL-WMLDXEAASA-N 1 0 302.422 1.066 50 0 DDAARO Cc1nc2ccc(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nn2n1 ZINC000225537752 407592098 /nfs/dbraw/zinc/59/20/98/407592098.db2.gz LAGFUJLHPOUIBI-TXEJJXNPSA-N 1 0 304.398 1.344 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000179016017 407691426 /nfs/dbraw/zinc/69/14/26/407691426.db2.gz PMMUVXBULXMVSL-MRXNPFEDSA-N 1 0 312.417 1.921 50 0 DDAARO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000229386929 407661575 /nfs/dbraw/zinc/66/15/75/407661575.db2.gz BESMJFTXKGOPCM-JYJNAYRXSA-N 1 0 307.438 1.424 50 0 DDAARO CC[C@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000229387034 407662480 /nfs/dbraw/zinc/66/24/80/407662480.db2.gz QJOUQANKOMOVKT-JKSUJKDBSA-N 1 0 323.412 1.395 50 0 DDAARO C[C@H]1CN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000153241828 407781728 /nfs/dbraw/zinc/78/17/28/407781728.db2.gz LOPNJTQHMHXZMI-STQMWFEESA-N 1 0 318.417 1.944 50 0 DDAARO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000240902772 407910061 /nfs/dbraw/zinc/91/00/61/407910061.db2.gz IVGZKAKJXRBRIA-SDADXPQNSA-N 1 0 311.470 1.916 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@@H](C)[NH2+]1 ZINC000153533263 407844146 /nfs/dbraw/zinc/84/41/46/407844146.db2.gz DDXRCHQCWMSGIT-NXEZZACHSA-N 1 0 303.337 1.490 50 0 DDAARO CC(=O)NC1CCC([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000133488573 407851641 /nfs/dbraw/zinc/85/16/41/407851641.db2.gz HYTAYWVTDSQEHO-NRXISQOPSA-N 1 0 319.453 1.753 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000154124962 407978830 /nfs/dbraw/zinc/97/88/30/407978830.db2.gz FEYNBMSCNWKAQA-AYRXBEOTSA-N 1 0 316.401 1.770 50 0 DDAARO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000262757901 407917292 /nfs/dbraw/zinc/91/72/92/407917292.db2.gz IKCMJBONOSZPTD-SNVBAGLBSA-N 1 0 304.799 1.379 50 0 DDAARO Cc1nnsc1CN(C)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244691003 407931913 /nfs/dbraw/zinc/93/19/13/407931913.db2.gz JAUQUHMKTWJAFX-DTORHVGOSA-N 1 0 306.395 1.093 50 0 DDAARO C[C@@H](C[N@H+](C)Cc1ccc2nsnc2c1)N1CCOCC1 ZINC000244723995 407935986 /nfs/dbraw/zinc/93/59/86/407935986.db2.gz MLQIHSGNDJGIDL-LBPRGKRZSA-N 1 0 306.435 1.844 50 0 DDAARO COc1cccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189563624 408053569 /nfs/dbraw/zinc/05/35/69/408053569.db2.gz BEAZILOEHYTPBE-UHFFFAOYSA-N 1 0 307.394 1.217 50 0 DDAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[nH]n1 ZINC000154224915 407999026 /nfs/dbraw/zinc/99/90/26/407999026.db2.gz FKUUBCHOHOWVDG-AOOOYVTPSA-N 1 0 316.409 1.249 50 0 DDAARO Cc1c(NC(=O)C(=O)N(C)CC[NH+](C)C)cccc1N(C)C ZINC000154813277 408089217 /nfs/dbraw/zinc/08/92/17/408089217.db2.gz GWQPSTMTFDVRNL-UHFFFAOYSA-N 1 0 306.410 1.020 50 0 DDAARO Cc1c([C@H](C)[NH2+]CC(C)(C)C(N)=O)cnn1-c1ccccn1 ZINC000183637428 408459325 /nfs/dbraw/zinc/45/93/25/408459325.db2.gz NEZKOGJRSAPJKV-NSHDSACASA-N 1 0 301.394 1.738 50 0 DDAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(=O)C1 ZINC000192228478 408561731 /nfs/dbraw/zinc/56/17/31/408561731.db2.gz FFWYTSWCMAGMPF-QGZVFWFLSA-N 1 0 316.401 1.373 50 0 DDAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCNc1ncccn1 ZINC000248142352 408538233 /nfs/dbraw/zinc/53/82/33/408538233.db2.gz QRNDCNRWGHUMOA-UONOGXRCSA-N 1 0 303.410 1.364 50 0 DDAARO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(Cl)cc1F ZINC000193350134 408713067 /nfs/dbraw/zinc/71/30/67/408713067.db2.gz HYBJTEUBRHQOEB-VIFPVBQESA-N 1 0 306.790 1.818 50 0 DDAARO CCN(C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C(C)C ZINC000162654224 408723897 /nfs/dbraw/zinc/72/38/97/408723897.db2.gz VVCPSCAJPHGVNM-AWEZNQCLSA-N 1 0 310.442 1.251 50 0 DDAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C ZINC000252666324 408807569 /nfs/dbraw/zinc/80/75/69/408807569.db2.gz 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410622222 /nfs/dbraw/zinc/62/22/22/410622222.db2.gz CSADGJGDALTKGL-ZDUSSCGKSA-N 1 0 309.385 1.960 50 0 DDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000299782156 410623393 /nfs/dbraw/zinc/62/33/93/410623393.db2.gz DKDUPQUHVKQJGR-ZDUSSCGKSA-N 1 0 307.394 1.178 50 0 DDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nncs1 ZINC000299793766 410636127 /nfs/dbraw/zinc/63/61/27/410636127.db2.gz KEAUCWBHLZBGGM-LLVKDONJSA-N 1 0 322.438 1.770 50 0 DDAARO Cc1nc2c(cnn2C)c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000044978588 418435772 /nfs/dbraw/zinc/43/57/72/418435772.db2.gz BGCXGBPXZGZTGE-UHFFFAOYSA-N 1 0 309.377 1.393 50 0 DDAARO CC(C)C[NH+]1CCN(CCn2c3ccccc3oc2=O)CC1 ZINC000045736062 418441869 /nfs/dbraw/zinc/44/18/69/418441869.db2.gz GVONMNBPAPAYQS-UHFFFAOYSA-N 1 0 303.406 1.868 50 0 DDAARO CCN(C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087369 418445834 /nfs/dbraw/zinc/44/58/34/418445834.db2.gz WEYGMJAATYFTLO-QAPCUYQASA-N 1 0 320.433 1.605 50 0 DDAARO CCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000107322818 418498634 /nfs/dbraw/zinc/49/86/34/418498634.db2.gz SBOATRUTMGIYEG-CABCVRRESA-N 1 0 307.442 1.149 50 0 DDAARO O=[S@@](CC[N@@H+]1CCCC[C@H]1Cn1cncn1)c1ccccc1 ZINC000257365766 418567450 /nfs/dbraw/zinc/56/74/50/418567450.db2.gz LTHBSYKGMPGDKO-NYHFZMIOSA-N 1 0 318.446 1.940 50 0 DDAARO CCn1cnnc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000240454679 222210932 /nfs/dbraw/zinc/21/09/32/222210932.db2.gz FYBCIBQYVVXDRT-OLZOCXBDSA-N 1 0 308.430 1.360 50 0 DDAARO CCCS(=O)(=O)N1CCC(C[N@@H+]2CCN(C)C[C@H]2C)CC1 ZINC000248009064 222233817 /nfs/dbraw/zinc/23/38/17/222233817.db2.gz DFFCOTYBPRERSJ-CQSZACIVSA-N 1 0 317.499 1.074 50 0 DDAARO CCOCc1ccc(CNC(=O)CN2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252511005 222245932 /nfs/dbraw/zinc/24/59/32/222245932.db2.gz CWJYVGMCPWGBEP-OAHLLOKOSA-N 1 0 319.449 1.475 50 0 DDAARO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000408524912 418808713 /nfs/dbraw/zinc/80/87/13/418808713.db2.gz 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ZINC000426641392 228592208 /nfs/dbraw/zinc/59/22/08/228592208.db2.gz QOPPFSXTNMVNPN-GFCCVEGCSA-N 1 0 312.364 1.608 50 0 DDAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)NCC[NH+](C)C ZINC000426701588 228596886 /nfs/dbraw/zinc/59/68/86/228596886.db2.gz JSKRRTRNBDEJRJ-UHFFFAOYSA-N 1 0 303.366 1.440 50 0 DDAARO COc1cc(CSc2nnc(CC[NH3+])n2C)cc(OC)c1 ZINC000426549054 419504612 /nfs/dbraw/zinc/50/46/12/419504612.db2.gz DUGPMEZKIBVHIF-UHFFFAOYSA-N 1 0 308.407 1.626 50 0 DDAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000299740207 229373877 /nfs/dbraw/zinc/37/38/77/229373877.db2.gz XATGJDRIAORTHI-BZUAXINKSA-N 1 0 310.438 1.691 50 0 DDAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000299749608 229394214 /nfs/dbraw/zinc/39/42/14/229394214.db2.gz KZFGUFJQBGWAKG-SQWLQELKSA-N 1 0 310.438 1.691 50 0 DDAARO COc1nccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)n1 ZINC000528645461 421502240 /nfs/dbraw/zinc/50/22/40/421502240.db2.gz NKYCXIQJGTWXII-AWEZNQCLSA-N 1 0 307.394 1.239 50 0 DDAARO CN(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)C2(C1)CCCCC2 ZINC000575557727 422301373 /nfs/dbraw/zinc/30/13/73/422301373.db2.gz IVLCGPUUSAZQIX-CYBMUJFWSA-N 1 0 303.472 1.237 50 0 DDAARO CN1CC[C@]([NH3+])(C(=O)Nc2cnc(-c3ccccc3)s2)C1 ZINC000649375559 423823160 /nfs/dbraw/zinc/82/31/60/423823160.db2.gz GJBFXMJZAKLNPF-OAHLLOKOSA-N 1 0 302.403 1.782 50 0 DDAARO O=C(c1cccc2c1OCC(=O)N2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343637054 271821220 /nfs/dbraw/zinc/82/12/20/271821220.db2.gz ZJFSFYVKXJXQDL-KRWDZBQOSA-N 1 0 315.373 1.233 50 0 DDAARO COCC[N@@H+]1CC[C@H](CN(C)c2ncc(F)c(N(C)C)n2)C1 ZINC000095366601 274033018 /nfs/dbraw/zinc/03/30/18/274033018.db2.gz ZRFHZHXSRPFLDG-GFCCVEGCSA-N 1 0 311.405 1.086 50 0 DDAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(-n2cncn2)cc1 ZINC000058299915 274251444 /nfs/dbraw/zinc/25/14/44/274251444.db2.gz DTIJMIOADGVCFX-KGLIPLIRSA-N 1 0 323.404 1.856 50 0 DDAARO Cn1nc(-c2nc([C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)c2ccccc21 ZINC000032603498 274900872 /nfs/dbraw/zinc/90/08/72/274900872.db2.gz JDNXGVYHHDMEDO-LLVKDONJSA-N 1 0 309.373 1.791 50 0 DDAARO CN(C)C(=O)CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082158459 276750345 /nfs/dbraw/zinc/75/03/45/276750345.db2.gz BDNGMTNNVADPMK-UHFFFAOYSA-N 1 0 316.405 1.364 50 0 DDAARO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058296094 276764525 /nfs/dbraw/zinc/76/45/25/276764525.db2.gz PBHCWQIBZUJFIH-IAGOWNOFSA-N 1 0 313.449 1.687 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1 ZINC000178978205 277028968 /nfs/dbraw/zinc/02/89/68/277028968.db2.gz HLLFEDHJEMAHIJ-QWRGUYRKSA-N 1 0 319.430 1.801 50 0 DDAARO CC(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000022685237 277039699 /nfs/dbraw/zinc/03/96/99/277039699.db2.gz CYZUBPGVFKPASD-BBRMVZONSA-N 1 0 303.406 1.464 50 0 DDAARO O=C(CCc1cccnc1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077505506 279757306 /nfs/dbraw/zinc/75/73/06/279757306.db2.gz XHAFOWONBKBKPI-SFHVURJKSA-N 1 0 317.433 1.464 50 0 DDAARO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000096477055 279997115 /nfs/dbraw/zinc/99/71/15/279997115.db2.gz AJQOSSOMISBJJF-LLVKDONJSA-N 1 0 302.415 1.977 50 0 DDAARO OCCOc1ccccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC000097772681 280408714 /nfs/dbraw/zinc/40/87/14/280408714.db2.gz AKAWKFJYFYAVEZ-OAHLLOKOSA-N 1 0 307.390 1.174 50 0 DDAARO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)C2=O)cn1 ZINC000230154941 294248543 /nfs/dbraw/zinc/24/85/43/294248543.db2.gz BAQNKUUHKYQDFY-FZKCQIBNSA-N 1 0 318.421 1.463 50 0 DDAARO Cc1cnc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)o1 ZINC000253431436 333771821 /nfs/dbraw/zinc/77/18/21/333771821.db2.gz HCLNYOMZOZJHNK-UHFFFAOYSA-N 1 0 307.394 1.634 50 0 DDAARO Cc1cnn(CC(=O)NC[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000534579044 334288737 /nfs/dbraw/zinc/28/87/37/334288737.db2.gz RFNDEDDLTKACNF-MRXNPFEDSA-N 1 0 300.406 1.919 50 0 DDAARO C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12)n1cnc2ccccc21 ZINC000534584758 334291609 /nfs/dbraw/zinc/29/16/09/334291609.db2.gz VSEVQLVMMJOORP-QUEVPRLRSA-N 1 0 310.401 1.806 50 0 DDAARO Cc1[nH][nH]c(=O)c1CC(=O)NC[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000534645354 334306926 /nfs/dbraw/zinc/30/69/26/334306926.db2.gz AKMJFXRQQYFRLV-HNNXBMFYSA-N 1 0 316.405 1.694 50 0 DDAARO CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1cnc2c(C)cccn12 ZINC000534636302 334309288 /nfs/dbraw/zinc/30/92/88/334309288.db2.gz HJLZRRQPFGYKQK-LBPRGKRZSA-N 1 0 310.423 1.060 50 0 DDAARO C[C@H](C(=O)NCc1csc(-c2cnccn2)n1)[NH+]1CCCC1 ZINC000534640935 334311028 /nfs/dbraw/zinc/31/10/28/334311028.db2.gz DQUZPNBLKIIFNP-LLVKDONJSA-N 1 0 317.418 1.701 50 0 DDAARO Cc1ccc([C@@H](C)NC(=O)CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534655276 334313696 /nfs/dbraw/zinc/31/36/96/334313696.db2.gz UDRNJKDBALJMJV-LHKMKVQPSA-N 1 0 313.445 1.854 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(-c2ccnn2C)nn1 ZINC000585092555 483920007 /nfs/dbraw/zinc/92/00/07/483920007.db2.gz DRIGMUYXCNCXHX-CYBMUJFWSA-N 1 0 300.410 2.163 50 0 DDAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000084697513 483998835 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O=C1CCCN1C[C@@H](O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000071841231 184865254 /nfs/dbraw/zinc/86/52/54/184865254.db2.gz XCEKOUXOICIETC-HNNXBMFYSA-N 1 0 314.389 1.150 50 0 DDAARO C[N@@H+]1CCCN(CC(=O)NCc2ccc3c(c2)CCCO3)CC1 ZINC000223190474 407565118 /nfs/dbraw/zinc/56/51/18/407565118.db2.gz WDELCXOLPOWRAH-UHFFFAOYSA-N 1 0 317.433 1.265 50 0 DDAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(N)=O ZINC000002648415 406692889 /nfs/dbraw/zinc/69/28/89/406692889.db2.gz GKBAGKCPRDOJPJ-UHFFFAOYSA-N 1 0 300.358 1.849 50 0 DDAARO Cn1nc(C(=O)NCCC[NH+](C)C)c(Cl)c1C(F)(F)F ZINC000002778169 406698907 /nfs/dbraw/zinc/69/89/07/406698907.db2.gz QRYNQXSMNLNUCI-UHFFFAOYSA-N 1 0 312.723 1.774 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2C)C1 ZINC000068493760 406647830 /nfs/dbraw/zinc/64/78/30/406647830.db2.gz IXFPTOQMTOVYRF-OAHLLOKOSA-N 1 0 306.406 1.458 50 0 DDAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000006881770 406742326 /nfs/dbraw/zinc/74/23/26/406742326.db2.gz MITYVVHGAMDZJY-LSDHHAIUSA-N 1 0 323.389 1.406 50 0 DDAARO OCC[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000006937432 406744488 /nfs/dbraw/zinc/74/44/88/406744488.db2.gz LUSDNFWGFGFZPO-KRWDZBQOSA-N 1 0 301.386 1.735 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000069624344 406746392 /nfs/dbraw/zinc/74/63/92/406746392.db2.gz RAHAKEVMJIMTSN-ZDUSSCGKSA-N 1 0 308.426 1.472 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000069652368 406749447 /nfs/dbraw/zinc/74/94/47/406749447.db2.gz BLTODHFLNNVYSP-HNNXBMFYSA-N 1 0 320.437 1.045 50 0 DDAARO COCCCOc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cn1 ZINC000069484487 406719571 /nfs/dbraw/zinc/71/95/71/406719571.db2.gz XFNHYFLPHVEMAH-UHFFFAOYSA-N 1 0 323.437 1.957 50 0 DDAARO C[C@H]1C[N@H+](CCc2ccncc2)CCN1c1ccc2nncn2n1 ZINC000069484810 406720940 /nfs/dbraw/zinc/72/09/40/406720940.db2.gz RWMCFTKKJPGFCK-AWEZNQCLSA-N 1 0 323.404 1.273 50 0 DDAARO Clc1cc(C[NH2+][C@H]2CCc3ncnn3C2)cc2c1OCO2 ZINC000069843639 406778595 /nfs/dbraw/zinc/77/85/95/406778595.db2.gz 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ZINC000011945515 406833430 /nfs/dbraw/zinc/83/34/30/406833430.db2.gz UZEZYEBAYSSXGE-UHFFFAOYSA-N 1 0 321.417 1.875 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071144686 406833737 /nfs/dbraw/zinc/83/37/37/406833737.db2.gz HIGWAZHVMBGBDM-SNVBAGLBSA-N 1 0 322.352 1.935 50 0 DDAARO CCNC(=O)[C@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)C1 ZINC000071314984 406837304 /nfs/dbraw/zinc/83/73/04/406837304.db2.gz JNCUQRUOMQPPII-AWEZNQCLSA-N 1 0 313.401 1.795 50 0 DDAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000071819597 406846232 /nfs/dbraw/zinc/84/62/32/406846232.db2.gz VSXJKGIFISEDKY-LBPRGKRZSA-N 1 0 301.394 1.628 50 0 DDAARO Cc1ncsc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000071821641 406846544 /nfs/dbraw/zinc/84/65/44/406846544.db2.gz CMMGGODRESZRRR-NSHDSACASA-N 1 0 309.435 1.777 50 0 DDAARO Cc1nn(C)c2nc(C)cc(C(=O)N3CCC([NH+](C)C)CC3)c12 ZINC000071824104 406847693 /nfs/dbraw/zinc/84/76/93/406847693.db2.gz WYKSTEGSKPHGKX-UHFFFAOYSA-N 1 0 315.421 1.751 50 0 DDAARO O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839866 406851406 /nfs/dbraw/zinc/85/14/06/406851406.db2.gz RLLXCHQODWFMDM-UKRRQHHQSA-N 1 0 313.401 1.809 50 0 DDAARO O=[S@](CC[N@@H+]1CCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000071875156 406857446 /nfs/dbraw/zinc/85/74/46/406857446.db2.gz NOTCTDFMFVOOMQ-SZNDQCEHSA-N 1 0 304.419 1.550 50 0 DDAARO COC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000071889000 406862456 /nfs/dbraw/zinc/86/24/56/406862456.db2.gz ZRPOVJQCCKSXRN-GFCCVEGCSA-N 1 0 302.374 1.687 50 0 DDAARO Cc1cc(C)c(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)c1 ZINC000071897709 406863838 /nfs/dbraw/zinc/86/38/38/406863838.db2.gz SQFBZNGPDRJZFS-INIZCTEOSA-N 1 0 318.465 1.657 50 0 DDAARO O=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071920343 406867734 /nfs/dbraw/zinc/86/77/34/406867734.db2.gz CUFKFPWVLRTUEZ-SECBINFHSA-N 1 0 309.316 1.256 50 0 DDAARO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)C1CCCCC1 ZINC000071920984 406867806 /nfs/dbraw/zinc/86/78/06/406867806.db2.gz 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/nfs/dbraw/zinc/88/58/20/406885820.db2.gz AJDALWGYJXXLSW-UHFFFAOYSA-N 1 0 322.405 1.546 50 0 DDAARO COc1ccc(-c2noc(C(=O)NCC[NH+](C)C)n2)cc1OC ZINC000012391227 406843606 /nfs/dbraw/zinc/84/36/06/406843606.db2.gz WFPFDXJTGVDKQP-UHFFFAOYSA-N 1 0 320.349 1.045 50 0 DDAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000012386406 406844399 /nfs/dbraw/zinc/84/43/99/406844399.db2.gz KCAUPDUTTCBSNC-QGZVFWFLSA-N 1 0 306.406 1.831 50 0 DDAARO C[C@@H](CNC(=O)c1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000075122171 406922937 /nfs/dbraw/zinc/92/29/37/406922937.db2.gz HZNJDVLLAJFJKR-LBPRGKRZSA-N 1 0 311.376 1.578 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000075132692 406923710 /nfs/dbraw/zinc/92/37/10/406923710.db2.gz PHGPQYDDBHUXLR-BXUZGUMPSA-N 1 0 306.797 1.878 50 0 DDAARO Cc1nc(CN(C)[C@H]2CC[N@H+](Cc3cnc(C)s3)C2)no1 ZINC000076047343 406951909 /nfs/dbraw/zinc/95/19/09/406951909.db2.gz VUXBITMDZCTWQQ-LBPRGKRZSA-N 1 0 307.423 1.849 50 0 DDAARO C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H]1[NH+](C)C ZINC000076050419 406951935 /nfs/dbraw/zinc/95/19/35/406951935.db2.gz MGOSJDPRFXJCKI-DGCLKSJQSA-N 1 0 306.410 1.678 50 0 DDAARO NC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000076206014 406958266 /nfs/dbraw/zinc/95/82/66/406958266.db2.gz FEIJSRQGVFQMFL-OAHLLOKOSA-N 1 0 322.453 1.158 50 0 DDAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]c1 ZINC000033026968 406958812 /nfs/dbraw/zinc/95/88/12/406958812.db2.gz PTZVMNOAFTVQAI-UHFFFAOYSA-N 1 0 311.385 1.769 50 0 DDAARO COc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077428395 406990133 /nfs/dbraw/zinc/99/01/33/406990133.db2.gz CPNFOLKXAKUIIL-MRXNPFEDSA-N 1 0 308.378 1.351 50 0 DDAARO CO[C@H](C)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000077441802 406991217 /nfs/dbraw/zinc/99/12/17/406991217.db2.gz GIJWEXYUNJAFKF-CJNGLKHVSA-N 1 0 320.437 1.761 50 0 DDAARO CCCn1ccnc1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077506080 406993826 /nfs/dbraw/zinc/99/38/26/406993826.db2.gz SSFMITTWLIBXAW-QGZVFWFLSA-N 1 0 306.454 1.716 50 0 DDAARO OCC1([NH2+]Cc2cnc(-c3ccccn3)s2)CCOCC1 ZINC000084662926 407091889 /nfs/dbraw/zinc/09/18/89/407091889.db2.gz HWLVWVRBPKSTOC-UHFFFAOYSA-N 1 0 305.403 1.836 50 0 DDAARO Cc1ccccc1CCC[N@@H+](C)CC(=O)N1CCC(O)CC1 ZINC000085948353 407107539 /nfs/dbraw/zinc/10/75/39/407107539.db2.gz RSAGMKROKFIGKD-UHFFFAOYSA-N 1 0 304.434 1.843 50 0 DDAARO CS(=O)(=O)CCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000079311591 407052946 /nfs/dbraw/zinc/05/29/46/407052946.db2.gz IEASLIRNUWSAGC-INIZCTEOSA-N 1 0 311.447 1.793 50 0 DDAARO Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000046952410 407067328 /nfs/dbraw/zinc/06/73/28/407067328.db2.gz QHFFNWNAKHZLNP-QWHCGFSZSA-N 1 0 306.454 1.816 50 0 DDAARO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000046998186 407068365 /nfs/dbraw/zinc/06/83/65/407068365.db2.gz BESMJFTXKGOPCM-OAGGEKHMSA-N 1 0 307.438 1.424 50 0 DDAARO CCOc1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1OC ZINC000089267898 407128741 /nfs/dbraw/zinc/12/87/41/407128741.db2.gz FDKJQJGPJQBPPC-UHFFFAOYSA-N 1 0 322.449 1.982 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](Nc2ccc3nnc(C4CC4)n3n2)C1 ZINC000089414549 407133754 /nfs/dbraw/zinc/13/37/54/407133754.db2.gz YJQOWZPXNJECAB-CYBMUJFWSA-N 1 0 316.409 1.524 50 0 DDAARO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)ccc1Br ZINC000052093358 407147050 /nfs/dbraw/zinc/14/70/50/407147050.db2.gz NCLCTLLWVJRQLE-VIFPVBQESA-N 1 0 319.224 1.398 50 0 DDAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)no1 ZINC000095354434 407207814 /nfs/dbraw/zinc/20/78/14/407207814.db2.gz QMUDSGIZGVSGMH-DZGCQCFKSA-N 1 0 319.405 1.698 50 0 DDAARO NC(=O)CN1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000095350776 407208306 /nfs/dbraw/zinc/20/83/06/407208306.db2.gz NPLUERGSNSNONP-KRWDZBQOSA-N 1 0 301.434 1.993 50 0 DDAARO c1nc(C2CC2)cc(N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000095372476 407210529 /nfs/dbraw/zinc/21/05/29/407210529.db2.gz SAZZUJSWNQKOFA-UHFFFAOYSA-N 1 0 301.438 1.572 50 0 DDAARO Nc1nc(NCc2nnc3n2CCCCC3)c2c([nH+]1)CCCC2 ZINC000095374725 407210569 /nfs/dbraw/zinc/21/05/69/407210569.db2.gz KFBILAVYNOSLJC-UHFFFAOYSA-N 1 0 313.409 1.868 50 0 DDAARO O=C(NCCN1CCOCC1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057893440 407218439 /nfs/dbraw/zinc/21/84/39/407218439.db2.gz XEQHZIZXGSHTHG-KRWDZBQOSA-N 1 0 317.433 1.272 50 0 DDAARO COc1ccc(CN2CC[NH+]=C2N2CCOCC2)cc1OC ZINC000096027814 407224556 /nfs/dbraw/zinc/22/45/56/407224556.db2.gz ZOXGPOVXDWJWCG-UHFFFAOYSA-N 1 0 305.378 1.208 50 0 DDAARO CCc1nnc(-c2nnc(N3CC[NH+](C)CC3)c3ccccc32)o1 ZINC000065258165 407241308 /nfs/dbraw/zinc/24/13/08/407241308.db2.gz PKDRBFQQLSMAHN-UHFFFAOYSA-N 1 0 324.388 1.994 50 0 DDAARO CS[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000065604596 407245457 /nfs/dbraw/zinc/24/54/57/407245457.db2.gz HZLBKBXZEAWCAN-GFCCVEGCSA-N 1 0 308.451 1.201 50 0 DDAARO O=S(=O)(C1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000096428575 407265029 /nfs/dbraw/zinc/26/50/29/407265029.db2.gz PMRFKBDAXNLJIG-CQSZACIVSA-N 1 0 316.467 1.303 50 0 DDAARO CN(CCc1cccs1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096439872 407266853 /nfs/dbraw/zinc/26/68/53/407266853.db2.gz QGOGMJAKTDUANN-KGLIPLIRSA-N 1 0 323.462 1.795 50 0 DDAARO CC[NH+]1CCN(CCC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000096450833 407267927 /nfs/dbraw/zinc/26/79/27/407267927.db2.gz GONVAKBYPLUFMD-DOTOQJQBSA-N 1 0 311.470 1.071 50 0 DDAARO CC[NH+]1CCN(CCC(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000096450832 407268425 /nfs/dbraw/zinc/26/84/25/407268425.db2.gz GONVAKBYPLUFMD-RDJZCZTQSA-N 1 0 311.470 1.071 50 0 DDAARO Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000096475112 407270676 /nfs/dbraw/zinc/27/06/76/407270676.db2.gz WXONWYZPPDMVQR-CABCVRRESA-N 1 0 306.406 1.193 50 0 DDAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H](O)c1ccccc1Cl ZINC000096487016 407271861 /nfs/dbraw/zinc/27/18/61/407271861.db2.gz UBYDZKZYHLVVRW-LALPHHSUSA-N 1 0 324.808 1.353 50 0 DDAARO [NH3+][C@H]1CN[C@H](C(=O)N(CCc2ccccc2)Cc2ccco2)C1 ZINC000067473129 407275177 /nfs/dbraw/zinc/27/51/77/407275177.db2.gz AZJYHSPNKMMBFS-WBVHZDCISA-N 1 0 313.401 1.540 50 0 DDAARO CCS(=O)(=O)NCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000097034481 407276313 /nfs/dbraw/zinc/27/63/13/407276313.db2.gz SFMUYFKNMBJQIL-XQQFMLRXSA-N 1 0 304.456 1.109 50 0 DDAARO C[C@@H]1CC([NH2+]CCS(=O)(=O)NCC2CCC2)C[C@@H](C)O1 ZINC000097034845 407276392 /nfs/dbraw/zinc/27/63/92/407276392.db2.gz IWMWDJMDAIADPJ-VXGBXAGGSA-N 1 0 304.456 1.252 50 0 DDAARO COC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000097146453 407282984 /nfs/dbraw/zinc/28/29/84/407282984.db2.gz ANTXUCAXIMRBGB-CYBMUJFWSA-N 1 0 308.422 1.853 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCc1ccccc1 ZINC000067758272 407283167 /nfs/dbraw/zinc/28/31/67/407283167.db2.gz HCJQQJIUTPBVRY-CVEARBPZSA-N 1 0 317.433 1.462 50 0 DDAARO Cc1ncsc1CC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000067771386 407283245 /nfs/dbraw/zinc/28/32/45/407283245.db2.gz VRAJQYCVSPGTMH-UHFFFAOYSA-N 1 0 317.480 1.350 50 0 DDAARO O[C@@H](CNCc1c[nH]nc1-c1cccnc1)C[NH+]1CCCCC1 ZINC000097160064 407283661 /nfs/dbraw/zinc/28/36/61/407283661.db2.gz MWZSQZAKNHIIMU-INIZCTEOSA-N 1 0 315.421 1.408 50 0 DDAARO Cc1ccc(-c2n[nH]cc2CNC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000097160062 407283872 /nfs/dbraw/zinc/28/38/72/407283872.db2.gz AXHKKCHQLDXYMR-HNNXBMFYSA-N 1 0 318.421 1.915 50 0 DDAARO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)C1(C)C ZINC000097212713 407288555 /nfs/dbraw/zinc/28/85/55/407288555.db2.gz XJJCOSZJNMIIAZ-IIYDPXPESA-N 1 0 320.437 1.709 50 0 DDAARO C[C@@H](NC(=O)CCC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000097229677 407288811 /nfs/dbraw/zinc/28/88/11/407288811.db2.gz GXWXLXLMQLFVSO-OAHLLOKOSA-N 1 0 317.433 1.808 50 0 DDAARO C[NH+]1CCC2(CCN(C(=O)c3cncs3)C[C@@H]2CO)CC1 ZINC000097551248 407298894 /nfs/dbraw/zinc/29/88/94/407298894.db2.gz RNNPSASLIAOVLL-GFCCVEGCSA-N 1 0 309.435 1.310 50 0 DDAARO CCCNC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000097532728 407299442 /nfs/dbraw/zinc/29/94/42/407299442.db2.gz ORBFAXMQFTYQIZ-LLVKDONJSA-N 1 0 324.812 1.963 50 0 DDAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(c3ncc[nH]c3=O)CC1)=CC2 ZINC000097551401 407299484 /nfs/dbraw/zinc/29/94/84/407299484.db2.gz YGCNLNJAMYMUEA-GJZGRUSLSA-N 1 0 314.433 1.884 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccc(F)cc2)C1 ZINC000097742977 407302411 /nfs/dbraw/zinc/30/24/11/407302411.db2.gz YZYFYFONHPXBMQ-AWEZNQCLSA-N 1 0 321.396 1.072 50 0 DDAARO COc1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000098055882 407304798 /nfs/dbraw/zinc/30/47/98/407304798.db2.gz JHDALDRUUNKDSF-SZZPACECSA-N 1 0 304.390 1.880 50 0 DDAARO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)c(C)n1-c1nccs1 ZINC000126114073 407405472 /nfs/dbraw/zinc/40/54/72/407405472.db2.gz WYQOECJDYZASBA-NSHDSACASA-N 1 0 304.419 1.985 50 0 DDAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cccc(OCC(N)=O)c1 ZINC000215465640 407482422 /nfs/dbraw/zinc/48/24/22/407482422.db2.gz ZVQNUEHMNCJOIW-UHFFFAOYSA-N 1 0 316.405 1.565 50 0 DDAARO COc1cccc(C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)n1 ZINC000257188297 407483397 /nfs/dbraw/zinc/48/33/97/407483397.db2.gz FDSJPDVVMMYFMU-MRXNPFEDSA-N 1 0 306.406 1.986 50 0 DDAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000215471265 407484223 /nfs/dbraw/zinc/48/42/23/407484223.db2.gz ORKKKCYHNKCGCZ-CQSZACIVSA-N 1 0 324.446 1.227 50 0 DDAARO Cn1c2ccccc2cc(C[N@@H+]2CCC[C@@](O)(CO)CC2)c1=O ZINC000215494577 407484626 /nfs/dbraw/zinc/48/46/26/407484626.db2.gz QXBIGJGLLDSXBI-SFHVURJKSA-N 1 0 316.401 1.248 50 0 DDAARO Cc1cc(C[N@@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)n(C)n1 ZINC000257188753 407484627 /nfs/dbraw/zinc/48/46/27/407484627.db2.gz NAXFZOONCLGCTP-GXTWGEPZSA-N 1 0 317.393 1.197 50 0 DDAARO Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CC[C@H](C[NH3+])C3)C2=O)c1 ZINC000178561613 407493375 /nfs/dbraw/zinc/49/33/75/407493375.db2.gz WIYZPUSEQUNDHM-ZBFHGGJFSA-N 1 0 315.417 1.464 50 0 DDAARO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCCOc1ccc(F)cc1 ZINC000170603288 407448107 /nfs/dbraw/zinc/44/81/07/407448107.db2.gz NRUUDXNOVGILFC-KRWDZBQOSA-N 1 0 324.396 1.558 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@H]2Cn2cccn2)CC1 ZINC000253478289 407452381 /nfs/dbraw/zinc/45/23/81/407452381.db2.gz KFHDYWIXQGXDGE-DLBZAZTESA-N 1 0 306.454 1.440 50 0 DDAARO Nc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000220614546 407543586 /nfs/dbraw/zinc/54/35/86/407543586.db2.gz HDILGLLTEOYTIR-UHFFFAOYSA-N 1 0 304.394 1.037 50 0 DDAARO O=C(NCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)F ZINC000221300137 407546361 /nfs/dbraw/zinc/54/63/61/407546361.db2.gz YYGXVDWNFLDKLP-UHFFFAOYSA-N 1 0 314.332 1.475 50 0 DDAARO COC[C@]1(C(=O)NCc2ccccc2-n2cccn2)CC[NH2+]C1 ZINC000261841589 407638292 /nfs/dbraw/zinc/63/82/92/407638292.db2.gz IUPPXOXLHBLICD-KRWDZBQOSA-N 1 0 314.389 1.115 50 0 DDAARO O=C1[C@@H](N2CCC[C@@H](c3cc[nH]n3)C2)CCN1CC(F)(F)F ZINC000229647481 407667520 /nfs/dbraw/zinc/66/75/20/407667520.db2.gz GTWBYGOQQCWMIM-PWSUYJOCSA-N 1 0 316.327 1.752 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cccc3cnccc32)[C@@H]1C[NH3+] ZINC000261914025 407669614 /nfs/dbraw/zinc/66/96/14/407669614.db2.gz GOXTXSVADUTWBA-IUODEOHRSA-N 1 0 319.430 1.983 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](C)N1C[C@H](C)O[C@@H](C)C1 ZINC000229762600 407671923 /nfs/dbraw/zinc/67/19/23/407671923.db2.gz WIQMKCXRZFXYNH-IHRRRGAJSA-N 1 0 323.485 1.382 50 0 DDAARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000178970268 407677818 /nfs/dbraw/zinc/67/78/18/407677818.db2.gz SFUUNDPFYDMQQR-CQSZACIVSA-N 1 0 304.456 1.349 50 0 DDAARO O=C1c2ccccc2C(=O)N1CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000230117046 407681550 /nfs/dbraw/zinc/68/15/50/407681550.db2.gz UAIFKPMDJQDARL-HZPDHXFCSA-N 1 0 314.385 1.926 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000230178061 407681951 /nfs/dbraw/zinc/68/19/51/407681951.db2.gz NNFAUCVDXAFOFN-CHWSQXEVSA-N 1 0 309.410 1.350 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000179014781 407691099 /nfs/dbraw/zinc/69/10/99/407691099.db2.gz XEBWURLAUSXSNI-CQSZACIVSA-N 1 0 303.406 1.205 50 0 DDAARO CCOc1cc(/C=C/C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1OC ZINC000179097386 407721472 /nfs/dbraw/zinc/72/14/72/407721472.db2.gz NVSRIDDFAPRHRO-OWNNVSBGSA-N 1 0 304.390 1.927 50 0 DDAARO Cc1nc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cn1C ZINC000133530191 407857829 /nfs/dbraw/zinc/85/78/29/407857829.db2.gz JYQXWXIPFFSTKR-UHFFFAOYSA-N 1 0 314.455 1.319 50 0 DDAARO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc(OC)c1 ZINC000180229336 407865443 /nfs/dbraw/zinc/86/54/43/407865443.db2.gz JUMZELKSQGQWRT-KSSFIOAISA-N 1 0 320.433 1.856 50 0 DDAARO CC(C)(C)c1ccc(S(=O)(=O)CCNC2=[NH+]CCCN2)cc1 ZINC000241644547 407912491 /nfs/dbraw/zinc/91/24/91/407912491.db2.gz PRQQHZSSSHKIHB-UHFFFAOYSA-N 1 0 323.462 1.697 50 0 DDAARO Cc1nc(CCNC(=O)C[C@@H]2CN(C)CC[N@@H+]2C)sc1C ZINC000243893199 407920575 /nfs/dbraw/zinc/92/05/75/407920575.db2.gz APHCVNQMYPINHS-CYBMUJFWSA-N 1 0 310.467 1.055 50 0 DDAARO O=C(NCc1ccco1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244690908 407932799 /nfs/dbraw/zinc/93/27/99/407932799.db2.gz IZGKOLSBBJDUIB-YDHLFZDLSA-N 1 0 307.394 1.218 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)COC[C@@H]1CCCCO1 ZINC000244858391 407941058 /nfs/dbraw/zinc/94/10/58/407941058.db2.gz VKGVFXWTMHSNRR-AWEZNQCLSA-N 1 0 307.394 1.504 50 0 DDAARO NC(=O)NCC(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000244873154 407941087 /nfs/dbraw/zinc/94/10/87/407941087.db2.gz WKXZDBNDQBECFF-CQSZACIVSA-N 1 0 322.384 1.137 50 0 DDAARO Cc1cccc(CCNC(=O)CC[C@H](C)[NH+]2CCOCC2)n1 ZINC000244900036 407943522 /nfs/dbraw/zinc/94/35/22/407943522.db2.gz ZUYJYDKMOYCCPL-HNNXBMFYSA-N 1 0 305.422 1.550 50 0 DDAARO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000174988994 408023578 /nfs/dbraw/zinc/02/35/78/408023578.db2.gz MWLOTIZTTLKZGC-UHFFFAOYSA-N 1 0 314.389 1.500 50 0 DDAARO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc(OC)c1 ZINC000245730918 408053527 /nfs/dbraw/zinc/05/35/27/408053527.db2.gz JUMZELKSQGQWRT-RDTXWAMCSA-N 1 0 320.433 1.856 50 0 DDAARO C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)n[nH]1 ZINC000192271378 408566553 /nfs/dbraw/zinc/56/65/53/408566553.db2.gz JPFLGWTVCPSQEG-QWRGUYRKSA-N 1 0 317.397 1.935 50 0 DDAARO Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n(C)n1 ZINC000252491658 408797938 /nfs/dbraw/zinc/79/79/38/408797938.db2.gz LPQJNLQIRTVFJP-OAHLLOKOSA-N 1 0 319.453 1.792 50 0 DDAARO FC(F)(F)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)n2ncnc2n1 ZINC000249726346 408758976 /nfs/dbraw/zinc/75/89/76/408758976.db2.gz QESOXJIZPDFRBW-VIFPVBQESA-N 1 0 312.299 1.428 50 0 DDAARO CCn1cc(C[N@H+]2C[C@@H](c3ccncc3)[C@H](CO)C2)c(C)n1 ZINC000253396941 408813940 /nfs/dbraw/zinc/81/39/40/408813940.db2.gz BIFWTOFNJWPVAM-IRXDYDNUSA-N 1 0 300.406 1.814 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000299757763 410606924 /nfs/dbraw/zinc/60/69/24/410606924.db2.gz JLBWGRJOAIVFRE-ZDUSSCGKSA-N 1 0 321.421 1.609 50 0 DDAARO Nc1cc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)ncn1 ZINC000299762264 410612454 /nfs/dbraw/zinc/61/24/54/410612454.db2.gz SVMDNRSCDAENBW-OAHLLOKOSA-N 1 0 323.400 1.646 50 0 DDAARO Cn1ncc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1C1CC1 ZINC000299796049 410635236 /nfs/dbraw/zinc/63/52/36/410635236.db2.gz MPJDSGXGJBSMQR-GJZGRUSLSA-N 1 0 314.393 1.235 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)C2=Cc3cc(OC)ccc3OC2)C1 ZINC000133323683 196329066 /nfs/dbraw/zinc/32/90/66/196329066.db2.gz MFPIRDIRWOVEDR-CQSZACIVSA-N 1 0 302.374 1.681 50 0 DDAARO CS[C@@H](C)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000048227564 418466965 /nfs/dbraw/zinc/46/69/65/418466965.db2.gz RQGSXBFNQPLDRR-AWEZNQCLSA-N 1 0 321.490 1.802 50 0 DDAARO CC(=O)N1CCC(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000046882208 418450918 /nfs/dbraw/zinc/45/09/18/418450918.db2.gz PDUKHBXFDONMEP-KBPBESRZSA-N 1 0 309.454 1.339 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000178998356 221887866 /nfs/dbraw/zinc/88/78/66/221887866.db2.gz RSESLZHNLJWQMH-OAHLLOKOSA-N 1 0 306.454 1.766 50 0 DDAARO Cc1nnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn12 ZINC000065553624 418487043 /nfs/dbraw/zinc/48/70/43/418487043.db2.gz FJPYTCNTKZNDQC-UHFFFAOYSA-N 1 0 308.389 1.755 50 0 DDAARO COc1ccc([C@@H](O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000222973874 418562942 /nfs/dbraw/zinc/56/29/42/418562942.db2.gz TWJOLLNSRLNHBW-OAHLLOKOSA-N 1 0 304.390 1.331 50 0 DDAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1occc1C ZINC000241884896 222211709 /nfs/dbraw/zinc/21/17/09/222211709.db2.gz SYPGGMLTQUPCDB-QWHCGFSZSA-N 1 0 300.424 1.738 50 0 DDAARO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000408521813 418807871 /nfs/dbraw/zinc/80/78/71/418807871.db2.gz KDKFJDJKNJRHGD-HUUCEWRRSA-N 1 0 309.454 1.720 50 0 DDAARO CO[C@]12CC[N@H+](Cc3cc(C)no3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426477433 419482444 /nfs/dbraw/zinc/48/24/44/419482444.db2.gz RIEBDRHABFGMAA-CWRNSKLLSA-N 1 0 310.394 1.504 50 0 DDAARO C[C@@H](CCC(=O)NCc1cnc2cnccn12)[NH+]1CCCC1 ZINC000426491039 419488300 /nfs/dbraw/zinc/48/83/00/419488300.db2.gz KVQCLNLWAHMTLC-ZDUSSCGKSA-N 1 0 301.394 1.610 50 0 DDAARO Cc1cc(=O)c(C(=O)N2CCC[C@@H](CC[NH+](C)C)C2)cn1C ZINC000426398970 419456075 /nfs/dbraw/zinc/45/60/75/419456075.db2.gz DCALUPSETAJWEL-AWEZNQCLSA-N 1 0 305.422 1.498 50 0 DDAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3cnc(N)nc3)c2)C1 ZINC000426404397 419459560 /nfs/dbraw/zinc/45/95/60/419459560.db2.gz VDBFOGJWCXBJLA-HNNXBMFYSA-N 1 0 311.389 1.502 50 0 DDAARO COCc1nc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)no1 ZINC000426438924 419473624 /nfs/dbraw/zinc/47/36/24/419473624.db2.gz SAVFJEOWGCGMSN-SECBINFHSA-N 1 0 324.410 1.104 50 0 DDAARO CC[C@H](NC(=O)c1cccc(OCC[NH3+])c1)c1nc(C)c[nH]1 ZINC000426438766 419473967 /nfs/dbraw/zinc/47/39/67/419473967.db2.gz DLHDGSMNXMXIEQ-AWEZNQCLSA-N 1 0 302.378 1.937 50 0 DDAARO CC(C)(C(=O)N1CC[C@@](O)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000426707340 419535748 /nfs/dbraw/zinc/53/57/48/419535748.db2.gz DDISIUOIIITDQI-SFHVURJKSA-N 1 0 302.418 1.981 50 0 DDAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(CO)CO)C3)C2)c1 ZINC000426726971 419539675 /nfs/dbraw/zinc/53/96/75/419539675.db2.gz XBQBULMGYHRQRC-IBGZPJMESA-N 1 0 318.461 1.636 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c2cnn(C)c2n1 ZINC000299740184 229373546 /nfs/dbraw/zinc/37/35/46/229373546.db2.gz WRHCWXVYKWPRBN-VXGBXAGGSA-N 1 0 301.394 1.476 50 0 DDAARO Cc1nc(N)sc1CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000584897571 422303230 /nfs/dbraw/zinc/30/32/30/422303230.db2.gz AHHGSIOHEMOEOD-LBPRGKRZSA-N 1 0 308.451 1.663 50 0 DDAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1(CO)CC1 ZINC000585113581 422304962 /nfs/dbraw/zinc/30/49/62/422304962.db2.gz AVANVIKJZOWVFR-HOCLYGCPSA-N 1 0 317.433 1.571 50 0 DDAARO Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000585114946 422305065 /nfs/dbraw/zinc/30/50/65/422305065.db2.gz GIWISTNXIIENKS-SNVBAGLBSA-N 1 0 303.428 1.094 50 0 DDAARO CCCc1cncnc1N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000096164322 276056367 /nfs/dbraw/zinc/05/63/67/276056367.db2.gz LAZRDLXIFGNRAW-HOCLYGCPSA-N 1 0 321.444 1.688 50 0 DDAARO CC(C)(C)[NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000023697481 277172228 /nfs/dbraw/zinc/17/22/28/277172228.db2.gz NILMHEMXXYLGCU-CQSZACIVSA-N 1 0 324.446 1.595 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000069628096 277254078 /nfs/dbraw/zinc/25/40/78/277254078.db2.gz IHASCZKAEVTZBV-DLBZAZTESA-N 1 0 324.440 1.884 50 0 DDAARO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262382952 279129112 /nfs/dbraw/zinc/12/91/12/279129112.db2.gz NEQATIOSBVCZSB-PWSUYJOCSA-N 1 0 310.344 1.789 50 0 DDAARO Cc1c(CC(=O)N2CCCC[C@H]2C[NH3+])nnn1-c1ccccc1 ZINC000269186815 280224675 /nfs/dbraw/zinc/22/46/75/280224675.db2.gz JNXORSJOIGCWHK-HNNXBMFYSA-N 1 0 313.405 1.458 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000299753461 297016731 /nfs/dbraw/zinc/01/67/31/297016731.db2.gz YHBNSKLIAXPGDG-MTSZKFMLSA-N 1 0 323.481 1.604 50 0 DDAARO COc1cc(OC)cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193452698 295012232 /nfs/dbraw/zinc/01/22/32/295012232.db2.gz XLRCLUPQKYXULH-QMTHXVAHSA-N 1 0 314.407 1.123 50 0 DDAARO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000041161966 303430310 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304.434 1.866 50 0 DDAARO CCc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000426477683 419480935 /nfs/dbraw/zinc/48/09/35/419480935.db2.gz FYNWDBADPPNDLY-HNNXBMFYSA-N 1 0 305.422 1.950 50 0 DDAARO CCN(Cc1ccc(C)o1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426507861 419494459 /nfs/dbraw/zinc/49/44/59/419494459.db2.gz KVAQAWCDFSCCNR-OAHLLOKOSA-N 1 0 323.437 1.966 50 0 DDAARO COCc1nc(CSc2nnc(C3CC[NH2+]CC3)n2C)no1 ZINC000426425511 419469164 /nfs/dbraw/zinc/46/91/64/419469164.db2.gz UXSHEKTUYQUVSL-UHFFFAOYSA-N 1 0 324.410 1.104 50 0 DDAARO Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)n1C ZINC000426526303 419498358 /nfs/dbraw/zinc/49/83/58/419498358.db2.gz UPOPIRFLFRTLIO-HNNXBMFYSA-N 1 0 319.449 1.744 50 0 DDAARO CC(C)C(=O)N1CCn2nc(C[NH2+][C@@H]3CCSC3)cc2C1 ZINC000426534464 419503499 /nfs/dbraw/zinc/50/34/99/419503499.db2.gz NWMBSUIDVJOGNI-GFCCVEGCSA-N 1 0 308.451 1.476 50 0 DDAARO CCc1ocnc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426597471 419512895 /nfs/dbraw/zinc/51/28/95/419512895.db2.gz YWEGMVGYRUXKTD-UHFFFAOYSA-N 1 0 307.394 1.610 50 0 DDAARO CC(C)[NH+]1CCN(C(=O)CC2=C3CCCC[C@@H]3NC2=O)CC1 ZINC000575314860 422289296 /nfs/dbraw/zinc/28/92/96/422289296.db2.gz SQRKCOITDVJRFG-HNNXBMFYSA-N 1 0 305.422 1.298 50 0 DDAARO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000585132222 422310183 /nfs/dbraw/zinc/31/01/83/422310183.db2.gz QVIVPEPERCPNHF-KFWWJZLASA-N 1 0 312.479 1.984 50 0 DDAARO CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000058919584 277050184 /nfs/dbraw/zinc/05/01/84/277050184.db2.gz JEYZSFWWHVNUFZ-IRXDYDNUSA-N 1 0 321.465 1.768 50 0 DDAARO CC(C)C[NH2+]C1(CO)CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000408524650 278918111 /nfs/dbraw/zinc/91/81/11/278918111.db2.gz XAZRLTUBNWOLSX-GFCCVEGCSA-N 1 0 312.376 1.372 50 0 DDAARO Cc1[nH+]c(N(C)C)nc(N2CCC3(CNC(=O)O3)CC2)c1C ZINC000065408072 279087807 /nfs/dbraw/zinc/08/78/07/279087807.db2.gz YMFBFDTVNVOLJQ-UHFFFAOYSA-N 1 0 305.382 1.238 50 0 DDAARO Cc1nn(C)c2nc(N(CC[NH+](C)C)C[C@H]3CCCO3)sc12 ZINC000095501383 279207983 /nfs/dbraw/zinc/20/79/83/279207983.db2.gz JUYGPGSEMNEMDV-GFCCVEGCSA-N 1 0 323.466 1.885 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000044895531 279308772 /nfs/dbraw/zinc/30/87/72/279308772.db2.gz VSVIEXWNJJIESP-KGLIPLIRSA-N 1 0 323.462 1.916 50 0 DDAARO O=C1CC[C@@]2(CCC[N@@H+](CCO)C2)CN1CCc1ccccc1 ZINC000077519767 280258795 /nfs/dbraw/zinc/25/87/95/280258795.db2.gz GOUPYRQENQHMKD-LJQANCHMSA-N 1 0 316.445 1.926 50 0 DDAARO Cc1ccc(-n2cc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])nn2)cc1 ZINC000237389096 280739649 /nfs/dbraw/zinc/73/96/49/280739649.db2.gz MMVWXRQUVVOHNI-CJNGLKHVSA-N 1 0 313.405 1.918 50 0 DDAARO Cc1cccc(-n2cc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])nn2)c1 ZINC000269192082 281187323 /nfs/dbraw/zinc/18/73/23/281187323.db2.gz RAFIPQMWDBJGAC-CZUORRHYSA-N 1 0 313.405 1.918 50 0 DDAARO Cc1nc(C(C)C)ncc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000072142948 293202785 /nfs/dbraw/zinc/20/27/85/293202785.db2.gz SUTZPJZXLYPTRN-INIZCTEOSA-N 1 0 306.410 1.047 50 0 DDAARO O=C(NCCc1nccn1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000164384036 298212732 /nfs/dbraw/zinc/21/27/32/298212732.db2.gz BOTMULXBTJJCEO-INIZCTEOSA-N 1 0 312.417 1.732 50 0 DDAARO C[C@H](C1CC1)N(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000257365434 298257392 /nfs/dbraw/zinc/25/73/92/298257392.db2.gz NGFADDZCXRLECB-BZPMIXESSA-N 1 0 301.456 1.130 50 0 DDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CC2(CN3CCOCC3)CC2)n1 ZINC000534582465 334289467 /nfs/dbraw/zinc/28/94/67/334289467.db2.gz MTEGKPVJCSXNAJ-OAHLLOKOSA-N 1 0 306.454 1.590 50 0 DDAARO Cc1cc(Cl)cc2c1NC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C2=O ZINC000534633490 334308320 /nfs/dbraw/zinc/30/83/20/334308320.db2.gz LUZCZPNPYXVHNA-PWSUYJOCSA-N 1 0 307.781 1.745 50 0 DDAARO CCc1ccc(S(=O)(=O)N[C@H]2CN(CC)C[C@@H]2OC)s1 ZINC000534647230 334315990 /nfs/dbraw/zinc/31/59/90/334315990.db2.gz BZCQAQRWWQPNGJ-RYUDHWBXSA-N 1 0 318.464 1.308 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000670435805 484828455 /nfs/dbraw/zinc/82/84/55/484828455.db2.gz AKOKXPJGJOSVGV-GFCCVEGCSA-N 1 0 304.394 1.052 50 0 DDAARO c1cnn(CCC[N@@H+]2CCCO[C@H](CN3CCCCC3)C2)c1 ZINC000670451328 484838152 /nfs/dbraw/zinc/83/81/52/484838152.db2.gz CHFSDMKYTFOLPQ-QGZVFWFLSA-N 1 0 306.454 1.850 50 0 DDAARO C[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCOc1ccccc1 ZINC000670463492 484845249 /nfs/dbraw/zinc/84/52/49/484845249.db2.gz QERMDCOOOCXZAR-AWEZNQCLSA-N 1 0 312.435 1.421 50 0 DDAARO c1cc(-c2noc(-c3cncnc3N[C@H]3CC[NH2+]C3)n2)ccn1 ZINC000263615397 490710617 /nfs/dbraw/zinc/71/06/17/490710617.db2.gz CEWHXBGQMGAYQL-NSHDSACASA-N 1 0 309.333 1.362 50 0 DDAARO CC(C)Cn1ncc2cc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cnc21 ZINC000153387317 519538998 /nfs/dbraw/zinc/53/89/98/519538998.db2.gz OFSKLSWKWRODCP-CHWSQXEVSA-N 1 0 315.421 1.910 50 0 DDAARO C[N@H+](Cc1ccno1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012431538 696050181 /nfs/dbraw/zinc/05/01/81/696050181.db2.gz HFFVAEWJWZIOEH-INIZCTEOSA-N 1 0 309.410 1.506 50 0 DDAARO CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH+](C)C)CC2 ZINC000014742787 696056060 /nfs/dbraw/zinc/05/60/60/696056060.db2.gz TUDDWMGSFUEOSE-AWEZNQCLSA-N 1 0 312.417 1.710 50 0 DDAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000022851205 696079853 /nfs/dbraw/zinc/07/98/53/696079853.db2.gz CJCSTIJESXMPPU-OALUTQOASA-N 1 0 318.461 1.762 50 0 DDAARO CC[N@@H+]1CCO[C@H](CCNC(=O)c2cccc3c2NCCC3)C1 ZINC000067967764 696365558 /nfs/dbraw/zinc/36/55/58/696365558.db2.gz UHLUBLFXOWUMPS-OAHLLOKOSA-N 1 0 317.433 1.885 50 0 DDAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CCc3ccccc32)CC1 ZINC000072120724 696393170 /nfs/dbraw/zinc/39/31/70/696393170.db2.gz WPWJOULTXLBCLD-INIZCTEOSA-N 1 0 314.429 1.872 50 0 DDAARO Cc1nonc1C[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC000952976593 721530627 /nfs/dbraw/zinc/53/06/27/721530627.db2.gz WXCMJMYFEHSHTJ-UHFFFAOYSA-N 1 0 301.350 1.167 50 0 DDAARO Cn1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)C2CCCC2)C1 ZINC000952983712 721531986 /nfs/dbraw/zinc/53/19/86/721531986.db2.gz WSNOMBABJKOYPP-AWEZNQCLSA-N 1 0 304.438 1.939 50 0 DDAARO Cn1nccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccoc2)C1 ZINC000952985440 721532526 /nfs/dbraw/zinc/53/25/26/721532526.db2.gz APPMEFCETQENJB-CYBMUJFWSA-N 1 0 302.378 1.655 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)NCc1nc(Cc2cccs2)no1 ZINC000825012747 759217606 /nfs/dbraw/zinc/21/76/06/759217606.db2.gz XRJSMLFBWCJTGG-SNVBAGLBSA-N 1 0 321.406 1.225 50 0 DDAARO O=C(CN1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065483 759469313 /nfs/dbraw/zinc/46/93/13/759469313.db2.gz MKFWLDABUCZSSK-UHFFFAOYSA-N 1 0 303.406 1.553 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cccc2c1NCCC2 ZINC000828710775 759746980 /nfs/dbraw/zinc/74/69/80/759746980.db2.gz CNKXFJKKQPJJFI-HNNXBMFYSA-N 1 0 317.433 1.621 50 0 DDAARO COCC(=O)N[C@H]1CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000581802997 761714068 /nfs/dbraw/zinc/71/40/68/761714068.db2.gz CNGWZXKPHOWILE-HNNXBMFYSA-N 1 0 303.406 1.589 50 0 DDAARO Cn1ccnc(N2CCC[C@H]([NH2+][C@H]3CC4CCC3CC4)C2)c1=O ZINC000585081522 771926705 /nfs/dbraw/zinc/92/67/05/771926705.db2.gz VYRPBNYLMZHEGL-CKUJCDMFSA-N 1 0 316.449 1.917 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(C)(C)n1cccc1 ZINC000952872359 775616582 /nfs/dbraw/zinc/61/65/82/775616582.db2.gz MGGDVLIIVYWWIE-OAHLLOKOSA-N 1 0 307.438 1.792 50 0 DDAARO Cn1cc([C@@H]2CN(C[C@@](C)(O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000952876923 775626162 /nfs/dbraw/zinc/62/61/62/775626162.db2.gz IIOLHYMPBZPOFB-GVDBMIGSSA-N 1 0 300.406 1.054 50 0 DDAARO CCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000095698947 185383160 /nfs/dbraw/zinc/38/31/60/185383160.db2.gz UJGDVPSHWFYNEV-CQSZACIVSA-N 1 0 322.405 1.975 50 0 DDAARO [NH3+][C@@H]1CCCCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000082120240 192358133 /nfs/dbraw/zinc/35/81/33/192358133.db2.gz HBQMABUSEXFIOT-CQSZACIVSA-N 1 0 303.406 1.477 50 0 DDAARO [NH3+][C@@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O ZINC000082120584 192358202 /nfs/dbraw/zinc/35/82/02/192358202.db2.gz YACCGZDVNXVDMR-QZTJIDSGSA-N 1 0 313.401 1.555 50 0 DDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000082137758 192360726 /nfs/dbraw/zinc/36/07/26/192360726.db2.gz FZZLEQKZQSNJHL-ZDUSSCGKSA-N 1 0 313.405 1.517 50 0 DDAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000096996338 185395742 /nfs/dbraw/zinc/39/57/42/185395742.db2.gz YLCYUPXZYWTMCC-AWEZNQCLSA-N 1 0 305.403 1.662 50 0 DDAARO O=S1(=O)C[C@H](O)[C@H]([N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000095404898 185355405 /nfs/dbraw/zinc/35/54/05/185355405.db2.gz QDIYIPLGOZMUCA-KGLIPLIRSA-N 1 0 301.452 1.581 50 0 DDAARO COC(=O)CN1CCC[N@H+](CCOc2ccccc2C)CC1 ZINC000095432232 185363349 /nfs/dbraw/zinc/36/33/49/185363349.db2.gz DKYNTMIVVWMKFL-UHFFFAOYSA-N 1 0 306.406 1.555 50 0 DDAARO C[C@@H]1C[N@@H+](CCCCNc2nccn3cnnc23)C[C@H](C)O1 ZINC000097019086 185397909 /nfs/dbraw/zinc/39/79/09/185397909.db2.gz VGVJOEFYEXPOFN-BETUJISGSA-N 1 0 304.398 1.426 50 0 DDAARO Cc1nc(-c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)n[nH]1 ZINC000156875380 282309434 /nfs/dbraw/zinc/30/94/34/282309434.db2.gz KSMBJFYAWPWARE-XHDPSFHLSA-N 1 0 313.405 1.980 50 0 DDAARO C[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)C[NH+]1CCN(C)CC1 ZINC000071853882 191032082 /nfs/dbraw/zinc/03/20/82/191032082.db2.gz WMQPRBWSVJWVPG-AWEZNQCLSA-N 1 0 314.433 1.781 50 0 DDAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000072140353 191047843 /nfs/dbraw/zinc/04/78/43/191047843.db2.gz RELJVQOQCMITTL-PHIMTYICSA-N 1 0 300.410 1.316 50 0 DDAARO FC(F)(F)[C@@H]1CN(Cc2cc3n(n2)CCC[NH2+]C3)CCO1 ZINC000072143212 191049820 /nfs/dbraw/zinc/04/98/20/191049820.db2.gz SLCYDJWMFYPYBR-LBPRGKRZSA-N 1 0 304.316 1.140 50 0 DDAARO Cc1ncc2c(c1CNC(=O)c1cc(C3CC3)n[nH]1)CC[NH2+]C2 ZINC000072161803 191061895 /nfs/dbraw/zinc/06/18/95/191061895.db2.gz ZWDZUNBSPFULCK-UHFFFAOYSA-N 1 0 311.389 1.566 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000072153327 191057932 /nfs/dbraw/zinc/05/79/32/191057932.db2.gz XGFHWCWPMCFRSM-NSHDSACASA-N 1 0 317.311 1.207 50 0 DDAARO OC[C@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@@H]1O ZINC000072166445 191065151 /nfs/dbraw/zinc/06/51/51/191065151.db2.gz JNHIWXXPBJZAAJ-SJORKVTESA-N 1 0 301.390 1.107 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)o1 ZINC000072241103 191085141 /nfs/dbraw/zinc/08/51/41/191085141.db2.gz ABJHMMOMPLEHGA-OAHLLOKOSA-N 1 0 321.421 1.537 50 0 DDAARO CN(CC[NH+](C)C)C(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000072309989 191118588 /nfs/dbraw/zinc/11/85/88/191118588.db2.gz UPTGISMZEQRQAH-UHFFFAOYSA-N 1 0 301.431 1.654 50 0 DDAARO OC[C@H]1COCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000072409066 191154353 /nfs/dbraw/zinc/15/43/53/191154353.db2.gz BSKCMELYAAXOJN-SFHVURJKSA-N 1 0 318.461 1.634 50 0 DDAARO C[NH+](C)CCCOC(=O)C[C@](C)(O)[C@@H]1CCOC(C)(C)C1 ZINC000002095083 352110781 /nfs/dbraw/zinc/11/07/81/352110781.db2.gz DOOPQZWBQGMYGP-CJNGLKHVSA-N 1 0 301.427 1.828 50 0 biogenic DDAARO COCCCN(C(=O)Cc1c(C)noc1C)C1CC[NH+](C)CC1 ZINC000072419023 191157542 /nfs/dbraw/zinc/15/75/42/191157542.db2.gz FQXMDYALBSBUDC-UHFFFAOYSA-N 1 0 323.437 1.793 50 0 DDAARO CCn1nnc(-c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)n1 ZINC000072469837 191175917 /nfs/dbraw/zinc/17/59/17/191175917.db2.gz GCLCGXOZVFTOPN-NWDGAFQWSA-N 1 0 300.366 1.426 50 0 DDAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000072476177 191178286 /nfs/dbraw/zinc/17/82/86/191178286.db2.gz MPKYFUFQYDLPGU-DZGCQCFKSA-N 1 0 306.410 1.259 50 0 DDAARO CCOC(=O)c1c2c(nn1Cc1cccc(OC)c1)CC[NH2+]C2 ZINC000072233712 353194844 /nfs/dbraw/zinc/19/48/44/353194844.db2.gz LIDHBOYEBXXJNX-UHFFFAOYSA-N 1 0 315.373 1.762 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1[NH+](C)C ZINC000076056700 353395008 /nfs/dbraw/zinc/39/50/08/353395008.db2.gz CTAUVSVKVNEQNJ-GXTWGEPZSA-N 1 0 302.378 1.547 50 0 DDAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)NCCC1=CCCCC1 ZINC000075603357 353370825 /nfs/dbraw/zinc/37/08/25/353370825.db2.gz FZJDCCBKAXLDMA-AWEZNQCLSA-N 1 0 303.410 1.189 50 0 DDAARO CC[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H]1[NH+](C)C ZINC000089948554 353784413 /nfs/dbraw/zinc/78/44/13/353784413.db2.gz KLOWVMQPCQXKIC-FZMZJTMJSA-N 1 0 317.389 1.430 50 0 DDAARO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CCO1 ZINC000097200620 353917963 /nfs/dbraw/zinc/91/79/63/353917963.db2.gz IVJSZPTVXFZNIP-LSDHHAIUSA-N 1 0 318.421 1.063 50 0 DDAARO CC(C)N1C(=O)N[C@]2(CC[N@@H+]([C@H](C)c3cccnc3)C2)C1=O ZINC000107322940 353944655 /nfs/dbraw/zinc/94/46/55/353944655.db2.gz ZEAMHMUYOUHSAD-WBMJQRKESA-N 1 0 302.378 1.547 50 0 DDAARO CCS(=O)(=O)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000121904939 354022391 /nfs/dbraw/zinc/02/23/91/354022391.db2.gz LSBJUQQHCJMXQQ-UHFFFAOYSA-N 1 0 314.426 1.772 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cn3ccnc3s2)C1 ZINC000190806613 354286581 /nfs/dbraw/zinc/28/65/81/354286581.db2.gz INVDLLPLGBLJPA-GFCCVEGCSA-N 1 0 323.418 1.909 50 0 DDAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000195574159 354298068 /nfs/dbraw/zinc/29/80/68/354298068.db2.gz ZXFBOJQCSICIKO-ILXRZTDVSA-N 1 0 318.483 1.595 50 0 DDAARO Cn1cc(Cl)cc1C(=O)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000584890116 354792648 /nfs/dbraw/zinc/79/26/48/354792648.db2.gz YMJAWYPYTRQUTG-ZDUSSCGKSA-N 1 0 313.829 1.645 50 0 DDAARO COCC[N@@H+]1CC[C@@H](Cn2cnc3cc(F)ccc3c2=O)C1 ZINC000584886032 354789810 /nfs/dbraw/zinc/78/98/10/354789810.db2.gz LSRPYDTVZKEVPK-GFCCVEGCSA-N 1 0 305.353 1.504 50 0 DDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CCCCO)CC1 ZINC000584898251 354797909 /nfs/dbraw/zinc/79/79/09/354797909.db2.gz UDDYLOOSWJSNHR-MRXNPFEDSA-N 1 0 311.470 1.168 50 0 DDAARO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2(C)Cc3ccccc3C2)C1 ZINC000585134045 354811359 /nfs/dbraw/zinc/81/13/59/354811359.db2.gz BFWNGQAQYQSBHQ-LJQANCHMSA-N 1 0 316.445 1.755 50 0 DDAARO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)n2ncnc2n1 ZINC000585136796 354812753 /nfs/dbraw/zinc/81/27/53/354812753.db2.gz SSADZDJTHCTOSK-HOTGVXAUSA-N 1 0 320.400 1.896 50 0 DDAARO Cn1cncc1/C=C/C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000585136459 354812856 /nfs/dbraw/zinc/81/28/56/354812856.db2.gz HDXMODXKTYPFGU-HWKANZROSA-N 1 0 300.337 1.857 50 0 DDAARO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)c2ccccc2[nH]1 ZINC000077436550 191714146 /nfs/dbraw/zinc/71/41/46/191714146.db2.gz KYEHSNXDXDRMHD-KRWDZBQOSA-N 1 0 321.380 1.714 50 0 DDAARO C[C@H]1C[C@H](C)C[NH+](CCNS(=O)(=O)N2CCCCCC2)C1 ZINC000046035349 291115182 /nfs/dbraw/zinc/11/51/82/291115182.db2.gz PCYMSFDGNRXSEY-GJZGRUSLSA-N 1 0 317.499 1.675 50 0 DDAARO C[NH2+]C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000237104411 202156083 /nfs/dbraw/zinc/15/60/83/202156083.db2.gz SDJYEJNIFQEHBT-UHFFFAOYSA-N 1 0 306.790 1.852 50 0 DDAARO CN1CC[N@H+](C)[C@@H](CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000601014259 358382619 /nfs/dbraw/zinc/38/26/19/358382619.db2.gz CTXPJEOEEAXKTI-WBVHZDCISA-N 1 0 319.424 1.778 50 0 DDAARO Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3C[NH3+])CC2=O)c(F)c1 ZINC000237646677 202317663 /nfs/dbraw/zinc/31/76/63/202317663.db2.gz WUDQPBULCSGROO-QWHCGFSZSA-N 1 0 319.380 1.437 50 0 DDAARO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc(Cl)c2O1 ZINC000237723292 202339490 /nfs/dbraw/zinc/33/94/90/202339490.db2.gz VEFAUJQZQVDFBL-WPRPVWTQSA-N 1 0 316.810 1.385 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)CN[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000237921842 202391400 /nfs/dbraw/zinc/39/14/00/202391400.db2.gz RKTXUMCTXTZRQR-WCQYABFASA-N 1 0 301.312 1.439 50 0 DDAARO O=C(NCc1ncccc1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000241815948 202467437 /nfs/dbraw/zinc/46/74/37/202467437.db2.gz SEILELHLZHRDSG-AWEZNQCLSA-N 1 0 305.378 1.047 50 0 DDAARO CCc1cccc(OC[C@H](O)C[NH+](CCOC)CCOC)c1 ZINC000006552542 181353563 /nfs/dbraw/zinc/35/35/63/181353563.db2.gz KKYYGSMEKXEFPH-MRXNPFEDSA-N 1 0 311.422 1.584 50 0 DDAARO O=C([C@@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000237648484 296055558 /nfs/dbraw/zinc/05/55/58/296055558.db2.gz RVRWEJNTBUYDRQ-KBPBESRZSA-N 1 0 310.781 1.228 50 0 DDAARO CC[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)n1cccn1 ZINC000091664927 193088209 /nfs/dbraw/zinc/08/82/09/193088209.db2.gz RSKGFRPZJGVYHN-HNNXBMFYSA-N 1 0 322.478 1.874 50 0 DDAARO CN1CC2(CC[NH+](CCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091860701 193118915 /nfs/dbraw/zinc/11/89/15/193118915.db2.gz DKCKEXITNLYDQE-INIZCTEOSA-N 1 0 302.418 1.707 50 0 DDAARO C[C@H](O)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091906980 193124768 /nfs/dbraw/zinc/12/47/68/193124768.db2.gz FVPUKUOCLJDGIN-ZDUSSCGKSA-N 1 0 320.437 1.419 50 0 DDAARO COC(=O)[C@]1(C)CC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093813745 193312122 /nfs/dbraw/zinc/31/21/22/193312122.db2.gz CICVMHAUYMUKLK-MRXNPFEDSA-N 1 0 302.378 1.731 50 0 DDAARO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C(C)(C)O1 ZINC000095968654 193465472 /nfs/dbraw/zinc/46/54/72/193465472.db2.gz UTVICZRCUBJMTE-CQSZACIVSA-N 1 0 306.406 1.986 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)N[C@@H]1COc2ccccc2C1 ZINC000015787254 182018025 /nfs/dbraw/zinc/01/80/25/182018025.db2.gz DNXSNMWYJZAUOZ-HNNXBMFYSA-N 1 0 303.406 1.775 50 0 DDAARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1Cl ZINC000020434562 182217150 /nfs/dbraw/zinc/21/71/50/182217150.db2.gz HXBKCNXDYVNFRI-VMAXQDLPSA-N 1 0 303.189 1.893 50 0 DDAARO C[NH+](C)CC(C)(C)CNC=C1c2ccccc2C(=O)NC1=O ZINC000021759322 182287558 /nfs/dbraw/zinc/28/75/58/182287558.db2.gz VMHNPMPEHZPBEP-NTEUORMPSA-N 1 0 301.390 1.475 50 0 DDAARO CC[NH+]1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000022910018 182339874 /nfs/dbraw/zinc/33/98/74/182339874.db2.gz RUEBRSOGGWYBEH-UHFFFAOYSA-N 1 0 313.409 1.335 50 0 DDAARO CC[NH+]1CCN(CCNc2nc(-c3ccccc3)no2)CC1 ZINC000022937579 182342365 /nfs/dbraw/zinc/34/23/65/182342365.db2.gz DQMZIOWCWDOQRF-UHFFFAOYSA-N 1 0 301.394 1.786 50 0 DDAARO Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n2ncnc2n1 ZINC000023619327 182364503 /nfs/dbraw/zinc/36/45/03/182364503.db2.gz WKEPPLDNJJBGIP-BETUJISGSA-N 1 0 304.398 1.344 50 0 DDAARO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000032089766 182634329 /nfs/dbraw/zinc/63/43/29/182634329.db2.gz KSTKNYDEXOEJFP-UHFFFAOYSA-N 1 0 316.405 1.955 50 0 DDAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(=O)[nH]n2)cc1 ZINC000045581403 183516815 /nfs/dbraw/zinc/51/68/15/183516815.db2.gz DUJCTGQBQYCXKB-UHFFFAOYSA-N 1 0 314.389 1.954 50 0 DDAARO O=C(NCc1ccc(F)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106167240 194190049 /nfs/dbraw/zinc/19/00/49/194190049.db2.gz OAVLVSJLTHYYKR-GJZGRUSLSA-N 1 0 307.369 1.488 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000050081610 183772155 /nfs/dbraw/zinc/77/21/55/183772155.db2.gz VPCNOICTDZKZTG-MRXNPFEDSA-N 1 0 317.433 1.493 50 0 DDAARO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)C2 ZINC000110569797 194339432 /nfs/dbraw/zinc/33/94/32/194339432.db2.gz QAMQHDZULQGTJB-UONOGXRCSA-N 1 0 304.390 1.457 50 0 DDAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccon1 ZINC000110682495 194349007 /nfs/dbraw/zinc/34/90/07/194349007.db2.gz IIVVAOITMXXZAP-XQQFMLRXSA-N 1 0 315.439 1.460 50 0 DDAARO COc1cccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)[NH+](C)C)c1 ZINC000057288434 184032279 /nfs/dbraw/zinc/03/22/79/184032279.db2.gz JKFHBHXPQKTEBQ-HNNXBMFYSA-N 1 0 315.373 1.416 50 0 DDAARO CC(C)Cc1nc(CSc2nnnn2CC[NH+](C)C)no1 ZINC000057924555 184062771 /nfs/dbraw/zinc/06/27/71/184062771.db2.gz HQXPNGGPSUWGHM-UHFFFAOYSA-N 1 0 311.415 1.109 50 0 DDAARO Cc1ccc(-c2nnn(C[C@H](O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000058142454 184080540 /nfs/dbraw/zinc/08/05/40/184080540.db2.gz GEWZEOIIYHSVGI-MRXNPFEDSA-N 1 0 315.421 1.741 50 0 DDAARO CCC[NH+]1CCC(NC(=O)[C@H](NC(C)=O)C2CCCC2)CC1 ZINC000058367329 184109419 /nfs/dbraw/zinc/10/94/19/184109419.db2.gz PYOIESLGAKHITE-MRXNPFEDSA-N 1 0 309.454 1.672 50 0 DDAARO CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058264982 184096156 /nfs/dbraw/zinc/09/61/56/184096156.db2.gz ZSLAUKWXUQWXCO-OLZOCXBDSA-N 1 0 305.378 1.073 50 0 DDAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(=O)[nH]n1 ZINC000058266906 184097251 /nfs/dbraw/zinc/09/72/51/184097251.db2.gz RADGTCHUQUOZHS-UHFFFAOYSA-N 1 0 318.421 1.957 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)CN2 ZINC000058299873 184102768 /nfs/dbraw/zinc/10/27/68/184102768.db2.gz LYJFXLXAGVIKOJ-GJZGRUSLSA-N 1 0 316.405 1.263 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCN(Cc3ccccc3)C1)CN2 ZINC000058308385 184103816 /nfs/dbraw/zinc/10/38/16/184103816.db2.gz GCXVQXUBPIXJIC-SJORKVTESA-N 1 0 311.433 1.789 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(Cn3cncn3)cc1)CN2 ZINC000058325198 184105244 /nfs/dbraw/zinc/10/52/44/184105244.db2.gz ONRIHADWBOYZDI-MRXNPFEDSA-N 1 0 323.404 1.354 50 0 DDAARO CCOc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000058403137 184113179 /nfs/dbraw/zinc/11/31/79/184113179.db2.gz NWDVLQNEYLQIJE-GDBMZVCRSA-N 1 0 304.390 1.678 50 0 DDAARO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000065462659 184348905 /nfs/dbraw/zinc/34/89/05/184348905.db2.gz UDJUOVCPBZUVPF-CQSZACIVSA-N 1 0 311.385 1.866 50 0 DDAARO CC(C)[C@@H](Cn1ccnc1)[NH2+]CC(=O)NCc1ccccc1F ZINC000065469393 184350810 /nfs/dbraw/zinc/35/08/10/184350810.db2.gz BXGZZQLKQHSFNO-MRXNPFEDSA-N 1 0 318.396 1.953 50 0 DDAARO COc1cccc(C[C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000065490097 184353562 /nfs/dbraw/zinc/35/35/62/184353562.db2.gz XBIKIPMUVXGLSU-LBPRGKRZSA-N 1 0 300.424 1.107 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000065403891 184336914 /nfs/dbraw/zinc/33/69/14/184336914.db2.gz CMPXKUKMQFVNRK-HNNXBMFYSA-N 1 0 317.433 1.724 50 0 DDAARO CCc1ccc(C[NH+]2CCC(c3n[nH]c(=O)n3CC)CC2)nc1 ZINC000065403686 184337501 /nfs/dbraw/zinc/33/75/01/184337501.db2.gz AXVXQZLCDBTHEO-UHFFFAOYSA-N 1 0 315.421 1.928 50 0 DDAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000065530991 184361034 /nfs/dbraw/zinc/36/10/34/184361034.db2.gz ZHTXKWLTADAEEN-JTQLQIEISA-N 1 0 318.343 1.901 50 0 DDAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000065538979 184363164 /nfs/dbraw/zinc/36/31/64/184363164.db2.gz HILPDAGEAVQZSU-ZDUSSCGKSA-N 1 0 304.390 1.920 50 0 DDAARO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065593894 184370286 /nfs/dbraw/zinc/37/02/86/184370286.db2.gz KODAXIRSLTZWAR-SJORKVTESA-N 1 0 323.437 1.152 50 0 DDAARO CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@@H](C)C(=O)OC ZINC000065494755 184354698 /nfs/dbraw/zinc/35/46/98/184354698.db2.gz SHEHRLFSYFYDGT-SNVBAGLBSA-N 1 0 313.785 1.805 50 0 DDAARO C[C@@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)[NH+](C)C ZINC000065623328 184375027 /nfs/dbraw/zinc/37/50/27/184375027.db2.gz YWXZBEKSTCWNSP-JTQLQIEISA-N 1 0 307.785 1.601 50 0 DDAARO Cc1c(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000120657115 195210050 /nfs/dbraw/zinc/21/00/50/195210050.db2.gz QMIVKUFKGJWJMM-MELADBBJSA-N 1 0 321.469 1.894 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000237430399 257238599 /nfs/dbraw/zinc/23/85/99/257238599.db2.gz UUXKMYYZASPRTG-ZFWWWQNUSA-N 1 0 313.401 1.730 50 0 DDAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000237627344 257238690 /nfs/dbraw/zinc/23/86/90/257238690.db2.gz CRANBTFAODIDSS-NWDGAFQWSA-N 1 0 302.353 1.963 50 0 DDAARO Cc1ccc(-n2cc(C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])nn2)cc1 ZINC000237451344 292035849 /nfs/dbraw/zinc/03/58/49/292035849.db2.gz MMVWXRQUVVOHNI-BBRMVZONSA-N 1 0 313.405 1.918 50 0 DDAARO CCO[C@@H]1C[C@](O)(C[NH2+]C2CCC(NC(C)=O)CC2)C1(C)C 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/nfs/dbraw/zinc/66/25/70/407662570.db2.gz VSEBCEPXQMHBAX-KBPBESRZSA-N 1 0 322.430 1.447 50 0 DDAARO Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000229515662 407664972 /nfs/dbraw/zinc/66/49/72/407664972.db2.gz WGQYTGNOZNNDBB-ROUUACIJSA-N 1 0 320.481 1.749 50 0 DDAARO CC(C)COc1ccc(CCNC(=O)[C@H]2COCCN2)cc1 ZINC000236673378 407745812 /nfs/dbraw/zinc/74/58/12/407745812.db2.gz QHZQIFUWEONWPL-MRXNPFEDSA-N 1 0 306.406 1.369 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000179222276 407758916 /nfs/dbraw/zinc/75/89/16/407758916.db2.gz FPVZISARHDZUHY-ZWNOBZJWSA-N 1 0 317.393 1.583 50 0 DDAARO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccon3)CC2)cc1 ZINC000237952806 407854149 /nfs/dbraw/zinc/85/41/49/407854149.db2.gz DGVMGVVEZJXYHG-UHFFFAOYSA-N 1 0 300.362 1.091 50 0 DDAARO Cc1ccnc(C[C@H](C)[N@H+](C)CC(=O)N2CCN(C)CC2)c1 ZINC000244633487 407928489 /nfs/dbraw/zinc/92/84/89/407928489.db2.gz GDWGBZXERIZAHP-HNNXBMFYSA-N 1 0 304.438 1.027 50 0 DDAARO Cc1cc(C)n(CCC[N@@H+](C)[C@H](C)C(=O)Nc2nncs2)n1 ZINC000244852550 407942657 /nfs/dbraw/zinc/94/26/57/407942657.db2.gz UUJJXEHNMYCSRN-GFCCVEGCSA-N 1 0 322.438 1.701 50 0 DDAARO O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269219956 408232306 /nfs/dbraw/zinc/23/23/06/408232306.db2.gz HVHOYTWLDIKZCL-GJZGRUSLSA-N 1 0 306.381 1.477 50 0 DDAARO COc1cc(OC)c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000192473096 408593782 /nfs/dbraw/zinc/59/37/82/408593782.db2.gz XRZPPKQJTQOTLC-TXEJJXNPSA-N 1 0 320.389 1.346 50 0 DDAARO O=C(CSc1ccc(Cl)cc1)NC[C@@]1(O)CCC[NH2+]C1 ZINC000252480423 408794943 /nfs/dbraw/zinc/79/49/43/408794943.db2.gz BZWQTDRWGIZZIZ-CQSZACIVSA-N 1 0 314.838 1.663 50 0 DDAARO Cc1cccnc1NCCNC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000252508691 408801801 /nfs/dbraw/zinc/80/18/01/408801801.db2.gz XQXIQSSHPMLSCA-OAHLLOKOSA-N 1 0 320.437 1.419 50 0 DDAARO Cc1noc(C)c1CN1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237607168 163383523 /nfs/dbraw/zinc/38/35/23/163383523.db2.gz 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/nfs/dbraw/zinc/27/50/68/196275068.db2.gz KGKYPMWCCPOPKC-SECBINFHSA-N 1 0 322.308 1.153 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000046857776 418451461 /nfs/dbraw/zinc/45/14/61/418451461.db2.gz FYOJGWRGMZZCHE-AWEZNQCLSA-N 1 0 321.465 1.626 50 0 DDAARO C[C@H](C(=O)NCCc1nc(C2CC2)no1)[NH+]1CCCCCC1 ZINC000219319984 418560986 /nfs/dbraw/zinc/56/09/86/418560986.db2.gz AMZZDBWRSYQIRD-GFCCVEGCSA-N 1 0 306.410 1.870 50 0 DDAARO Cc1nc2c(nccc2C(=O)NCc2cnc3n2CCCC3)[nH]1 ZINC000367648195 418618965 /nfs/dbraw/zinc/61/89/65/418618965.db2.gz GDKUTUPHYWWJTB-UHFFFAOYSA-N 1 0 310.361 1.729 50 0 DDAARO Cc1c[nH]cc1C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000408522230 418808170 /nfs/dbraw/zinc/80/81/70/418808170.db2.gz FSIMZEYLUNHEEV-AWEZNQCLSA-N 1 0 323.462 1.603 50 0 DDAARO Cn1ccnc1[C@H](NC(=O)c1cccc(OCC[NH3+])c1)C1CC1 ZINC000426642911 419523376 /nfs/dbraw/zinc/52/33/76/419523376.db2.gz OGAGOTLGZDZTAJ-OAHLLOKOSA-N 1 0 314.389 1.639 50 0 DDAARO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426716118 419540155 /nfs/dbraw/zinc/54/01/55/419540155.db2.gz PPZJSBIQCVGWCY-SFHVURJKSA-N 1 0 321.465 1.757 50 0 DDAARO O=C(C1CCC1)N1CCn2nc(C[NH2+][C@H]3CCSC3)cc2C1 ZINC000426566814 419511071 /nfs/dbraw/zinc/51/10/71/419511071.db2.gz CLZPAKAXXSMLDD-ZDUSSCGKSA-N 1 0 320.462 1.621 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000299739680 229372309 /nfs/dbraw/zinc/37/23/09/229372309.db2.gz RHSAUEQRFRWHIQ-COPLHBTASA-N 1 0 309.360 1.787 50 0 DDAARO Cn1nc(C(F)(F)F)c(CN2CCO[C@H]3C[NH2+]C[C@H]32)c1Cl ZINC000583615596 422198371 /nfs/dbraw/zinc/19/83/71/422198371.db2.gz NMXOZYXFOMNHIS-BDAKNGLRSA-N 1 0 324.734 1.265 50 0 DDAARO CC1(C)CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@@H]1C(F)(F)F ZINC000662545006 424692920 /nfs/dbraw/zinc/69/29/20/424692920.db2.gz KEUQOKVLSYTQAT-JTQLQIEISA-N 1 0 319.331 1.287 50 0 DDAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000030542196 278846123 /nfs/dbraw/zinc/84/61/23/278846123.db2.gz RTZRDXJXFXZPRN-OAHLLOKOSA-N 1 0 313.467 1.985 50 0 DDAARO Cc1nsc(N2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000237717200 279263402 /nfs/dbraw/zinc/26/34/02/279263402.db2.gz YRNGXFRUIYCJPF-CHWSQXEVSA-N 1 0 323.466 1.403 50 0 DDAARO O=C([C@@H]1CCCC12OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000225799695 280081458 /nfs/dbraw/zinc/08/14/58/280081458.db2.gz CPSPYNAMHDFAHC-HNNXBMFYSA-N 1 0 308.422 1.616 50 0 DDAARO Cc1c2cccc(F)c2[nH]c1C(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH3+] ZINC000219330272 280269399 /nfs/dbraw/zinc/26/93/99/280269399.db2.gz KWJDQRNAJZHLCP-VNLRXTSXSA-N 1 0 303.337 1.460 50 0 DDAARO Cc1ccc2[nH]c(C(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)cc2c1 ZINC000067714104 281024182 /nfs/dbraw/zinc/02/41/82/281024182.db2.gz WHXSTLFVOVWPRM-OAHLLOKOSA-N 1 0 312.417 1.548 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000237910620 303469180 /nfs/dbraw/zinc/46/91/80/303469180.db2.gz IMAIRKGLPOTCGT-GFCCVEGCSA-N 1 0 308.809 1.948 50 0 DDAARO Cc1n[nH]c(C)c1CCCN(C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000534576779 334287772 /nfs/dbraw/zinc/28/77/72/334287772.db2.gz JGCODOJTKBGTKY-GFCCVEGCSA-N 1 0 309.458 1.798 50 0 DDAARO Cc1cc(N2CCCN(C(=O)NCC3(CO)CC3)CC2)cc[nH+]1 ZINC000534587834 334292713 /nfs/dbraw/zinc/29/27/13/334292713.db2.gz BUXZTCKFJUWZRN-UHFFFAOYSA-N 1 0 318.421 1.384 50 0 DDAARO O=C(NCCc1ncc[nH]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534633008 334308274 /nfs/dbraw/zinc/30/82/74/334308274.db2.gz SZYAMSGODFVACE-UHFFFAOYSA-N 1 0 323.466 1.175 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1c(F)cccc1F ZINC000097102328 337382253 /nfs/dbraw/zinc/38/22/53/337382253.db2.gz NKKAMSALRLOPOP-LLVKDONJSA-N 1 0 318.389 1.869 50 0 DDAARO Cc1nc2c(c(=O)n1C)C[N@@H+]([C@@H]1CCOC3(CCOCC3)C1)C2 ZINC000082106600 483982767 /nfs/dbraw/zinc/98/27/67/483982767.db2.gz HKDVPDUYGMTGCI-CYBMUJFWSA-N 1 0 319.405 1.133 50 0 DDAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(CO)o2)cn1 ZINC000083843508 483983826 /nfs/dbraw/zinc/98/38/26/483983826.db2.gz PNDBYVPUOTWEPO-LRDDRELGSA-N 1 0 305.378 1.856 50 0 DDAARO CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000084810956 484002123 /nfs/dbraw/zinc/00/21/23/484002123.db2.gz DVKAHWNBECPWAF-SFHVURJKSA-N 1 0 318.417 1.814 50 0 DDAARO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1CC ZINC000106786710 484024905 /nfs/dbraw/zinc/02/49/05/484024905.db2.gz OMUHSNSZBQXLFE-CVEARBPZSA-N 1 0 311.470 1.430 50 0 DDAARO CSCCC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000670441820 484831799 /nfs/dbraw/zinc/83/17/99/484831799.db2.gz ICFKOYZZVCDUDR-AWEZNQCLSA-N 1 0 300.468 1.843 50 0 DDAARO Cc1nc(C)c(CC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)s1 ZINC000670448169 484836263 /nfs/dbraw/zinc/83/62/63/484836263.db2.gz ZETGPJHWWVGSBK-CYBMUJFWSA-N 1 0 311.451 1.265 50 0 DDAARO CNC(=O)C[C@H]1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C1 ZINC000670474351 484852192 /nfs/dbraw/zinc/85/21/92/484852192.db2.gz JHSPFSPYHBXPEM-CQSZACIVSA-N 1 0 307.438 1.380 50 0 DDAARO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)c(C)n1C1CC1 ZINC000170047976 545647931 /nfs/dbraw/zinc/64/79/31/545647931.db2.gz KIHGPRVTFPUACR-UHFFFAOYSA-N 1 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c1cc2n(n1)C[C@H](C[NH2+]Cc1cnn(Cc3ccccc3)c1)CN2 ZINC000069490357 406722520 /nfs/dbraw/zinc/72/25/20/406722520.db2.gz LTDHECWOOHRTHD-MRXNPFEDSA-N 1 0 322.416 1.959 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000069511093 406725105 /nfs/dbraw/zinc/72/51/05/406725105.db2.gz DNHMGGDEMKICEY-UONOGXRCSA-N 1 0 316.405 1.795 50 0 DDAARO CC(=O)N[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000069528844 406729756 /nfs/dbraw/zinc/72/97/56/406729756.db2.gz XKUSOTMWNKLYTR-ULQDDVLXSA-N 1 0 321.465 1.767 50 0 DDAARO COc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)ccc1OCCO ZINC000069817498 406775832 /nfs/dbraw/zinc/77/58/32/406775832.db2.gz WLUNYUWURLNPBN-LLVKDONJSA-N 1 0 305.378 1.949 50 0 DDAARO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(C)no3)C2)no1 ZINC000069872093 406784550 /nfs/dbraw/zinc/78/45/50/406784550.db2.gz JGYFRKTYWJWJGC-GFCCVEGCSA-N 1 0 305.382 1.683 50 0 DDAARO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000009051981 406800503 /nfs/dbraw/zinc/80/05/03/406800503.db2.gz 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/nfs/dbraw/zinc/85/78/49/406857849.db2.gz YKPBIGDSCGCQQZ-OAHLLOKOSA-N 1 0 306.373 1.840 50 0 DDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)nc3sccn13)CC2 ZINC000071877274 406859972 /nfs/dbraw/zinc/85/99/72/406859972.db2.gz CRHUVAJBCRJKOU-NSHDSACASA-N 1 0 316.434 1.963 50 0 DDAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C ZINC000013647847 406864163 /nfs/dbraw/zinc/86/41/63/406864163.db2.gz LOPZPRSLUUENOA-UHFFFAOYSA-N 1 0 312.435 1.768 50 0 DDAARO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000071921611 406867759 /nfs/dbraw/zinc/86/77/59/406867759.db2.gz IIKGIYJRFGMWJH-UHFFFAOYSA-N 1 0 313.423 1.311 50 0 DDAARO OCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717624 406867835 /nfs/dbraw/zinc/86/78/35/406867835.db2.gz PAUFMROJGQLOGR-UHFFFAOYSA-N 1 0 311.345 1.537 50 0 DDAARO CCCC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC ZINC000072268653 406876453 /nfs/dbraw/zinc/87/64/53/406876453.db2.gz KTKHFZPDERVQDQ-QLFBSQMISA-N 1 0 309.454 1.896 50 0 DDAARO CC[C@@H](OC)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000072273956 406877181 /nfs/dbraw/zinc/87/71/81/406877181.db2.gz ZUIFWASGMZMXPM-OAHLLOKOSA-N 1 0 309.385 1.941 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000072298340 406879229 /nfs/dbraw/zinc/87/92/29/406879229.db2.gz BGMAQPUDFIHDNO-SUMWQHHRSA-N 1 0 319.405 1.990 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000072300600 406880610 /nfs/dbraw/zinc/88/06/10/406880610.db2.gz BDPIKQRDMSKWOU-MFKMUULPSA-N 1 0 318.389 1.724 50 0 DDAARO COCCNC(=S)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015348579 406881290 /nfs/dbraw/zinc/88/12/90/406881290.db2.gz SAKRWDYJVBIAQS-ZDUSSCGKSA-N 1 0 311.451 1.917 50 0 DDAARO CC(C)C[C@H](CNc1ncnc2c1cnn2C)[NH+]1CCOCC1 ZINC000026146300 406902323 /nfs/dbraw/zinc/90/23/23/406902323.db2.gz ZORPHBGMVKQRIR-CYBMUJFWSA-N 1 0 318.425 1.522 50 0 DDAARO Cc1c(C)n(C[C@@H](O)C[NH+](CCO)CCO)c2ccc(F)cc12 ZINC000012422004 406844980 /nfs/dbraw/zinc/84/49/80/406844980.db2.gz MALAXDGANHQLFS-HNNXBMFYSA-N 1 0 324.396 1.045 50 0 DDAARO Cn1c(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc(=O)n(C)c1=O ZINC000071811015 406845590 /nfs/dbraw/zinc/84/55/90/406845590.db2.gz MOFIVTXCRGPKHV-HNNXBMFYSA-N 1 0 305.422 1.629 50 0 DDAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000012433643 406845711 /nfs/dbraw/zinc/84/57/11/406845711.db2.gz RVJRFXZRPHIGQT-OAHLLOKOSA-N 1 0 313.405 1.758 50 0 DDAARO CC(C)[NH+]1CCC2(CC1)NC(=O)c1ccccc1-n1nnnc12 ZINC000035606345 406973704 /nfs/dbraw/zinc/97/37/04/406973704.db2.gz JJYKSRJLCUWXLJ-UHFFFAOYSA-N 1 0 312.377 1.105 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(=O)[nH]1 ZINC000075118545 406922741 /nfs/dbraw/zinc/92/27/41/406922741.db2.gz IOKGJIXRNCJOBO-OAHLLOKOSA-N 1 0 317.364 1.855 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030267554 406930168 /nfs/dbraw/zinc/93/01/68/406930168.db2.gz JTNLPELADVYDPU-LLVKDONJSA-N 1 0 311.357 1.371 50 0 DDAARO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC1CC1 ZINC000075535683 406934998 /nfs/dbraw/zinc/93/49/98/406934998.db2.gz AWTNJOVXSXYILX-UHFFFAOYSA-N 1 0 303.406 1.605 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000044571875 407026810 /nfs/dbraw/zinc/02/68/10/407026810.db2.gz JZXKFIZOBSKLPW-LBPRGKRZSA-N 1 0 314.389 1.066 50 0 DDAARO Cc1csc(=O)n1CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044941947 407034823 /nfs/dbraw/zinc/03/48/23/407034823.db2.gz UIUMNSQAIHNIMY-QWHCGFSZSA-N 1 0 309.435 1.351 50 0 DDAARO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000044966380 407036170 /nfs/dbraw/zinc/03/61/70/407036170.db2.gz RGSKOWXIPUQQIS-RBSFLKMASA-N 1 0 320.437 1.808 50 0 DDAARO CC(=O)[C@H](NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000077315771 406983991 /nfs/dbraw/zinc/98/39/91/406983991.db2.gz BBUOFYLRNUXUCG-DOTOQJQBSA-N 1 0 309.454 1.276 50 0 DDAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCOC[C@@H](O)C1 ZINC000077303797 406984683 /nfs/dbraw/zinc/98/46/83/406984683.db2.gz RDCCJLSLKAJNFE-KRWDZBQOSA-N 1 0 318.417 1.086 50 0 DDAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1nc2ccccc2s1 ZINC000077455704 406991086 /nfs/dbraw/zinc/99/10/86/406991086.db2.gz WSYQFQJVBKZOJS-UHFFFAOYSA-N 1 0 316.386 1.470 50 0 DDAARO CSc1nc(C)cc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000077439576 406991299 /nfs/dbraw/zinc/99/12/99/406991299.db2.gz FBYLOFOPINDZGS-CQSZACIVSA-N 1 0 322.478 1.932 50 0 DDAARO Cc1occc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000040541093 407004474 /nfs/dbraw/zinc/00/44/74/407004474.db2.gz AVIIJBXZYKWTKH-UHFFFAOYSA-N 1 0 314.389 1.665 50 0 DDAARO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1C1CCCCC1)NC[C@@H]1CCCO1 ZINC000084543903 407090320 /nfs/dbraw/zinc/09/03/20/407090320.db2.gz XYWGZSMHGNOPGX-OWCLPIDISA-N 1 0 310.438 1.297 50 0 DDAARO CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000084747621 407094664 /nfs/dbraw/zinc/09/46/64/407094664.db2.gz BUSAGCDVARGIMP-ZDUSSCGKSA-N 1 0 310.419 1.432 50 0 DDAARO O=C(NCc1ccoc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047088561 407069854 /nfs/dbraw/zinc/06/98/54/407069854.db2.gz ZVZAWGNQAIGZDE-UHFFFAOYSA-N 1 0 307.394 1.533 50 0 DDAARO COCCC1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000089410102 407133788 /nfs/dbraw/zinc/13/37/88/407133788.db2.gz YSRNVYBRNZRGJI-HNNXBMFYSA-N 1 0 309.454 1.977 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000051158392 407136446 /nfs/dbraw/zinc/13/64/46/407136446.db2.gz YAUUHZPZSUQLIX-HZPDHXFCSA-N 1 0 323.481 1.873 50 0 DDAARO CCc1ccccc1OCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000055090967 407193510 /nfs/dbraw/zinc/19/35/10/407193510.db2.gz NFXHSIUNRJBRQM-CABCVRRESA-N 1 0 306.406 1.199 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000053254646 407166087 /nfs/dbraw/zinc/16/60/87/407166087.db2.gz QWENBJFJWZBWHJ-VIFPVBQESA-N 1 0 324.324 1.616 50 0 DDAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846017 407175059 /nfs/dbraw/zinc/17/50/59/407175059.db2.gz OZHYNWNFKOPDGL-CQSZACIVSA-N 1 0 321.465 1.768 50 0 DDAARO CC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000096404597 407260532 /nfs/dbraw/zinc/26/05/32/407260532.db2.gz WENOHAYUYPMAPN-OAHLLOKOSA-N 1 0 322.453 1.313 50 0 DDAARO CCCN(Cc1ccccc1OC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000055271337 407199338 /nfs/dbraw/zinc/19/93/38/407199338.db2.gz MQVRCXDQMREPJR-OAHLLOKOSA-N 1 0 306.406 1.812 50 0 DDAARO Cc1noc(C)c1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000096413483 407261366 /nfs/dbraw/zinc/26/13/66/407261366.db2.gz OYCGFEHCLCURAW-CYBMUJFWSA-N 1 0 322.409 1.467 50 0 DDAARO CN1C(=O)CC[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000057355459 407215157 /nfs/dbraw/zinc/21/51/57/407215157.db2.gz XDXFMVFAWRPMTE-WBVHZDCISA-N 1 0 317.433 1.664 50 0 DDAARO Cn1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2ccccc21 ZINC000058333250 407220002 /nfs/dbraw/zinc/22/00/02/407220002.db2.gz QRPNUWTXIFGSDM-CABCVRRESA-N 1 0 313.401 1.771 50 0 DDAARO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O ZINC000095985346 407221224 /nfs/dbraw/zinc/22/12/24/407221224.db2.gz AEEMHPMZOPPQAZ-KCJUWKMLSA-N 1 0 302.371 1.144 50 0 DDAARO CC(C)C[C@@H]([NH2+]C1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000095991758 407222059 /nfs/dbraw/zinc/22/20/59/407222059.db2.gz BWHWZIYMYFGNOF-LLVKDONJSA-N 1 0 306.370 1.711 50 0 DDAARO C[N@H+](CCc1ccncc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095999370 407222725 /nfs/dbraw/zinc/22/27/25/407222725.db2.gz DVVGGTRKUMEJOP-HNNXBMFYSA-N 1 0 311.451 1.228 50 0 DDAARO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC2(CCCCC2)CC1 ZINC000061820908 407230452 /nfs/dbraw/zinc/23/04/52/407230452.db2.gz PUOUVJDWCVHUPP-CYBMUJFWSA-N 1 0 316.467 1.321 50 0 DDAARO C[C@@]1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000062888904 407231454 /nfs/dbraw/zinc/23/14/54/407231454.db2.gz MCPNBAXIGVQUJR-MRXNPFEDSA-N 1 0 307.825 1.988 50 0 DDAARO C[C@@H](C(=O)NCCC(=O)Nc1ccncc1)[NH+]1CCCCCC1 ZINC000096436274 407265909 /nfs/dbraw/zinc/26/59/09/407265909.db2.gz OMEABTANNBZZMF-AWEZNQCLSA-N 1 0 318.421 1.791 50 0 DDAARO O=C1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)CCN1 ZINC000096483215 407271563 /nfs/dbraw/zinc/27/15/63/407271563.db2.gz WFOVGIHHJSSSSR-UHFFFAOYSA-N 1 0 302.296 1.950 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)Cn2nc3ccccc3n2)CC1 ZINC000067714825 407281099 /nfs/dbraw/zinc/28/10/99/407281099.db2.gz GRLCZGRMTASHNV-UHFFFAOYSA-N 1 0 315.421 1.670 50 0 DDAARO COC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 ZINC000097110597 407281323 /nfs/dbraw/zinc/28/13/23/407281323.db2.gz GLVTVAACGBMRGY-QWHCGFSZSA-N 1 0 316.423 1.228 50 0 DDAARO C[NH+]1CCC(CCC(=O)N[C@H](CO)Cc2ccccc2)CC1 ZINC000097137174 407282067 /nfs/dbraw/zinc/28/20/67/407282067.db2.gz FXCKDXAFBWOWQK-KRWDZBQOSA-N 1 0 304.434 1.828 50 0 DDAARO Cc1nn(CCC(N)=O)c(C)c1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000067770221 407282940 /nfs/dbraw/zinc/28/29/40/407282940.db2.gz PDXNGFTVGBJZCC-CYBMUJFWSA-N 1 0 314.389 1.305 50 0 DDAARO CC(C)Oc1cncc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000097163602 407283857 /nfs/dbraw/zinc/28/38/57/407283857.db2.gz ZJFMUVMAWGLASU-UHFFFAOYSA-N 1 0 306.410 1.565 50 0 DDAARO CC[N@@H+]1CCO[C@H](CCNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000067772652 407283990 /nfs/dbraw/zinc/28/39/90/407283990.db2.gz YVJSMNXZINVBQY-CQSZACIVSA-N 1 0 320.389 1.185 50 0 DDAARO CCn1cnnc1CCNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067784028 407284238 /nfs/dbraw/zinc/28/42/38/407284238.db2.gz RMINHJILTRDNMK-ZDUSSCGKSA-N 1 0 315.425 1.518 50 0 DDAARO Cc1csc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067804446 407285775 /nfs/dbraw/zinc/28/57/75/407285775.db2.gz BPOCXUZXXAVXRT-UHFFFAOYSA-N 1 0 300.449 1.821 50 0 DDAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]CC1CC1 ZINC000067850174 407287271 /nfs/dbraw/zinc/28/72/71/407287271.db2.gz HAOYBKULXDKHIK-LJQANCHMSA-N 1 0 316.445 1.972 50 0 DDAARO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c[nH]1 ZINC000097236846 407289812 /nfs/dbraw/zinc/28/98/12/407289812.db2.gz DTKQWYOLFMSFCU-ZDUSSCGKSA-N 1 0 316.405 1.990 50 0 DDAARO O=C(CCc1cccs1)N1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097288731 407290075 /nfs/dbraw/zinc/29/00/75/407290075.db2.gz GISAGHRZAFXQAW-AWEZNQCLSA-N 1 0 322.474 1.891 50 0 DDAARO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC000097379725 407293349 /nfs/dbraw/zinc/29/33/49/407293349.db2.gz DZDOWNJUMAWDKQ-AGIUHOORSA-N 1 0 315.439 1.508 50 0 DDAARO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC(C)C)C2CC2)C1 ZINC000097466776 407298766 /nfs/dbraw/zinc/29/87/66/407298766.db2.gz BCYNNFWCGJUGCK-AWEZNQCLSA-N 1 0 310.438 1.909 50 0 DDAARO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC(C)C)C2CC2)C1 ZINC000097466774 407298862 /nfs/dbraw/zinc/29/88/62/407298862.db2.gz BCYNNFWCGJUGCK-CQSZACIVSA-N 1 0 310.438 1.909 50 0 DDAARO OCCOc1ccccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC000097772680 407302503 /nfs/dbraw/zinc/30/25/03/407302503.db2.gz AKAWKFJYFYAVEZ-HNNXBMFYSA-N 1 0 307.390 1.174 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2ccncc2)CC1 ZINC000098010004 407304024 /nfs/dbraw/zinc/30/40/24/407304024.db2.gz IEVWAICDCANVLB-XVWMLYKFSA-N 1 0 302.422 1.237 50 0 DDAARO C[C@H]([NH2+]Cc1nccc(N)n1)C1(N2CCOCC2)CCCC1 ZINC000125928954 407401819 /nfs/dbraw/zinc/40/18/19/407401819.db2.gz 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CC(=O)NCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000237323530 202231368 /nfs/dbraw/zinc/23/13/68/202231368.db2.gz BVAHUYXUGBDKRC-WBMJQRKESA-N 1 0 303.406 1.522 50 0 DDAARO Cc1nc(-c2cc(C(=O)N3CC[NH2+][C@@H](C)C3)n(C)c2)cs1 ZINC000237536745 202274528 /nfs/dbraw/zinc/27/45/28/202274528.db2.gz VLVMVPKVLCGWIA-JTQLQIEISA-N 1 0 304.419 1.891 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000237610709 202303616 /nfs/dbraw/zinc/30/36/16/202303616.db2.gz AWOHZFQHCIBQCR-GHMZBOCLSA-N 1 0 303.453 1.556 50 0 DDAARO Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H]([NH3+])C3)C2=O)cc1C ZINC000237629415 202310616 /nfs/dbraw/zinc/31/06/16/202310616.db2.gz IDJSXWFWTMXWCM-HIFRSBDPSA-N 1 0 301.390 1.216 50 0 DDAARO C[C@H](C[NH3+])N(C)C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000237637211 202311793 /nfs/dbraw/zinc/31/17/93/202311793.db2.gz DVAGWQZWXJQDOO-SECBINFHSA-N 1 0 310.785 1.289 50 0 DDAARO Cc1nc(CN2CCC(CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000237721467 202337498 /nfs/dbraw/zinc/33/74/98/202337498.db2.gz MQZAWEKUFFFCBG-HNNXBMFYSA-N 1 0 322.478 1.532 50 0 DDAARO C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC[NH2+]1 ZINC000237721185 202337748 /nfs/dbraw/zinc/33/77/48/202337748.db2.gz ZLHSDTDSNRHCRF-ZDUSSCGKSA-N 1 0 306.381 1.694 50 0 DDAARO C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC[NH2+]1 ZINC000237762255 202349457 /nfs/dbraw/zinc/34/94/57/202349457.db2.gz XJSFDPATETXVGB-JQWIXIFHSA-N 1 0 323.343 1.138 50 0 DDAARO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000237878420 202377553 /nfs/dbraw/zinc/37/75/53/202377553.db2.gz UFZDCPITAAHCBM-OLZOCXBDSA-N 1 0 308.813 1.511 50 0 DDAARO C[C@H](O)CN1CC2(CCC1=O)CC[NH+](Cc1cncn1C)CC2 ZINC000091305377 193037375 /nfs/dbraw/zinc/03/73/75/193037375.db2.gz JNICMRRHWPYTPN-AWEZNQCLSA-N 1 0 320.437 1.006 50 0 DDAARO CNc1cc(C)[nH+]c(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1 ZINC000091381408 193048497 /nfs/dbraw/zinc/04/84/97/193048497.db2.gz VUCISDGHIITGMX-PXAZEXFGSA-N 1 0 320.437 1.831 50 0 DDAARO COCCN(C)C[C@@H]1C[N@H+](Cc2ccc(C)s2)C[C@@H]1CO ZINC000091444521 193055652 /nfs/dbraw/zinc/05/56/52/193055652.db2.gz WANFUFSOTMHNPQ-HUUCEWRRSA-N 1 0 312.479 1.675 50 0 DDAARO CCC[C@H]1CN(C(=O)c2cc3c(cc2C)OCCO3)C[C@@H]1[NH3+] ZINC000091536402 193070350 /nfs/dbraw/zinc/07/03/50/193070350.db2.gz SFSNWWRLILNBSB-JSGCOSHPSA-N 1 0 304.390 1.966 50 0 DDAARO Cc1ncc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(C)n1 ZINC000091602460 193078850 /nfs/dbraw/zinc/07/88/50/193078850.db2.gz UBAMSGQERGQTAB-ZBFHGGJFSA-N 1 0 320.437 1.258 50 0 DDAARO Nc1nc(CCC(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000091707329 193095298 /nfs/dbraw/zinc/09/52/98/193095298.db2.gz SPYRZOIYNYMIOP-KGLIPLIRSA-N 1 0 316.430 1.611 50 0 DDAARO Cc1cc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)nc(N)[nH+]1 ZINC000091724587 193097178 /nfs/dbraw/zinc/09/71/78/193097178.db2.gz XWGHYRCZIBPHHE-LBPRGKRZSA-N 1 0 303.410 1.595 50 0 DDAARO Cc1cc(C)c2[nH]c(CN3C[C@H]([NH3+])[C@@H](CCO)C3)cc(=O)c2c1 ZINC000091819920 193112157 /nfs/dbraw/zinc/11/21/57/193112157.db2.gz PWHQQZHKDIIKRT-BBRMVZONSA-N 1 0 315.417 1.286 50 0 DDAARO COc1c(C)cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1C ZINC000091829995 193114142 /nfs/dbraw/zinc/11/41/42/193114142.db2.gz QCHIBJZDZKGSGJ-CABCVRRESA-N 1 0 324.446 1.670 50 0 DDAARO C/C=C(\C)C[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C)[C@@H](C2CC2)C1 ZINC000091848745 193117423 /nfs/dbraw/zinc/11/74/23/193117423.db2.gz OPOCUPMBITVPTP-ZPIZQRTESA-N 1 0 316.449 1.984 50 0 DDAARO Cn1cccc1C[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683263 193288471 /nfs/dbraw/zinc/28/84/71/193288471.db2.gz BRAZHPHLXAERBP-LLVKDONJSA-N 1 0 303.328 1.916 50 0 DDAARO CCC[NH+]1CCN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000015786176 182017266 /nfs/dbraw/zinc/01/72/66/182017266.db2.gz YCTWPKJKNCMUQN-HNNXBMFYSA-N 1 0 318.417 1.801 50 0 DDAARO O=C(c1cc2ccccc2[nH]c1=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067789135 296194515 /nfs/dbraw/zinc/19/45/15/296194515.db2.gz VPTJJMDWWCLDRS-GOSISDBHSA-N 1 0 311.385 1.744 50 0 DDAARO Cc1cccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)c1 ZINC000018222412 182099405 /nfs/dbraw/zinc/09/94/05/182099405.db2.gz HUIVJABWRLZTAE-ZBFHGGJFSA-N 1 0 316.401 1.864 50 0 DDAARO Cc1nc[nH]c1C[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C ZINC000019740549 182142208 /nfs/dbraw/zinc/14/22/08/182142208.db2.gz UCFNAYPXTXEEHU-UHFFFAOYSA-N 1 0 319.409 1.355 50 0 DDAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000019972529 182172584 /nfs/dbraw/zinc/17/25/84/182172584.db2.gz XIHGBYUFMRYCCL-HNNXBMFYSA-N 1 0 315.373 1.809 50 0 DDAARO CCOc1ccc(C(=O)O[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000020266583 182202187 /nfs/dbraw/zinc/20/21/87/182202187.db2.gz ORJYUGXIZORXEC-CQSZACIVSA-N 1 0 306.406 1.878 50 0 DDAARO COC(=O)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000020406887 182214996 /nfs/dbraw/zinc/21/49/96/182214996.db2.gz YEQAXOWFUSCMFK-HNNXBMFYSA-N 1 0 302.374 1.784 50 0 DDAARO CCC[NH+]1CCN(CCCNc2ncnc3onc(C)c32)CC1 ZINC000020575168 182234943 /nfs/dbraw/zinc/23/49/43/182234943.db2.gz XYUPBVSFRYFNKD-UHFFFAOYSA-N 1 0 318.425 1.756 50 0 DDAARO COc1ccc(C[NH2+]CCOCCO)cc1Br ZINC000020927766 182254299 /nfs/dbraw/zinc/25/42/99/182254299.db2.gz MIMBDCHJDUSZSW-UHFFFAOYSA-N 1 0 304.184 1.556 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000021095610 182265544 /nfs/dbraw/zinc/26/55/44/182265544.db2.gz OOXGCFSADQRRLY-UHFFFAOYSA-N 1 0 315.417 1.216 50 0 DDAARO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n(C)c1=O ZINC000040528280 183093441 /nfs/dbraw/zinc/09/34/41/183093441.db2.gz DRQNXCMCECCVSV-CYBMUJFWSA-N 1 0 305.403 1.483 50 0 DDAARO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000040534765 183094456 /nfs/dbraw/zinc/09/44/56/183094456.db2.gz LFFUUTAPEQZAPU-LSDHHAIUSA-N 1 0 322.430 1.447 50 0 DDAARO Cc1cc(C)c(OCCN2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000040456317 183069266 /nfs/dbraw/zinc/06/92/66/183069266.db2.gz DWIVAEYIEWOTOB-UHFFFAOYSA-N 1 0 312.841 1.946 50 0 DDAARO Cc1c(Cl)c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nn1C ZINC000333778397 249103182 /nfs/dbraw/zinc/10/31/82/249103182.db2.gz DJPAALLJWLGMBL-NWDGAFQWSA-N 1 0 310.829 1.986 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 ZINC000040597571 183107596 /nfs/dbraw/zinc/10/75/96/183107596.db2.gz OFDPXVZUBAGYKW-LBPRGKRZSA-N 1 0 302.465 1.985 50 0 DDAARO Cc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000040731325 183126019 /nfs/dbraw/zinc/12/60/19/183126019.db2.gz KMKWSUDUJSJMKT-UHFFFAOYSA-N 1 0 304.415 1.975 50 0 DDAARO COc1cc(OC)cc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000041568724 183204488 /nfs/dbraw/zinc/20/44/88/183204488.db2.gz QCBZWBWCAUEWCO-UHFFFAOYSA-N 1 0 322.405 1.546 50 0 DDAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCCN(Cc2cccs2)CC1 ZINC000106107694 194185557 /nfs/dbraw/zinc/18/55/57/194185557.db2.gz BJOFUDRWJPZYOH-OAHLLOKOSA-N 1 0 320.462 1.513 50 0 DDAARO Cn1cnnc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057155018 184028482 /nfs/dbraw/zinc/02/84/82/184028482.db2.gz PZZMUMZKFXKIAV-HNNXBMFYSA-N 1 0 313.405 1.344 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057720421 184049539 /nfs/dbraw/zinc/04/95/39/184049539.db2.gz VHKKYOMKFSTXFY-GFCCVEGCSA-N 1 0 324.446 1.611 50 0 DDAARO C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)[NH+]1CCC(C)CC1 ZINC000058201656 184087176 /nfs/dbraw/zinc/08/71/76/184087176.db2.gz LTIZSHATCUEEHH-GFCCVEGCSA-N 1 0 301.394 1.808 50 0 DDAARO COCCOc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058210811 184088550 /nfs/dbraw/zinc/08/85/50/184088550.db2.gz HGBMVIZAFKZFPW-AWEZNQCLSA-N 1 0 321.421 1.567 50 0 DDAARO COC(=O)[C@@H](C)C[N@H+](CC(=O)NCC1CC1)Cc1ccccc1 ZINC000058393093 184111899 /nfs/dbraw/zinc/11/18/99/184111899.db2.gz OCRWWBBOQABDPZ-AWEZNQCLSA-N 1 0 318.417 1.824 50 0 DDAARO O=C(Cn1cccn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058377612 184109985 /nfs/dbraw/zinc/10/99/85/184109985.db2.gz PMGAUDUDEUFVCN-KRWDZBQOSA-N 1 0 312.417 1.912 50 0 DDAARO COCC[NH+]1CCC(NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000058308138 184103721 /nfs/dbraw/zinc/10/37/21/184103721.db2.gz UYVGTNZZNIBKMN-UHFFFAOYSA-N 1 0 302.378 1.404 50 0 DDAARO O=C(NCc1ccc(F)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058441452 184119001 /nfs/dbraw/zinc/11/90/01/184119001.db2.gz OAVLVSJLTHYYKR-CABCVRRESA-N 1 0 307.369 1.488 50 0 DDAARO Cc1csc(SCC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)n1 ZINC000065385143 184333115 /nfs/dbraw/zinc/33/31/15/184333115.db2.gz BITXNVXDEZSSLV-MNOVXSKESA-N 1 0 315.464 1.067 50 0 DDAARO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1nncn1C ZINC000065437150 184345632 /nfs/dbraw/zinc/34/56/32/184345632.db2.gz KIRQDNRTXVERLI-QWHCGFSZSA-N 1 0 306.414 1.146 50 0 DDAARO CNc1ncc(CN(C)c2nc(N(C)C)[nH+]c(C)c2C)cn1 ZINC000065461868 184348738 /nfs/dbraw/zinc/34/87/38/184348738.db2.gz YGGFNQAWXYWYCB-UHFFFAOYSA-N 1 0 301.398 1.628 50 0 DDAARO CCn1cc(C2CC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)cn1 ZINC000065462694 184349040 /nfs/dbraw/zinc/34/90/40/184349040.db2.gz MXNWVTIPLPROPV-CQSZACIVSA-N 1 0 320.437 1.330 50 0 DDAARO CCc1ccccc1N1C[C@@H](C(=O)NCC[N@@H+](C)CC)CC1=O ZINC000065405989 184338689 /nfs/dbraw/zinc/33/86/89/184338689.db2.gz FJPGDITZMCNZNY-HNNXBMFYSA-N 1 0 317.433 1.670 50 0 DDAARO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000065552551 184364792 /nfs/dbraw/zinc/36/47/92/184364792.db2.gz CLVGTTQSFWWYPO-ZDUSSCGKSA-N 1 0 313.405 1.583 50 0 DDAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccccc2)C1 ZINC000065503000 184356347 /nfs/dbraw/zinc/35/63/47/184356347.db2.gz YRNBDTZMSXIPJT-AWEZNQCLSA-N 1 0 303.406 1.263 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2CCC(Cn3cccn3)CC2)CC1 ZINC000065623810 184374736 /nfs/dbraw/zinc/37/47/36/184374736.db2.gz BGXBMEOSZAIHTA-SFHVURJKSA-N 1 0 320.481 1.688 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccsc1 ZINC000065625566 184375612 /nfs/dbraw/zinc/37/56/12/184375612.db2.gz FDJVUCXLIVUNNN-ZDUSSCGKSA-N 1 0 324.450 1.258 50 0 DDAARO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 ZINC000155057017 197017705 /nfs/dbraw/zinc/01/77/05/197017705.db2.gz WJMSSGSOSPMCIW-UHFFFAOYSA-N 1 0 304.394 1.273 50 0 DDAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095377912 257272017 /nfs/dbraw/zinc/27/20/17/257272017.db2.gz KCHIEXOVAOLZFU-AWEZNQCLSA-N 1 0 306.406 1.829 50 0 DDAARO Cc1ccccc1O[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343304592 257237371 /nfs/dbraw/zinc/23/73/71/257237371.db2.gz IYYHAVLLZPRCCA-HZPDHXFCSA-N 1 0 317.433 1.268 50 0 DDAARO CS[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000270604693 257237886 /nfs/dbraw/zinc/23/78/86/257237886.db2.gz DLSUJEPFEWFJQM-HUUCEWRRSA-N 1 0 307.463 1.870 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2ccc(-c3ncon3)cc2)[C@@H]1C[NH3+] ZINC000237440990 257238823 /nfs/dbraw/zinc/23/88/23/257238823.db2.gz UZHCGSDBPGQJAL-BXUZGUMPSA-N 1 0 300.362 1.936 50 0 DDAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCN1c2ccccc2CCC1=O ZINC000237470006 257239611 /nfs/dbraw/zinc/23/96/11/257239611.db2.gz RAJIZZPSEVYUDU-HIFRSBDPSA-N 1 0 315.417 1.694 50 0 DDAARO CC(C)n1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000521394361 257241422 /nfs/dbraw/zinc/24/14/22/257241422.db2.gz LENOYUJKIHTRJJ-HUUCEWRRSA-N 1 0 306.410 1.399 50 0 DDAARO C[N@@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H]1c1ccccc1 ZINC000366377402 257260848 /nfs/dbraw/zinc/26/08/48/257260848.db2.gz RQKKWGSBGJXTBL-AEFFLSMTSA-N 1 0 310.401 1.971 50 0 DDAARO O=S1(=O)CC[C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000071825188 184855690 /nfs/dbraw/zinc/85/56/90/184855690.db2.gz QDKKBLZWHPSNBI-JTQLQIEISA-N 1 0 313.810 1.512 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000126007441 195802159 /nfs/dbraw/zinc/80/21/59/195802159.db2.gz VPSFINKZWZETLC-NSHDSACASA-N 1 0 311.389 1.783 50 0 DDAARO COc1cccc(CNC(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000426392827 533496778 /nfs/dbraw/zinc/49/67/78/533496778.db2.gz ONWRDTKKLPGHGM-HNNXBMFYSA-N 1 0 321.421 1.415 50 0 DDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2CCCCC2)CC1 ZINC000001431416 406668983 /nfs/dbraw/zinc/66/89/83/406668983.db2.gz XRPHRQIEZPNCLX-UHFFFAOYSA-N 1 0 321.465 1.899 50 0 DDAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069310255 406694066 /nfs/dbraw/zinc/69/40/66/406694066.db2.gz REPYEDBKLIIPGB-ZNMIVQPWSA-N 1 0 310.438 1.861 50 0 DDAARO COCCOc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069570934 406736227 /nfs/dbraw/zinc/73/62/27/406736227.db2.gz ZLAQXXXQCZMAEP-ZDUSSCGKSA-N 1 0 319.405 1.321 50 0 DDAARO Cn1cnc2c1CC[N@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000069588213 406738449 /nfs/dbraw/zinc/73/84/49/406738449.db2.gz UFJWZZIKRSOBRJ-UHFFFAOYSA-N 1 0 310.401 1.758 50 0 DDAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000069621827 406746049 /nfs/dbraw/zinc/74/60/49/406746049.db2.gz SMFGFDXACVANBN-GFCCVEGCSA-N 1 0 302.426 1.966 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000069700900 406757774 /nfs/dbraw/zinc/75/77/74/406757774.db2.gz GNGUJAJLQULDFB-HNNXBMFYSA-N 1 0 321.421 1.588 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)CCc2ccncc2)CC1 ZINC000069773108 406767655 /nfs/dbraw/zinc/76/76/55/406767655.db2.gz ZHZNLBJJUUSDTD-MRXNPFEDSA-N 1 0 319.449 1.565 50 0 DDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC000069455054 406715165 /nfs/dbraw/zinc/71/51/65/406715165.db2.gz ATFLHHAUVOHSCA-OCCSQVGLSA-N 1 0 305.426 1.736 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000069490154 406723886 /nfs/dbraw/zinc/72/38/86/406723886.db2.gz DUTLDTPCIPOLCP-CQSZACIVSA-N 1 0 300.410 1.760 50 0 DDAARO CC[N@@H+](Cc1cn2cccc(C(=O)OC)c2n1)C[C@@H]1CCOC1 ZINC000069844658 406779188 /nfs/dbraw/zinc/77/91/88/406779188.db2.gz MFMRKQXPMSXQRC-ZDUSSCGKSA-N 1 0 317.389 1.979 50 0 DDAARO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000008188288 406780121 /nfs/dbraw/zinc/78/01/21/406780121.db2.gz BCEQAJOMZHTGNU-CABCVRRESA-N 1 0 323.389 1.060 50 0 DDAARO O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069899336 406788371 /nfs/dbraw/zinc/78/83/71/406788371.db2.gz YFFWYZOWVGITBT-CVEARBPZSA-N 1 0 301.390 1.787 50 0 DDAARO COC(=O)[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000008729769 406791923 /nfs/dbraw/zinc/79/19/23/406791923.db2.gz VQCDWKWEVDUUHN-OAHLLOKOSA-N 1 0 316.401 1.673 50 0 DDAARO C[NH+](C)CCCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000008686297 406792387 /nfs/dbraw/zinc/79/23/87/406792387.db2.gz VTSUIRRRYPJICY-UHFFFAOYSA-N 1 0 302.378 1.336 50 0 DDAARO Cc1oc(-c2ccco2)nc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000070038722 406806000 /nfs/dbraw/zinc/80/60/00/406806000.db2.gz SBDOKLGEXRTVFQ-LBPRGKRZSA-N 1 0 305.378 1.741 50 0 DDAARO Cc1nc2ccccn2c1CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000071614715 406840313 /nfs/dbraw/zinc/84/03/13/406840313.db2.gz OXNQJSVSPHUGEC-HNNXBMFYSA-N 1 0 312.417 1.882 50 0 DDAARO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000071310497 406837039 /nfs/dbraw/zinc/83/70/39/406837039.db2.gz OSLFWGZBTOWHMH-SECBINFHSA-N 1 0 309.218 1.976 50 0 DDAARO CCc1cc(Cn2nc(CC3CC[NH2+]CC3)n(CC)c2=O)on1 ZINC000071388513 406838822 /nfs/dbraw/zinc/83/88/22/406838822.db2.gz JADJSYHPZACBMO-UHFFFAOYSA-N 1 0 319.409 1.206 50 0 DDAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000012596034 406847697 /nfs/dbraw/zinc/84/76/97/406847697.db2.gz FEZYPNRNGYLYHF-CABCVRRESA-N 1 0 323.389 1.060 50 0 DDAARO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(C)(C)C ZINC000027035574 406908366 /nfs/dbraw/zinc/90/83/66/406908366.db2.gz JZHPHHZHCWLXSM-GHMZBOCLSA-N 1 0 319.405 1.971 50 0 DDAARO O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839746 406851426 /nfs/dbraw/zinc/85/14/26/406851426.db2.gz XLCDHIYTBOGLTG-CYBMUJFWSA-N 1 0 314.389 1.026 50 0 DDAARO CN(CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cn1 ZINC000071839729 406851830 /nfs/dbraw/zinc/85/18/30/406851830.db2.gz LNRLYMDDEXGOTO-CQSZACIVSA-N 1 0 322.840 1.868 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC000071864643 406855729 /nfs/dbraw/zinc/85/57/29/406855729.db2.gz QAFBWPAMIVUSQX-VXGBXAGGSA-N 1 0 306.366 1.217 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000071870466 406856796 /nfs/dbraw/zinc/85/67/96/406856796.db2.gz XEFXRKGZCKPPLB-GJZGRUSLSA-N 1 0 302.422 1.987 50 0 DDAARO Cc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1C ZINC000015071598 406878417 /nfs/dbraw/zinc/87/84/17/406878417.db2.gz XFHLOTFDKOJJEL-RTBURBONSA-N 1 0 318.461 1.695 50 0 DDAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300610 406880983 /nfs/dbraw/zinc/88/09/83/406880983.db2.gz BDBLHOPMCOTIET-SMDDNHRTSA-N 1 0 314.455 1.256 50 0 DDAARO Cn1ncc(N2CCC(C[NH2+][C@H]3CCSC3)CC2)cc1=O ZINC000023505980 406891359 /nfs/dbraw/zinc/89/13/59/406891359.db2.gz HMTIKNOSSRLHNC-ZDUSSCGKSA-N 1 0 308.451 1.092 50 0 DDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCCC1 ZINC000012314272 406841175 /nfs/dbraw/zinc/84/11/75/406841175.db2.gz PWXHOIQCAJLDOP-QGZVFWFLSA-N 1 0 306.381 1.775 50 0 DDAARO O=C(CCn1cncn1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012458087 406845428 /nfs/dbraw/zinc/84/54/28/406845428.db2.gz LXCMCWRSZATQSQ-MRXNPFEDSA-N 1 0 319.453 1.829 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000036265113 406978097 /nfs/dbraw/zinc/97/80/97/406978097.db2.gz ICIDLRRAYQXMFI-KBPBESRZSA-N 1 0 312.435 1.249 50 0 DDAARO CCNC(=O)NC(=O)C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030267581 406930106 /nfs/dbraw/zinc/93/01/06/406930106.db2.gz XMMHFUJIQKWYQC-UHFFFAOYSA-N 1 0 311.357 1.372 50 0 DDAARO Cc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000032401027 406948025 /nfs/dbraw/zinc/94/80/25/406948025.db2.gz QAQLUEPNBQVDAR-UHFFFAOYSA-N 1 0 312.417 1.907 50 0 DDAARO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc2ncccc21 ZINC000076062423 406953066 /nfs/dbraw/zinc/95/30/66/406953066.db2.gz SWRVLCWMQLVOTN-CYBMUJFWSA-N 1 0 319.430 1.950 50 0 DDAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000077521482 406994642 /nfs/dbraw/zinc/99/46/42/406994642.db2.gz MNHAGNBOBKGOLY-SFHVURJKSA-N 1 0 318.417 1.838 50 0 DDAARO Nc1ncccc1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000077515838 406994646 /nfs/dbraw/zinc/99/46/46/406994646.db2.gz OMKVAMNIXUNKCH-MRXNPFEDSA-N 1 0 304.438 1.741 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccccc2)nc1C ZINC000040457625 407003027 /nfs/dbraw/zinc/00/30/27/407003027.db2.gz OYUGYMVOZZJPEN-HNNXBMFYSA-N 1 0 313.405 1.790 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C(=O)CC)C2)CC1 ZINC000084755287 407094426 /nfs/dbraw/zinc/09/44/26/407094426.db2.gz HGFCKDZOBDZKFP-HNNXBMFYSA-N 1 0 324.469 1.419 50 0 DDAARO Cc1nn(C)c2ncc(C[NH2+][C@H](C)CN3CCOCC3)cc12 ZINC000048353492 407096301 /nfs/dbraw/zinc/09/63/01/407096301.db2.gz UJGIBLXEHZKGPL-GFCCVEGCSA-N 1 0 303.410 1.087 50 0 DDAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)c1ccc(Cl)s1 ZINC000085470243 407102213 /nfs/dbraw/zinc/10/22/13/407102213.db2.gz HBXYVDKOKBBGNL-JTQLQIEISA-N 1 0 318.826 1.167 50 0 DDAARO CN1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000085503167 407103520 /nfs/dbraw/zinc/10/35/20/407103520.db2.gz JPLHJJZIOGDWFJ-INIZCTEOSA-N 1 0 303.406 1.552 50 0 DDAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262568 407071891 /nfs/dbraw/zinc/07/18/91/407071891.db2.gz CPHFFUVZJUXFPR-SECBINFHSA-N 1 0 310.785 1.259 50 0 DDAARO Cc1c(C(=O)NCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000051318177 407139176 /nfs/dbraw/zinc/13/91/76/407139176.db2.gz CLUSJZBTSWTDGF-UHFFFAOYSA-N 1 0 307.785 1.521 50 0 DDAARO Cc1nc(CN2CCC[C@H]([N@H+](C)CCc3ccncc3)C2)no1 ZINC000089718348 407145193 /nfs/dbraw/zinc/14/51/93/407145193.db2.gz IGWAROORDBMRBT-INIZCTEOSA-N 1 0 315.421 1.912 50 0 DDAARO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000052093464 407147891 /nfs/dbraw/zinc/14/78/91/407147891.db2.gz BLOUVAHKSWSPGO-QMMMGPOBSA-N 1 0 310.297 1.225 50 0 DDAARO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](O)C1 ZINC000052635956 407155421 /nfs/dbraw/zinc/15/54/21/407155421.db2.gz HFZXFTICNIOPHE-RDJZCZTQSA-N 1 0 317.433 1.180 50 0 DDAARO C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000089937860 407160181 /nfs/dbraw/zinc/16/01/81/407160181.db2.gz DNVXKCQWIQIGEB-NVXWUHKLSA-N 1 0 316.449 1.456 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccs2)C1 ZINC000053250271 407165216 /nfs/dbraw/zinc/16/52/16/407165216.db2.gz LGDPYHPMEGBTRJ-ZDUSSCGKSA-N 1 0 311.451 1.904 50 0 DDAARO C[NH+](C)CCNC(=O)c1ccc(CSc2ncccn2)o1 ZINC000055369180 407201930 /nfs/dbraw/zinc/20/19/30/407201930.db2.gz JOIQHPQKFXXHGW-UHFFFAOYSA-N 1 0 306.391 1.653 50 0 DDAARO Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055393606 407203483 /nfs/dbraw/zinc/20/34/83/407203483.db2.gz RHBCPEXUUYOHDE-CYBMUJFWSA-N 1 0 323.824 1.462 50 0 DDAARO CC(=O)N[C@@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cccs1 ZINC000055718982 407206377 /nfs/dbraw/zinc/20/63/77/407206377.db2.gz ASOHZGQUNXYQIB-KBPBESRZSA-N 1 0 323.462 1.772 50 0 DDAARO O=C(NCCN1CCOC1=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095361435 407208990 /nfs/dbraw/zinc/20/89/90/407208990.db2.gz FZMNQSJKCLFMIC-HNNXBMFYSA-N 1 0 317.389 1.336 50 0 DDAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnc(-c3cccnc3)nc1)C2 ZINC000095361517 407209357 /nfs/dbraw/zinc/20/93/57/407209357.db2.gz KEUDTHKGEOECPI-JKSUJKDBSA-N 1 0 323.400 1.847 50 0 DDAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2nc(CSC)no2)C1 ZINC000095371122 407209764 /nfs/dbraw/zinc/20/97/64/407209764.db2.gz DMRNJSLHELAXMA-AWEZNQCLSA-N 1 0 312.439 1.671 50 0 DDAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)n(C)n1 ZINC000095386539 407213435 /nfs/dbraw/zinc/21/34/35/407213435.db2.gz MDWAGIAXCIDEFA-CQSZACIVSA-N 1 0 304.438 1.999 50 0 DDAARO CNC(=O)COc1cccc(C[NH2+]Cc2c(C)noc2C)c1 ZINC000095951430 407215736 /nfs/dbraw/zinc/21/57/36/407215736.db2.gz MTNNVRZBVKWYIE-UHFFFAOYSA-N 1 0 303.362 1.706 50 0 DDAARO [NH3+]Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000095951319 407215765 /nfs/dbraw/zinc/21/57/65/407215765.db2.gz HSLDLPDYTOQJQU-UHFFFAOYSA-N 1 0 311.385 1.813 50 0 DDAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)n1 ZINC000095951849 407216424 /nfs/dbraw/zinc/21/64/24/407216424.db2.gz KFPUTKLCPIOEFU-ZDUSSCGKSA-N 1 0 313.405 1.614 50 0 DDAARO CN(C)c1nccc(N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000095963232 407218135 /nfs/dbraw/zinc/21/81/35/407218135.db2.gz VABQPYNHJYSWQS-AWEZNQCLSA-N 1 0 319.453 1.480 50 0 DDAARO Cc1ccc(N2CCC(C(=O)N3CCC(C[NH3+])CC3)CC2)nc1 ZINC000095971482 407218846 /nfs/dbraw/zinc/21/88/46/407218846.db2.gz YITYKKVHIAAHII-UHFFFAOYSA-N 1 0 316.449 1.804 50 0 DDAARO COc1c(C[NH2+]C[C@@H](O)COc2cccc(F)c2)c(C)nn1C ZINC000058343025 407220916 /nfs/dbraw/zinc/22/09/16/407220916.db2.gz JKDQVYXSJLWVDI-CYBMUJFWSA-N 1 0 323.368 1.406 50 0 DDAARO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898404 407262629 /nfs/dbraw/zinc/26/26/29/407262629.db2.gz LIKLHAYAYNFTQQ-KRWDZBQOSA-N 1 0 317.433 1.508 50 0 DDAARO Cc1cc(N(C)C[C@@H]2CCCCO2)nc(N2CCOCC2)[nH+]1 ZINC000065527308 407244528 /nfs/dbraw/zinc/24/45/28/407244528.db2.gz UITGMUCOSJQCQN-AWEZNQCLSA-N 1 0 306.410 1.627 50 0 DDAARO CCn1c(=N)n(CC(=O)N2CCn3cncc3C2)c2ccccc21 ZINC000102685153 407325937 /nfs/dbraw/zinc/32/59/37/407325937.db2.gz KVTLATNQGWHDCH-UHFFFAOYSA-N 1 0 324.388 1.181 50 0 DDAARO c1ccc(OCC[NH+]2CCCCC2)c(CNN2CCOCC2)c1 ZINC000067604885 407277279 /nfs/dbraw/zinc/27/72/79/407277279.db2.gz YKWDMGQFPGNENT-UHFFFAOYSA-N 1 0 319.449 1.888 50 0 DDAARO C[C@@H](CCc1cccc(F)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000097084246 407278944 /nfs/dbraw/zinc/27/89/44/407278944.db2.gz CGYAMSWXELSSML-AWEZNQCLSA-N 1 0 308.397 1.937 50 0 DDAARO CC[N@H+](CCCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067688405 407279171 /nfs/dbraw/zinc/27/91/71/407279171.db2.gz UJCILPWKYAFYNM-UHFFFAOYSA-N 1 0 318.373 1.851 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccnc(C(C)C)n1 ZINC000067758439 407283111 /nfs/dbraw/zinc/28/31/11/407283111.db2.gz VKTXHJBAJBXTCD-JSGCOSHPSA-N 1 0 305.426 1.026 50 0 DDAARO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cnn(C)c2)c1 ZINC000097159104 407284013 /nfs/dbraw/zinc/28/40/13/407284013.db2.gz ZXIJULDRSSTNKD-UHFFFAOYSA-N 1 0 302.378 1.177 50 0 DDAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000067833546 407286045 /nfs/dbraw/zinc/28/60/45/407286045.db2.gz KJPLEVCDFFFSTO-CYBMUJFWSA-N 1 0 313.405 1.933 50 0 DDAARO Cc1c(-c2cc(C(=O)NC[C@H]3CCC[N@H+](C)C3)no2)cnn1C ZINC000067867849 407287969 /nfs/dbraw/zinc/28/79/69/407287969.db2.gz QYLSUVPRDQKWSO-GFCCVEGCSA-N 1 0 317.393 1.455 50 0 DDAARO CCn1c(C)cc(C)c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1=O ZINC000067946876 407291367 /nfs/dbraw/zinc/29/13/67/407291367.db2.gz SSNGMDXQEUJZPU-SFHVURJKSA-N 1 0 317.433 1.701 50 0 DDAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000067975252 407292665 /nfs/dbraw/zinc/29/26/65/407292665.db2.gz ILHGHOYTGUSOSN-CYBMUJFWSA-N 1 0 313.405 1.933 50 0 DDAARO Cc1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000097742851 407302493 /nfs/dbraw/zinc/30/24/93/407302493.db2.gz YGIKCGGIIRKVCU-AWEZNQCLSA-N 1 0 318.421 1.622 50 0 DDAARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000096998321 286833107 /nfs/dbraw/zinc/83/31/07/286833107.db2.gz ADYZWCOGXLBVTI-KBPBESRZSA-N 1 0 303.472 1.427 50 0 DDAARO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000195554743 407467704 /nfs/dbraw/zinc/46/77/04/407467704.db2.gz QCRSDGPOJVHOPT-JSGCOSHPSA-N 1 0 310.419 1.107 50 0 DDAARO COCc1cn(C[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000257187192 407483286 /nfs/dbraw/zinc/48/32/86/407483286.db2.gz 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C[NH2+]Cc1cn(CC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nn1 ZINC000019839320 182156042 /nfs/dbraw/zinc/15/60/42/182156042.db2.gz KOUXESZMIKGCGD-CQSZACIVSA-N 1 0 317.437 1.592 50 0 DDAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000020475487 182221818 /nfs/dbraw/zinc/22/18/18/182221818.db2.gz OOIREHOPLOJCKQ-SNVBAGLBSA-N 1 0 319.224 1.561 50 0 DDAARO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020565788 182233335 /nfs/dbraw/zinc/23/33/35/182233335.db2.gz FRVKNBYLRPHELK-WCQYABFASA-N 1 0 311.403 1.513 50 0 DDAARO COc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c(OC)c1 ZINC000020778519 182246598 /nfs/dbraw/zinc/24/65/98/182246598.db2.gz RNHMORFHYDELRI-INIZCTEOSA-N 1 0 322.449 1.981 50 0 DDAARO O=C(Cn1ccnc1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020778394 182246690 /nfs/dbraw/zinc/24/66/90/182246690.db2.gz SDPUILYBEIMTGA-PMPSAXMXSA-N 1 0 300.406 1.240 50 0 DDAARO C[C@H]1CCc2nn(CC(=O)NCCC[NH+]3CCCC3)cc2C1 ZINC000020865882 182250729 /nfs/dbraw/zinc/25/07/29/182250729.db2.gz 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ZINC000040506261 183085218 /nfs/dbraw/zinc/08/52/18/183085218.db2.gz GNEONKARACHCFF-STQMWFEESA-N 1 0 323.462 1.724 50 0 DDAARO CC(C)C[C@@H](CNc1ncnc2nc[nH]c21)[NH+]1CCOCC1 ZINC000040512414 183087663 /nfs/dbraw/zinc/08/76/63/183087663.db2.gz CMFIAMIOUHXVDL-LBPRGKRZSA-N 1 0 304.398 1.512 50 0 DDAARO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000040520401 183090281 /nfs/dbraw/zinc/09/02/81/183090281.db2.gz RZIARNRGIIZAGL-MNOVXSKESA-N 1 0 316.361 1.591 50 0 DDAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000042229467 183244574 /nfs/dbraw/zinc/24/45/74/183244574.db2.gz SQMHWLORVYHWHH-LBPRGKRZSA-N 1 0 300.341 1.781 50 0 DDAARO CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1cncn1 ZINC000042700082 183298059 /nfs/dbraw/zinc/29/80/59/183298059.db2.gz HKPIPVKYASDKAZ-UHFFFAOYSA-N 1 0 317.393 1.637 50 0 DDAARO CCn1nccc1C[NH+]1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 ZINC000284558395 218077991 /nfs/dbraw/zinc/07/79/91/218077991.db2.gz NCDGKILTNHHYAU-LSDHHAIUSA-N 1 0 306.410 1.005 50 0 DDAARO O[C@H](COc1ccccc1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057942180 184063292 /nfs/dbraw/zinc/06/32/92/184063292.db2.gz BSHCOVGEPUWMGI-WMZOPIPTSA-N 1 0 320.433 1.223 50 0 DDAARO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 ZINC000058391451 184111513 /nfs/dbraw/zinc/11/15/13/184111513.db2.gz RQQQWYLFAWKGRP-CYBMUJFWSA-N 1 0 301.394 1.727 50 0 DDAARO COc1c(C[NH2+]C[C@@H](O)c2ccc(OC)cc2)c(C)nn1C ZINC000058296366 184102512 /nfs/dbraw/zinc/10/25/12/184102512.db2.gz BTAVRAROGYRORH-OAHLLOKOSA-N 1 0 305.378 1.569 50 0 DDAARO CCNC(=O)c1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000058304924 184103012 /nfs/dbraw/zinc/10/30/12/184103012.db2.gz IGVDRAFVCWFTSI-AWEZNQCLSA-N 1 0 313.405 1.464 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c(C)nn1C ZINC000058314903 184104764 /nfs/dbraw/zinc/10/47/64/184104764.db2.gz VINVTSQFLXEUFE-ZDUSSCGKSA-N 1 0 323.368 1.406 50 0 DDAARO COc1c(C[NH2+]CCNC(=O)c2cccs2)c(C)nn1C ZINC000058405247 184113601 /nfs/dbraw/zinc/11/36/01/184113601.db2.gz YDPNZUUUEUYVPM-UHFFFAOYSA-N 1 0 308.407 1.318 50 0 DDAARO COc1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000061031396 184160582 /nfs/dbraw/zinc/16/05/82/184160582.db2.gz VJCXAOCXRVODHM-UHFFFAOYSA-N 1 0 306.406 1.847 50 0 DDAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000065255241 184318757 /nfs/dbraw/zinc/31/87/57/184318757.db2.gz LBOOXGQRYDUCKO-KRWDZBQOSA-N 1 0 313.401 1.946 50 0 DDAARO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000065255269 184318775 /nfs/dbraw/zinc/31/87/75/184318775.db2.gz XCJMKVFYGWHXNO-KRWDZBQOSA-N 1 0 312.417 1.949 50 0 DDAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1nncn1C1CCCCC1 ZINC000065381491 184331827 /nfs/dbraw/zinc/33/18/27/184331827.db2.gz LGAGFEFHBHVBJH-AWEZNQCLSA-N 1 0 307.442 1.594 50 0 DDAARO O=C(C[NH2+]C[C@@H](c1ccco1)N1CCCC1)Nc1cnccn1 ZINC000065380909 184332208 /nfs/dbraw/zinc/33/22/08/184332208.db2.gz AVOHDWSSNKYVRK-ZDUSSCGKSA-N 1 0 315.377 1.435 50 0 DDAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1ccncc1Cl ZINC000065426173 184342791 /nfs/dbraw/zinc/34/27/91/184342791.db2.gz 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Cc1nc(CN2CCC[C@@H]([NH2+]C[C@H](O)c3ccccc3)C2)no1 ZINC000072234596 406875151 /nfs/dbraw/zinc/87/51/51/406875151.db2.gz ZZIOJPSDVHDOKA-CVEARBPZSA-N 1 0 316.405 1.666 50 0 DDAARO O=C(CC[N@@H+]1CCC[C@H]1Cn1cncn1)NC1CCCCC1 ZINC000072268122 406876551 /nfs/dbraw/zinc/87/65/51/406876551.db2.gz SRILEOKRMIQPPX-HNNXBMFYSA-N 1 0 305.426 1.582 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000072300598 406880754 /nfs/dbraw/zinc/88/07/54/406880754.db2.gz BGFRXLUUOMMRFL-OCCSQVGLSA-N 1 0 322.434 1.094 50 0 DDAARO Cc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](CCO)CC1 ZINC000020358442 406887025 /nfs/dbraw/zinc/88/70/25/406887025.db2.gz ZRTLGNBPMWCSEP-UHFFFAOYSA-N 1 0 311.389 1.534 50 0 DDAARO Cc1noc(C)c1CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086879 406893526 /nfs/dbraw/zinc/89/35/26/406893526.db2.gz ANHPCQPUEDGMNV-UHFFFAOYSA-N 1 0 300.362 1.578 50 0 DDAARO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825527 406928380 /nfs/dbraw/zinc/92/83/80/406928380.db2.gz 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ZINC000045027067 407037129 /nfs/dbraw/zinc/03/71/29/407037129.db2.gz HOEVUGHEDLIHOT-OAHLLOKOSA-N 1 0 305.422 1.721 50 0 DDAARO O=C(CN1CCOC1=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077320074 406984360 /nfs/dbraw/zinc/98/43/60/406984360.db2.gz VQDFYEVJEMQJNY-UHFFFAOYSA-N 1 0 323.418 1.235 50 0 DDAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000077354859 406986282 /nfs/dbraw/zinc/98/62/82/406986282.db2.gz AIOUCJNYIXIMEK-IAGOWNOFSA-N 1 0 314.360 1.945 50 0 DDAARO COc1cccc(CC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000048286000 407094309 /nfs/dbraw/zinc/09/43/09/407094309.db2.gz AUHGUAPVKZBJCG-UHFFFAOYSA-N 1 0 306.406 1.466 50 0 DDAARO CN(C)C(=O)CC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000046503590 407060940 /nfs/dbraw/zinc/06/09/40/407060940.db2.gz MXXCSQZNYDUWBB-UHFFFAOYSA-N 1 0 316.405 1.445 50 0 DDAARO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000089107883 407123202 /nfs/dbraw/zinc/12/32/02/407123202.db2.gz UCPHHJJRNBWXBF-BXKDBHETSA-N 1 0 304.362 1.761 50 0 DDAARO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)C1=COCCC1 ZINC000089344570 407131935 /nfs/dbraw/zinc/13/19/35/407131935.db2.gz JGHLHLJRDIWJRM-UHFFFAOYSA-N 1 0 322.449 1.957 50 0 DDAARO Cc1cc(C)n(-c2cncc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)n1 ZINC000089595887 407141305 /nfs/dbraw/zinc/14/13/05/407141305.db2.gz RTLBRVCNNODPOX-OAHLLOKOSA-N 1 0 312.421 1.954 50 0 DDAARO CC(C)Oc1cccc(CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089939087 407160873 /nfs/dbraw/zinc/16/08/73/407160873.db2.gz RHVADWRHNODUQD-HNNXBMFYSA-N 1 0 319.449 1.726 50 0 DDAARO Cc1cccc(NC(=O)C[C@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])c1 ZINC000054114168 407178216 /nfs/dbraw/zinc/17/82/16/407178216.db2.gz QCUSWLXWXOKFIE-AWEZNQCLSA-N 1 0 307.394 1.318 50 0 DDAARO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000095372234 407210971 /nfs/dbraw/zinc/21/09/71/407210971.db2.gz QZKUNJMPLCIPAX-ZDUSSCGKSA-N 1 0 318.421 1.195 50 0 DDAARO CSCC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095385852 407212017 /nfs/dbraw/zinc/21/20/17/407212017.db2.gz ULHYTHJFQOQMDA-ZDUSSCGKSA-N 1 0 310.467 1.514 50 0 DDAARO OCC[NH2+]C1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000095944359 407216179 /nfs/dbraw/zinc/21/61/79/407216179.db2.gz GLBMOWNIDDAQFR-UHFFFAOYSA-N 1 0 312.417 1.618 50 0 DDAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)[C@H](C)O)CC1 ZINC000095964822 407218094 /nfs/dbraw/zinc/21/80/94/407218094.db2.gz HJLDZAIPEZMCHV-CVEARBPZSA-N 1 0 319.449 1.629 50 0 DDAARO COc1c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c(C)nn1C ZINC000095990175 407221668 /nfs/dbraw/zinc/22/16/68/407221668.db2.gz JRZNESTWDPIIAO-CYBMUJFWSA-N 1 0 301.394 1.501 50 0 DDAARO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC(=O)NC1 ZINC000096005641 407222614 /nfs/dbraw/zinc/22/26/14/407222614.db2.gz XYIYEAFLUVIGQU-LLVKDONJSA-N 1 0 313.195 1.826 50 0 DDAARO CC(C)(C)C(=O)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121051 407238374 /nfs/dbraw/zinc/23/83/74/407238374.db2.gz VYWQXGZEJUBZIV-UHFFFAOYSA-N 1 0 317.437 1.772 50 0 DDAARO C[NH+]1CCN(c2ccc(-c3nc([C@H]4CCOC4)no3)cc2)CC1 ZINC000096132260 407239174 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CC[C@H]([NH2+]Cc1cccnc1)c1cccc(S(N)(=O)=O)c1 ZINC000097033720 407276194 /nfs/dbraw/zinc/27/61/94/407276194.db2.gz WFFLDZULMPRSCQ-HNNXBMFYSA-N 1 0 305.403 1.970 50 0 DDAARO CCOc1ccccc1N1CC[NH+](CCC2OCCO2)CC1 ZINC000097094917 407279442 /nfs/dbraw/zinc/27/94/42/407279442.db2.gz IJBDXYSQXDXYBW-UHFFFAOYSA-N 1 0 306.406 1.970 50 0 DDAARO Cc1nonc1CC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000067770720 407282946 /nfs/dbraw/zinc/28/29/46/407282946.db2.gz YHNSCXXWZFAXJT-UHFFFAOYSA-N 1 0 315.377 1.363 50 0 DDAARO CCCc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)cs1 ZINC000067855448 407287600 /nfs/dbraw/zinc/28/76/00/407287600.db2.gz BVWJVVIUBUAXFG-OCCSQVGLSA-N 1 0 323.462 1.767 50 0 DDAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccncc1 ZINC000097315692 407291184 /nfs/dbraw/zinc/29/11/84/407291184.db2.gz WNHHQRLAWGNBCA-PLNGDYQASA-N 1 0 316.449 1.579 50 0 DDAARO CCN(CCNC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000097347465 407291322 /nfs/dbraw/zinc/29/13/22/407291322.db2.gz LJRALDAKGAJGMX-MRXNPFEDSA-N 1 0 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305.426 1.351 50 0 DDAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 ZINC000078952734 185134535 /nfs/dbraw/zinc/13/45/35/185134535.db2.gz SXUZUFJLSXRCMS-MRXNPFEDSA-N 1 0 305.422 1.805 50 0 DDAARO C[N@H+](CCO)C1(CNC(=O)Nc2ccncc2)CCCCC1 ZINC000079358830 185166974 /nfs/dbraw/zinc/16/69/74/185166974.db2.gz ROELVSHDOISPEB-UHFFFAOYSA-N 1 0 306.410 1.830 50 0 DDAARO Cc1ncc2c(c1CNC(=O)c1n[nH]c3c1CCC3)CC[NH2+]C2 ZINC000072425227 282168802 /nfs/dbraw/zinc/16/88/02/282168802.db2.gz GRSKKJBDGCZYIV-UHFFFAOYSA-N 1 0 311.389 1.178 50 0 DDAARO CCCc1cc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)[nH]n1 ZINC000222688734 539265645 /nfs/dbraw/zinc/26/56/45/539265645.db2.gz WIMQWQQKGSUJJX-UHFFFAOYSA-N 1 0 315.425 1.576 50 0 DDAARO CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000095436927 185365188 /nfs/dbraw/zinc/36/51/88/185365188.db2.gz CBVXRWJUQAURKB-HUUCEWRRSA-N 1 0 311.470 1.813 50 0 DDAARO CS[C@H]1CN(Cc2nc(-c3cccnc3)no2)C[C@H]1[NH+](C)C ZINC000095446843 185368008 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CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H]1CCCO1 ZINC000065352923 184326975 /nfs/dbraw/zinc/32/69/75/184326975.db2.gz QVJYTARYBNTZQY-BZUAXINKSA-N 1 0 310.438 1.657 50 0 DDAARO Cc1cc(C)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(=O)[nH]1 ZINC000065419579 184341546 /nfs/dbraw/zinc/34/15/46/184341546.db2.gz DSYMKGVXLMVGET-OAHLLOKOSA-N 1 0 309.435 1.159 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000065432189 184344364 /nfs/dbraw/zinc/34/43/64/184344364.db2.gz CCEDMSCBTGTYJG-OAHLLOKOSA-N 1 0 323.481 1.968 50 0 DDAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CCCn1cnnn1 ZINC000065455628 184347399 /nfs/dbraw/zinc/34/73/99/184347399.db2.gz KPZZBXXPJADUSF-UHFFFAOYSA-N 1 0 310.365 1.467 50 0 DDAARO Cc1cccc(-n2cc(CN3C[C@H]([NH+](C)C)C[C@H]3CO)cn2)c1 ZINC000065404901 184337692 /nfs/dbraw/zinc/33/76/92/184337692.db2.gz KLPSGVKBLWPZPQ-MSOLQXFVSA-N 1 0 314.433 1.678 50 0 DDAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)nc1 ZINC000065543191 184363611 /nfs/dbraw/zinc/36/36/11/184363611.db2.gz TUXAHVUSAOORGL-UHFFFAOYSA-N 1 0 315.421 1.612 50 0 DDAARO O=C(NCCn1ccnc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065553354 184365518 /nfs/dbraw/zinc/36/55/18/184365518.db2.gz YOQQBGLEQXJCPQ-AWEZNQCLSA-N 1 0 317.393 1.612 50 0 DDAARO CCCN(CC(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065591337 184369973 /nfs/dbraw/zinc/36/99/73/184369973.db2.gz GVOZPZGOBIJTFE-INIZCTEOSA-N 1 0 317.433 1.636 50 0 DDAARO CC[N@H+](CCNC(=O)c1csc(-c2cnn(C)c2)n1)C1CC1 ZINC000065606450 184371593 /nfs/dbraw/zinc/37/15/93/184371593.db2.gz JDAOVVHFMYOJEF-UHFFFAOYSA-N 1 0 319.434 1.758 50 0 DDAARO COc1c(C[NH2+]CCNC(=O)c2cccc(C)c2)c(C)nn1C ZINC000065496460 184355078 /nfs/dbraw/zinc/35/50/78/184355078.db2.gz ZQSQRBGHQNWCEF-UHFFFAOYSA-N 1 0 316.405 1.565 50 0 DDAARO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+](CCC(C)C)CC2)c1C ZINC000065519462 184358758 /nfs/dbraw/zinc/35/87/58/184358758.db2.gz URBDMOABFWFALA-UHFFFAOYSA-N 1 0 306.410 1.603 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069369994 184510177 /nfs/dbraw/zinc/51/01/77/184510177.db2.gz LMRHPVXITONZOS-ZDUSSCGKSA-N 1 0 304.369 1.659 50 0 DDAARO COCCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000237140608 285117444 /nfs/dbraw/zinc/11/74/44/285117444.db2.gz UMZNLLRJGHIACI-CZUORRHYSA-N 1 0 306.406 1.911 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000156514335 197120098 /nfs/dbraw/zinc/12/00/98/197120098.db2.gz GLYOIDIHJVXKQI-STQMWFEESA-N 1 0 303.410 1.276 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000156305805 197102426 /nfs/dbraw/zinc/10/24/26/197102426.db2.gz IUJFBOAXVPXRCM-MNOVXSKESA-N 1 0 302.353 1.968 50 0 DDAARO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343489211 257236880 /nfs/dbraw/zinc/23/68/80/257236880.db2.gz LAPSIZHXLYVLBV-CABCVRRESA-N 1 0 311.495 1.511 50 0 DDAARO NC(=[NH2+])NCc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000000502110 406652839 /nfs/dbraw/zinc/65/28/39/406652839.db2.gz PEUXVBIISBBHFQ-UHFFFAOYSA-N 1 0 307.357 1.428 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)[C@H](C)OCCOCC)CC1 ZINC000069373564 406702544 /nfs/dbraw/zinc/70/25/44/406702544.db2.gz LPJSISOBIURJEO-AWEZNQCLSA-N 1 0 300.443 1.666 50 0 DDAARO CCc1nc(CC(=O)NC[C@@H]2CC[N@H+](CCOC)C2)cs1 ZINC000068477515 406642326 /nfs/dbraw/zinc/64/23/26/406642326.db2.gz JESSQVVHRQRKHN-LBPRGKRZSA-N 1 0 311.451 1.333 50 0 DDAARO COCC[N@H+](C)CCNC(=O)CCOc1ccc(OC)cc1 ZINC000069535124 406732247 /nfs/dbraw/zinc/73/22/47/406732247.db2.gz UFLIPKBFADVDIB-UHFFFAOYSA-N 1 0 310.394 1.159 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)NCCC1=CCCCC1 ZINC000069595975 406740637 /nfs/dbraw/zinc/74/06/37/406740637.db2.gz ZTBHNCHOWFGTRJ-INIZCTEOSA-N 1 0 317.437 1.749 50 0 DDAARO Cc1ccccc1N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000007065258 406749474 /nfs/dbraw/zinc/74/94/74/406749474.db2.gz FJKBYDRSCFIQHK-UHFFFAOYSA-N 1 0 320.506 1.943 50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658886 406750846 /nfs/dbraw/zinc/75/08/46/406750846.db2.gz HCRMSEOWEXHEKJ-INIZCTEOSA-N 1 0 301.394 1.078 50 0 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305.422 1.868 50 0 DDAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)[nH]c(=O)c2)C1 ZINC000824413225 759177966 /nfs/dbraw/zinc/17/79/66/759177966.db2.gz XCRMRAKNXBMQFD-CYBMUJFWSA-N 1 0 307.394 1.184 50 0 DDAARO C[NH+](C)[C@H]1CCN(Cc2nc(-c3ccccc3)nn2CCO)C1 ZINC000828776705 759768827 /nfs/dbraw/zinc/76/88/27/759768827.db2.gz KZVKMMMARHOEDS-HNNXBMFYSA-N 1 0 315.421 1.073 50 0 DDAARO COc1ccc(CN(CCO)C(=O)C[NH+]2CCCCCC2)cc1 ZINC000828754067 759778296 /nfs/dbraw/zinc/77/82/96/759778296.db2.gz WLNHDODZWKEIGB-UHFFFAOYSA-N 1 0 320.433 1.892 50 0 DDAARO CCNC(=O)N1CCC(Cc2[nH+]cc(C)n2CCOC)CC1 ZINC000581817031 761719336 /nfs/dbraw/zinc/71/93/36/761719336.db2.gz WWYLNTMVMNTALD-UHFFFAOYSA-N 1 0 308.426 1.822 50 0 DDAARO CN(Cc1ccsc1)Cc1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000200519393 764468148 /nfs/dbraw/zinc/46/81/48/764468148.db2.gz GDFLUKGRYOCOHJ-ZDUSSCGKSA-N 1 0 305.451 1.971 50 0 DDAARO CNc1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000584908289 771885265 /nfs/dbraw/zinc/88/52/65/771885265.db2.gz FECHBHPVUINZTR-UHFFFAOYSA-N 1 0 322.478 2.569 50 0 DDAARO CC(=O)Nc1c[nH]c(=O)c(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000585121968 771953038 /nfs/dbraw/zinc/95/30/38/771953038.db2.gz HSFUMHWQDWDHJE-UHFFFAOYSA-N 1 0 322.409 1.596 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)C(C)(C)O ZINC000585121726 771953259 /nfs/dbraw/zinc/95/32/59/771953259.db2.gz XLWOYNGHDOFLAW-GDBMZVCRSA-N 1 0 320.433 1.241 50 0 DDAARO COCC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1OC ZINC000952861548 775589113 /nfs/dbraw/zinc/58/91/13/775589113.db2.gz HVXUCBFERPWPJM-CQSZACIVSA-N 1 0 309.366 1.202 50 0 DDAARO NC(=O)COCC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952868224 775597023 /nfs/dbraw/zinc/59/70/23/775597023.db2.gz GBLYMUOGMPRTIS-UHFFFAOYSA-N 1 0 305.378 1.113 50 0 DDAARO CC[C@H](C(=O)NC1CCN(C(=O)N2CCCC2)CC1)[N@H+](C)CC ZINC000952872831 775617969 /nfs/dbraw/zinc/61/79/69/775617969.db2.gz DRILQXLMUGQMFZ-OAHLLOKOSA-N 1 0 324.469 1.513 50 0 DDAARO C[N@@H+]1CC[C@@H](CN2CCN(c3ncnc4sccc43)CC2)C1 ZINC000952874636 775621808 /nfs/dbraw/zinc/62/18/08/775621808.db2.gz ICOOAVNHLWHNND-CYBMUJFWSA-N 1 0 317.462 1.765 50 0 DDAARO C[C@H](CO)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000088195153 185241476 /nfs/dbraw/zinc/24/14/76/185241476.db2.gz OKUDOFPRKWUTFF-QMMMGPOBSA-N 1 0 302.168 1.896 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCCc1c[nH]cn1 ZINC000095388936 185351258 /nfs/dbraw/zinc/35/12/58/185351258.db2.gz JIMLDKULFSNGFL-INIZCTEOSA-N 1 0 312.417 1.948 50 0 DDAARO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000095402293 185354596 /nfs/dbraw/zinc/35/45/96/185354596.db2.gz LXWUXJMQACGNEV-AWEZNQCLSA-N 1 0 316.409 1.350 50 0 DDAARO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000095432448 185363886 /nfs/dbraw/zinc/36/38/86/185363886.db2.gz PABMXJIDYRBGQV-KRWDZBQOSA-N 1 0 314.385 1.981 50 0 DDAARO COC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000082156421 192362975 /nfs/dbraw/zinc/36/29/75/192362975.db2.gz WJXREDXEAJYYBQ-CYBMUJFWSA-N 1 0 312.797 1.684 50 0 DDAARO COc1cc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)ccc1F ZINC000097032475 185399517 /nfs/dbraw/zinc/39/95/17/185399517.db2.gz VFDACBRRBSFTBF-LLVKDONJSA-N 1 0 310.369 1.767 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000070173649 190866729 /nfs/dbraw/zinc/86/67/29/190866729.db2.gz JVWIRUPHBUEESQ-DTWKUNHWSA-N 1 0 322.352 1.852 50 0 DDAARO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000072130931 191044050 /nfs/dbraw/zinc/04/40/50/191044050.db2.gz YTZDRUYCHCLHTF-WBVHZDCISA-N 1 0 322.380 1.733 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000072145966 191053780 /nfs/dbraw/zinc/05/37/80/191053780.db2.gz AMJWMVOXILGASA-VXGBXAGGSA-N 1 0 322.430 1.936 50 0 DDAARO CCCSc1ncc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cn1 ZINC000072149243 191055012 /nfs/dbraw/zinc/05/50/12/191055012.db2.gz ACXVAGVQXSIRKO-XGUBFFRZSA-N 1 0 323.462 1.542 50 0 DDAARO C1=CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)CC1 ZINC000072429284 191163248 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CCCCn1nc(C(=O)N2C[C@@H](CC)[C@H]([NH+](C)C)C2)ccc1=O ZINC000089954905 353785559 /nfs/dbraw/zinc/78/55/59/353785559.db2.gz RKFXJXMSGWSSFC-UKRRQHHQSA-N 1 0 320.437 1.456 50 0 DDAARO Cc1nnc(CN(C)[C@@H]2CC[N@H+](CC3CCOCC3)C2)n1C ZINC000089735976 353778799 /nfs/dbraw/zinc/77/87/99/353778799.db2.gz PQRQUMJPOGLFBX-OAHLLOKOSA-N 1 0 307.442 1.056 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H]1[NH+](C)C ZINC000095402445 353912601 /nfs/dbraw/zinc/91/26/01/353912601.db2.gz XVGUBBATRVSCKV-KFWWJZLASA-N 1 0 317.437 1.102 50 0 DDAARO CC(C)[NH+](CCNC(=O)CN1C[C@H]2CCCC[C@H]2C1=O)C(C)C ZINC000096028189 353914274 /nfs/dbraw/zinc/91/42/74/353914274.db2.gz CJRDCKOKENMJFH-HZPDHXFCSA-N 1 0 323.481 1.870 50 0 DDAARO CCOc1cc2c(c(C[NH2+]C[C@@H]3CN(C)CCO3)c1)O[C@@H](C)C2 ZINC000106585525 353940772 /nfs/dbraw/zinc/94/07/72/353940772.db2.gz DKPOTJFJCJANAX-SUMWQHHRSA-N 1 0 320.433 1.829 50 0 DDAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000106918679 353943533 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c1ncn(-c2ncccc2C[NH2+]C2CSCCSC2)n1 ZINC000584903673 354801855 /nfs/dbraw/zinc/80/18/55/354801855.db2.gz WQOXHBYCAYDXNA-UHFFFAOYSA-N 1 0 307.448 1.601 50 0 DDAARO CC(C)(C[NH+]1CCCC1)NC(=O)COCC(F)(F)C(F)F ZINC000584903217 354801897 /nfs/dbraw/zinc/80/18/97/354801897.db2.gz SZTJTSOQTFZZLN-UHFFFAOYSA-N 1 0 314.323 1.894 50 0 DDAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(CCCCO)CC2)C1 ZINC000584902691 354801944 /nfs/dbraw/zinc/80/19/44/354801944.db2.gz UUJINUCJBATIMJ-INIZCTEOSA-N 1 0 311.470 1.025 50 0 DDAARO C[C@@H](C(=O)NCc1cnc2cnccn12)[NH+]1CCCCCC1 ZINC000584892670 354794673 /nfs/dbraw/zinc/79/46/73/354794673.db2.gz SUKHYAZDQJGKDD-ZDUSSCGKSA-N 1 0 301.394 1.610 50 0 DDAARO C[NH+](C)CCn1c2ccccc2n(C[C@H](O)c2ccco2)c1=N ZINC000005129018 181207522 /nfs/dbraw/zinc/20/75/22/181207522.db2.gz DFUYIMOYSIFXIY-HNNXBMFYSA-N 1 0 314.389 1.810 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000237077758 202144197 /nfs/dbraw/zinc/14/41/97/202144197.db2.gz ZKIBXSXYCSRJNZ-CQSZACIVSA-N 1 0 315.417 1.667 50 0 DDAARO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H](C)N1CCOCC1 ZINC000095421985 299272828 /nfs/dbraw/zinc/27/28/28/299272828.db2.gz FRUQLBIGMUOKLW-STQMWFEESA-N 1 0 305.413 1.415 50 0 DDAARO C[NH2+]C[C@H]1CCCN(C(=O)CCOc2ccccc2OC)C1 ZINC000237289575 202218673 /nfs/dbraw/zinc/21/86/73/202218673.db2.gz NZCUATSDCIQZSU-CQSZACIVSA-N 1 0 306.406 1.922 50 0 DDAARO C[C@@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)[C@@H]1C[NH3+] ZINC000237404823 202256876 /nfs/dbraw/zinc/25/68/76/202256876.db2.gz WUSZHTKJSHYKSJ-DGCLKSJQSA-N 1 0 318.377 1.848 50 0 DDAARO NC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cc1 ZINC000276351257 283378454 /nfs/dbraw/zinc/37/84/54/283378454.db2.gz KIXIFRBRRSAWJO-MRXNPFEDSA-N 1 0 303.406 1.477 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000237524900 202270498 /nfs/dbraw/zinc/27/04/98/202270498.db2.gz RWUHGKMKLQAKOI-MFKMUULPSA-N 1 0 309.435 1.584 50 0 DDAARO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC[NH2+]1 ZINC000188459898 200250556 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COc1ccc(C)cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000195448075 201390210 /nfs/dbraw/zinc/39/02/10/201390210.db2.gz OUXUHTZLOXRHTQ-KGLIPLIRSA-N 1 0 324.446 1.718 50 0 DDAARO COc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000091416460 193052810 /nfs/dbraw/zinc/05/28/10/193052810.db2.gz SPLULCNZRSCPMC-HZPDHXFCSA-N 1 0 322.424 1.970 50 0 DDAARO OCCO[C@H]1C[C@@H](O)C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000091643580 193084283 /nfs/dbraw/zinc/08/42/83/193084283.db2.gz DGIAQRXTYRUUHV-JLLHVBAKSA-N 1 0 317.429 1.924 50 0 DDAARO O=C(NCCn1ccnc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000091830524 193113813 /nfs/dbraw/zinc/11/38/13/193113813.db2.gz XJMHDKPWYFKKBD-AWEZNQCLSA-N 1 0 302.378 1.505 50 0 DDAARO CN(C)c1nc(C2CC([NH3+])C2)cc(N2CCC(F)(F)CC2)n1 ZINC000223152740 201634921 /nfs/dbraw/zinc/63/49/21/201634921.db2.gz FZLHVAMNIJPUDL-UHFFFAOYSA-N 1 0 311.380 1.983 50 0 DDAARO CC(=O)N1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000095350251 193426533 /nfs/dbraw/zinc/42/65/33/193426533.db2.gz YEVWCIZHPWESRT-MRXNPFEDSA-N 1 0 303.406 1.547 50 0 DDAARO CCC[C@H]1CN(S(=O)(=O)c2ccnn2CCC)C[C@@H]1[NH3+] ZINC000095360707 193431146 /nfs/dbraw/zinc/43/11/46/193431146.db2.gz LNUMUCUOCUZZNF-RYUDHWBXSA-N 1 0 300.428 1.041 50 0 DDAARO C[C@H]1NC(=S)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000015569786 182007078 /nfs/dbraw/zinc/00/70/78/182007078.db2.gz IBBDWFCSXHNPHG-GFCCVEGCSA-N 1 0 311.451 1.127 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1COc2ccc(OC)cc2C1 ZINC000015786205 182017101 /nfs/dbraw/zinc/01/71/01/182017101.db2.gz HYXZXGSPJYPWQE-CQSZACIVSA-N 1 0 306.406 1.704 50 0 DDAARO C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000019958522 182169971 /nfs/dbraw/zinc/16/99/71/182169971.db2.gz HICZRMXMCJRAKE-KRWDZBQOSA-N 1 0 300.406 1.371 50 0 DDAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000020102798 182186825 /nfs/dbraw/zinc/18/68/25/182186825.db2.gz DKYDNEZBTQZDIY-UHFFFAOYSA-N 1 0 315.461 1.981 50 0 DDAARO Cc1cccc(OCC(=O)O[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000020327330 182207680 /nfs/dbraw/zinc/20/76/80/182207680.db2.gz UZUNAJOHNHFZCJ-HNNXBMFYSA-N 1 0 306.406 1.553 50 0 DDAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000020347352 182210465 /nfs/dbraw/zinc/21/04/65/182210465.db2.gz TXGGYDDOLGANNN-MRXNPFEDSA-N 1 0 306.406 1.266 50 0 aggregator DDAARO CCOc1c(CNCC[NH2+]CCO)cc(Cl)cc1OC ZINC000020477661 182221689 /nfs/dbraw/zinc/22/16/89/182221689.db2.gz COVLDRWCINZPBN-UHFFFAOYSA-N 1 0 302.802 1.419 50 0 DDAARO C[N@@H+]1CCN(Cc2cnn(Cc3ccccc3)c2)C[C@@H]1CCO ZINC000020455671 182219643 /nfs/dbraw/zinc/21/96/43/182219643.db2.gz KHTDMYKQZPNRBB-SFHVURJKSA-N 1 0 314.433 1.430 50 0 DDAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(F)cc1 ZINC000024241787 182378325 /nfs/dbraw/zinc/37/83/25/182378325.db2.gz RSDYPVHWILVXRL-MRXNPFEDSA-N 1 0 307.369 1.071 50 0 DDAARO COc1ccccc1COC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040459157 183069859 /nfs/dbraw/zinc/06/98/59/183069859.db2.gz YEEGJUNIXGTMJM-LZWOXQAQSA-N 1 0 309.406 1.682 50 0 DDAARO CC(C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)[NH+]1CCCCCC1 ZINC000040522800 183091647 /nfs/dbraw/zinc/09/16/47/183091647.db2.gz DLEXNONZZYQGAN-AWEZNQCLSA-N 1 0 306.410 1.813 50 0 DDAARO CCCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1 ZINC000040721833 183123795 /nfs/dbraw/zinc/12/37/95/183123795.db2.gz GSSJSTWBRMKKLP-UHFFFAOYSA-N 1 0 307.423 1.881 50 0 DDAARO Cc1cc(Cl)cc2c(=O)n(CC3(O)CC[NH+](C)CC3)cnc12 ZINC000042442400 183271135 /nfs/dbraw/zinc/27/11/35/183271135.db2.gz ADDMZGGJERTYGZ-UHFFFAOYSA-N 1 0 321.808 1.815 50 0 DDAARO O=C(Nc1nncs1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043130875 183339887 /nfs/dbraw/zinc/33/98/87/183339887.db2.gz LTPVYHWJKOKPKY-GFCCVEGCSA-N 1 0 303.391 1.934 50 0 DDAARO O=C1C[C@H]([NH+]2CCCCCC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019989592 284841201 /nfs/dbraw/zinc/84/12/01/284841201.db2.gz ZZLVWVGNQGLPLU-ZDUSSCGKSA-N 1 0 316.357 1.923 50 0 DDAARO CC(=O)N[C@@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1cccs1 ZINC000055718984 183995451 /nfs/dbraw/zinc/99/54/51/183995451.db2.gz ASOHZGQUNXYQIB-UONOGXRCSA-N 1 0 323.462 1.772 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(F)c2)n1 ZINC000057554931 184042125 /nfs/dbraw/zinc/04/21/25/184042125.db2.gz ZNAFGOJVXHMHMX-CYBMUJFWSA-N 1 0 314.364 1.978 50 0 DDAARO NC(=O)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000057958508 184064184 /nfs/dbraw/zinc/06/41/84/184064184.db2.gz CVHARKYIQWCMOP-RYUDHWBXSA-N 1 0 301.312 1.439 50 0 DDAARO CN1CC[NH+](CCCCNC(=O)NCCc2cccs2)CC1 ZINC000058291544 184100822 /nfs/dbraw/zinc/10/08/22/184100822.db2.gz OPQDBZYRYSYUPP-UHFFFAOYSA-N 1 0 324.494 1.617 50 0 DDAARO CNC(=O)NC(=O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000058315337 184104671 /nfs/dbraw/zinc/10/46/71/184104671.db2.gz NGLFVMDHYXLLQL-UHFFFAOYSA-N 1 0 319.405 1.405 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058393368 184112326 /nfs/dbraw/zinc/11/23/26/184112326.db2.gz WIQMKCXRZFXYNH-MELADBBJSA-N 1 0 323.485 1.382 50 0 DDAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000058401536 184113041 /nfs/dbraw/zinc/11/30/41/184113041.db2.gz RXFUUQREZFIATR-NWDGAFQWSA-N 1 0 307.394 1.970 50 0 DDAARO O=C(CCc1ccccc1O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058421474 184116012 /nfs/dbraw/zinc/11/60/12/184116012.db2.gz PQMSKGJVBOKKQK-CABCVRRESA-N 1 0 304.390 1.304 50 0 DDAARO COc1c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C ZINC000058421657 184116477 /nfs/dbraw/zinc/11/64/77/184116477.db2.gz JFIGGNATUHKAFA-LLVKDONJSA-N 1 0 315.439 1.076 50 0 DDAARO COC(=O)[C@@H](C)C[N@H+](CCC(=O)N(C)C)Cc1ccccc1 ZINC000060333759 184146291 /nfs/dbraw/zinc/14/62/91/184146291.db2.gz CYLPNGLTRZGDOC-AWEZNQCLSA-N 1 0 306.406 1.776 50 0 DDAARO Cc1nc(-c2ccc(C[NH2+]CC(=O)Nc3cnccn3)cc2)no1 ZINC000065396026 184335214 /nfs/dbraw/zinc/33/52/14/184335214.db2.gz XQVSYHBNEUSDMG-UHFFFAOYSA-N 1 0 324.344 1.563 50 0 DDAARO CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000065439375 184345199 /nfs/dbraw/zinc/34/51/99/184345199.db2.gz SIMMEKOQDGTWIT-UHFFFAOYSA-N 1 0 324.450 1.202 50 0 DDAARO COc1ccc(-n2c(=O)[nH]nc2C2CC[NH+](C)CC2)cc1OC ZINC000065466332 184350236 /nfs/dbraw/zinc/35/02/36/184350236.db2.gz KYVBSEQQPYTXFV-UHFFFAOYSA-N 1 0 318.377 1.387 50 0 DDAARO COc1ccc(OCCN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000065468880 184350628 /nfs/dbraw/zinc/35/06/28/184350628.db2.gz ZMSJTYJRDGENKS-ROUUACIJSA-N 1 0 320.433 1.605 50 0 DDAARO CCCCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000065523858 184359441 /nfs/dbraw/zinc/35/94/41/184359441.db2.gz DHNIRXKDSABEGZ-AWEZNQCLSA-N 1 0 312.458 1.419 50 0 DDAARO COc1c(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)c(C)nn1C ZINC000065595072 184371004 /nfs/dbraw/zinc/37/10/04/184371004.db2.gz NSBZNTQURWBASH-CQSZACIVSA-N 1 0 311.332 1.839 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000066125975 184391269 /nfs/dbraw/zinc/39/12/69/184391269.db2.gz GAAGCMROTAPNST-ZDUSSCGKSA-N 1 0 316.409 1.051 50 0 DDAARO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1OCC1CC1 ZINC000065615064 184374154 /nfs/dbraw/zinc/37/41/54/184374154.db2.gz GQCNWLAMSNIRPQ-MRXNPFEDSA-N 1 0 320.433 1.904 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158317237 197261465 /nfs/dbraw/zinc/26/14/65/197261465.db2.gz MYPATWTVFRJEKH-GFCCVEGCSA-N 1 0 310.419 1.434 50 0 DDAARO COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157916667 197225937 /nfs/dbraw/zinc/22/59/37/197225937.db2.gz UFJBGZYIYOFEHZ-LBPRGKRZSA-N 1 0 312.797 1.929 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000157828224 197219076 /nfs/dbraw/zinc/21/90/76/197219076.db2.gz VVXHIRNXOASLFZ-HOCLYGCPSA-N 1 0 304.390 1.808 50 0 DDAARO OC1CC[NH+](Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000222578891 257274498 /nfs/dbraw/zinc/27/44/98/257274498.db2.gz WMGXIINMTYCDDS-UHFFFAOYSA-N 1 0 320.433 1.354 50 0 DDAARO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000358782695 257236098 /nfs/dbraw/zinc/23/60/98/257236098.db2.gz AQVFVNFFIJOGFY-YPMHNXCESA-N 1 0 321.377 1.534 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)[C@@H]1C[NH3+] ZINC000237481415 257238825 /nfs/dbraw/zinc/23/88/25/257238825.db2.gz OQYNGDLGMMVOQN-TZMCWYRMSA-N 1 0 319.430 1.983 50 0 DDAARO COc1ccc(-n2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)n2)cc1 ZINC000237511934 257238870 /nfs/dbraw/zinc/23/88/70/257238870.db2.gz PNJSUXDLGOOCEE-QWHCGFSZSA-N 1 0 314.389 1.833 50 0 DDAARO Cc1ccc([C@H](O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C ZINC000229375322 257260282 /nfs/dbraw/zinc/26/02/82/257260282.db2.gz INNUXSQKTQNOAE-LZLYRXPVSA-N 1 0 306.450 1.724 50 0 DDAARO O[C@H](CNc1noc(-c2ccccc2)n1)C[NH+]1CCCCC1 ZINC000097163255 285358081 /nfs/dbraw/zinc/35/80/81/285358081.db2.gz RJRFPRHLWAGQEJ-CQSZACIVSA-N 1 0 302.378 1.995 50 0 DDAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000071830763 184859467 /nfs/dbraw/zinc/85/94/67/184859467.db2.gz VRPDSAFWUVPAEK-JHJVBQTASA-N 1 0 303.410 1.536 50 0 DDAARO O=C(c1ccc(SCCO)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000223139880 407564353 /nfs/dbraw/zinc/56/43/53/407564353.db2.gz CJZBRMZVEBGBNN-KGLIPLIRSA-N 1 0 306.431 1.738 50 0 DDAARO COc1cccc(N2CC[NH+](C3CCN(C(C)=O)CC3)CC2)c1 ZINC000000217676 406630889 /nfs/dbraw/zinc/63/08/89/406630889.db2.gz IYGUXNGHQQPRNQ-UHFFFAOYSA-N 1 0 317.433 1.828 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757590 406658420 /nfs/dbraw/zinc/65/84/20/406658420.db2.gz WYUWZNBZRIKZDR-QGZVFWFLSA-N 1 0 315.461 1.891 50 0 DDAARO CC(C)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000068819897 406664695 /nfs/dbraw/zinc/66/46/95/406664695.db2.gz GJSCYJWUMYSVGX-LBPRGKRZSA-N 1 0 306.410 1.122 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](c1nccn1C)C(C)C)CN2 ZINC000069348578 406698527 /nfs/dbraw/zinc/69/85/27/406698527.db2.gz ICMHSPZKDYICOP-DZGCQCFKSA-N 1 0 302.426 1.954 50 0 DDAARO CNC(=O)C1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000068387318 406637426 /nfs/dbraw/zinc/63/74/26/406637426.db2.gz RHSLFGDAPCHPHM-CYBMUJFWSA-N 1 0 317.433 1.758 50 0 DDAARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc2c(c1)OCO2 ZINC000000292860 406638905 /nfs/dbraw/zinc/63/89/05/406638905.db2.gz GFBCOQPLYTWSFP-OAHLLOKOSA-N 1 0 308.403 1.941 50 0 DDAARO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccccc1 ZINC000000295030 406640444 /nfs/dbraw/zinc/64/04/44/406640444.db2.gz VUGWCXWXZGDKIV-GOEBONIOSA-N 1 0 315.369 1.856 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCc3c(ncn3C3CC3)C2)no1 ZINC000069413695 406706549 /nfs/dbraw/zinc/70/65/49/406706549.db2.gz NLDSESFSTDNERG-UHFFFAOYSA-N 1 0 315.377 1.901 50 0 DDAARO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H](O)Cn1cccn1 ZINC000069453379 406715540 /nfs/dbraw/zinc/71/55/40/406715540.db2.gz TVQDVDGPGOVIHF-CQSZACIVSA-N 1 0 309.797 1.908 50 0 DDAARO CC[C@H]1CN(c2nn3cc(C)nc3s2)CC[N@@H+]1CCOC ZINC000069849556 406780623 /nfs/dbraw/zinc/78/06/23/406780623.db2.gz AYBFIFGBLOQVNO-LBPRGKRZSA-N 1 0 309.439 1.646 50 0 DDAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](CCCn2cccn2)C1 ZINC000011934293 406832834 /nfs/dbraw/zinc/83/28/34/406832834.db2.gz GZUOXTPAEBTTMZ-QGZVFWFLSA-N 1 0 323.437 1.955 50 0 DDAARO CC[NH+]1CCN(c2ccc(N3C(=O)[C@H](C)NC3=S)cc2)CC1 ZINC000012534625 406847083 /nfs/dbraw/zinc/84/70/83/406847083.db2.gz UXDXBUDOAQDOGV-LBPRGKRZSA-N 1 0 318.446 1.438 50 0 DDAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)c1 ZINC000012569646 406847673 /nfs/dbraw/zinc/84/76/73/406847673.db2.gz LAWLCHLREIVSPN-KBPBESRZSA-N 1 0 324.421 1.048 50 0 DDAARO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000012596038 406848219 /nfs/dbraw/zinc/84/82/19/406848219.db2.gz FEZYPNRNGYLYHF-HUUCEWRRSA-N 1 0 323.389 1.060 50 0 DDAARO O=C(c1cc2ccccc2[nH]c1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839848 406851680 /nfs/dbraw/zinc/85/16/80/406851680.db2.gz UVMAKDGIASBVFJ-CQSZACIVSA-N 1 0 311.385 1.838 50 0 DDAARO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCNC(=O)C1 ZINC000071856402 406853452 /nfs/dbraw/zinc/85/34/52/406853452.db2.gz JEDKAMCHKZYBQC-INIZCTEOSA-N 1 0 321.808 1.339 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(=O)n3c(C)csc3n2)c1 ZINC000071872155 406857792 /nfs/dbraw/zinc/85/77/92/406857792.db2.gz RPFNYGSJYMSVDH-LLVKDONJSA-N 1 0 317.418 1.748 50 0 DDAARO C[C@H](Cn1cccn1)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000071879160 406859323 /nfs/dbraw/zinc/85/93/23/406859323.db2.gz WNQWZJFCSMZXNV-CQSZACIVSA-N 1 0 302.378 1.056 50 0 DDAARO CC(C)[C@H](C(=O)NCCc1nncn1C1CC1)[NH+]1CCCC1 ZINC000071896404 406864298 /nfs/dbraw/zinc/86/42/98/406864298.db2.gz QEHCVTAZVMHNTA-OAHLLOKOSA-N 1 0 305.426 1.392 50 0 DDAARO CC(=O)Nc1nc2ccc(C(=O)NCC[NH+](C)C)cc2s1 ZINC000013691574 406866146 /nfs/dbraw/zinc/86/61/46/406866146.db2.gz HFGLIMWOYMVRNT-UHFFFAOYSA-N 1 0 306.391 1.546 50 0 DDAARO CCOc1cc(C[N@H+](C)CCC(N)=O)ccc1OC(F)F ZINC000027210119 406909221 /nfs/dbraw/zinc/90/92/21/406909221.db2.gz WSEVCJLOVPVQHZ-UHFFFAOYSA-N 1 0 302.321 1.994 50 0 DDAARO C[NH+]1CCC(N(Cc2cccnc2)C(=O)N2CCOCC2)CC1 ZINC000072162480 406874513 /nfs/dbraw/zinc/87/45/13/406874513.db2.gz ZMZFADFUXUWMFG-UHFFFAOYSA-N 1 0 318.421 1.430 50 0 DDAARO O=C(CCCc1ccccn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269913 406877014 /nfs/dbraw/zinc/87/70/14/406877014.db2.gz YRLMYZCLKYHLIV-SJORKVTESA-N 1 0 317.433 1.462 50 0 DDAARO Nc1nc2c(c(N3CCCC3)n1)CC[N@H+](Cc1ccccn1)CC2 ZINC000072474222 406883348 /nfs/dbraw/zinc/88/33/48/406883348.db2.gz YKKKLJIEVGUZEZ-UHFFFAOYSA-N 1 0 324.432 1.655 50 0 DDAARO Cc1ccc(N2C(=O)C[C@@H](N3CCSCC3)C2=O)c(C)c1 ZINC000020223494 406886744 /nfs/dbraw/zinc/88/67/44/406886744.db2.gz HBCVIEARGWEOGI-CQSZACIVSA-N 1 0 304.415 1.984 50 0 DDAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCOCC1 ZINC000073891389 406895788 /nfs/dbraw/zinc/89/57/88/406895788.db2.gz XCJWCQJTMGFPJQ-INIZCTEOSA-N 1 0 303.406 1.865 50 0 DDAARO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038521 406907598 /nfs/dbraw/zinc/90/75/98/406907598.db2.gz UPMPOFDZCUCARM-RYUDHWBXSA-N 1 0 319.405 1.973 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000036359158 406979681 /nfs/dbraw/zinc/97/96/81/406979681.db2.gz YXKVXFMFPJXKCA-LBPRGKRZSA-N 1 0 314.389 1.707 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000076058687 406952943 /nfs/dbraw/zinc/95/29/43/406952943.db2.gz WFCIGJLUZXLZSR-WBMJQRKESA-N 1 0 324.446 1.724 50 0 DDAARO Cc1sc2[nH]c(CN3CCC(C[NH3+])CC3)nc(=O)c2c1C ZINC000044513379 407025505 /nfs/dbraw/zinc/02/55/05/407025505.db2.gz YKVKFNLVGXWIPU-UHFFFAOYSA-N 1 0 306.435 1.772 50 0 DDAARO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1)N1CCOCC1 ZINC000078553495 407032792 /nfs/dbraw/zinc/03/27/92/407032792.db2.gz LXWSWSCOPFXUMP-UHFFFAOYSA-N 1 0 318.826 1.092 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cnn(C)c3)C2)no1 ZINC000078771311 407044866 /nfs/dbraw/zinc/04/48/66/407044866.db2.gz MOAGHXGKDHCLBF-CQSZACIVSA-N 1 0 304.398 1.208 50 0 DDAARO COc1ccccc1C[C@H](C)N1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077288207 406983662 /nfs/dbraw/zinc/98/36/62/406983662.db2.gz VNZBRBLDFDJTTM-LBPRGKRZSA-N 1 0 317.389 1.300 50 0 DDAARO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C[C@H]1O)c1ccncc1 ZINC000077357426 406986901 /nfs/dbraw/zinc/98/69/01/406986901.db2.gz MHLPFUMENOZCIZ-HZPDHXFCSA-N 1 0 303.406 1.579 50 0 DDAARO Cn1ccnc1SCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077456385 406991193 /nfs/dbraw/zinc/99/11/93/406991193.db2.gz DLSYCVZUEVMRGU-CYBMUJFWSA-N 1 0 311.451 1.830 50 0 DDAARO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037798607 406993790 /nfs/dbraw/zinc/99/37/90/406993790.db2.gz MTWWKOXMEVFHAP-VXGBXAGGSA-N 1 0 313.195 1.130 50 0 DDAARO Cc1cc(C)nc(SCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000047264356 407072112 /nfs/dbraw/zinc/07/21/12/407072112.db2.gz MZBUCAUZQRJDOM-ZIAGYGMSSA-N 1 0 320.462 1.929 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC(=O)NC1 ZINC000047719807 407080229 /nfs/dbraw/zinc/08/02/29/407080229.db2.gz IAYCYNKGVVTQHX-OLZOCXBDSA-N 1 0 305.378 1.059 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1sc(-c2ncccn2)nc1C ZINC000054847155 407189837 /nfs/dbraw/zinc/18/98/37/407189837.db2.gz VRQJCJPALFSPQY-UHFFFAOYSA-N 1 0 319.434 1.980 50 0 DDAARO CN(CC(F)(F)F)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000089340125 407131353 /nfs/dbraw/zinc/13/13/53/407131353.db2.gz CYKSNWXQUKRTFX-UHFFFAOYSA-N 1 0 316.327 1.224 50 0 DDAARO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000050518208 407131750 /nfs/dbraw/zinc/13/17/50/407131750.db2.gz MQUQDFYHCSRBEK-GFCCVEGCSA-N 1 0 302.296 1.434 50 0 DDAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000051186172 407137492 /nfs/dbraw/zinc/13/74/92/407137492.db2.gz NBANMQZAHHCJGQ-AWEZNQCLSA-N 1 0 321.446 1.609 50 0 DDAARO Cc1nn(C)c(C)c1CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000089505810 407138049 /nfs/dbraw/zinc/13/80/49/407138049.db2.gz SJDALEQGMMQYMI-UHFFFAOYSA-N 1 0 321.469 1.563 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)c1ccccc1N(C)C ZINC000089588350 407141040 /nfs/dbraw/zinc/14/10/40/407141040.db2.gz XTCMFVPPHMFJMN-KGLIPLIRSA-N 1 0 305.422 1.651 50 0 DDAARO COc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1F ZINC000052216361 407148911 /nfs/dbraw/zinc/14/89/11/407148911.db2.gz MSMUDPCFEFESAC-UHFFFAOYSA-N 1 0 307.369 1.824 50 0 DDAARO Cc1ccc(CSCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000053717783 407171955 /nfs/dbraw/zinc/17/19/55/407171955.db2.gz RPSIIFGLIOSLLQ-UHFFFAOYSA-N 1 0 321.490 1.592 50 0 DDAARO CCCCCC[NH+]1CCC(Cn2cc(CNC(N)=O)nn2)CC1 ZINC000055359872 407202180 /nfs/dbraw/zinc/20/21/80/407202180.db2.gz NNYGWOAXXBYISA-UHFFFAOYSA-N 1 0 322.457 1.739 50 0 DDAARO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000096412730 407261564 /nfs/dbraw/zinc/26/15/64/407261564.db2.gz XKGXGVWQRLFANB-AWEZNQCLSA-N 1 0 318.417 1.926 50 0 DDAARO CCCCSc1nc(N2CCS(=O)(=O)CC2)cc(N)[nH+]1 ZINC000095360139 407208982 /nfs/dbraw/zinc/20/89/82/407208982.db2.gz RJDHYIUJZGUUBB-UHFFFAOYSA-N 1 0 316.452 1.186 50 0 DDAARO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095381241 407211511 /nfs/dbraw/zinc/21/15/11/407211511.db2.gz RFTAHVJKFIVGRY-GOEBONIOSA-N 1 0 317.433 1.741 50 0 DDAARO CC(C)OC(=O)C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1 ZINC000095971664 407218480 /nfs/dbraw/zinc/21/84/80/407218480.db2.gz ZPANXBHZNWLSIM-RHSMWYFYSA-N 1 0 322.380 1.887 50 0 DDAARO C[C@](C[NH3+])(NS(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000095972370 407218571 /nfs/dbraw/zinc/21/85/71/407218571.db2.gz VEMOAUGODYHPGN-GFCCVEGCSA-N 1 0 306.790 1.885 50 0 DDAARO O=C(Cn1cncn1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058341530 407219812 /nfs/dbraw/zinc/21/98/12/407219812.db2.gz YOJXENLPDBLHGY-INIZCTEOSA-N 1 0 313.405 1.449 50 0 DDAARO COc1c(C[NH2+]CCNC(=O)c2ccccc2F)c(C)nn1C ZINC000058307318 407220158 /nfs/dbraw/zinc/22/01/58/407220158.db2.gz GNBIUGVEVDVELQ-UHFFFAOYSA-N 1 0 320.368 1.396 50 0 DDAARO Cc1cccc(C)c1OCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058333258 407220539 /nfs/dbraw/zinc/22/05/39/407220539.db2.gz RVHABHYLPBBBTC-CVEARBPZSA-N 1 0 318.417 1.662 50 0 DDAARO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 ZINC000096008609 407223940 /nfs/dbraw/zinc/22/39/40/407223940.db2.gz IVVXVLKOYNIAGG-DZGCQCFKSA-N 1 0 312.435 1.944 50 0 DDAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096114120 407238555 /nfs/dbraw/zinc/23/85/55/407238555.db2.gz VRMBWVYBZSKAGA-UHFFFAOYSA-N 1 0 314.389 1.693 50 0 DDAARO CCc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)nc(C)n1 ZINC000096154106 407241785 /nfs/dbraw/zinc/24/17/85/407241785.db2.gz RDFIUZIRJKGLSN-BBRMVZONSA-N 1 0 321.444 1.606 50 0 DDAARO Cc1cnc(N[C@H]2COC[C@@H]2[NH+]2CCCCC2)nc1N(C)C ZINC000065426167 407243104 /nfs/dbraw/zinc/24/31/04/407243104.db2.gz IBSQUVYLXBNRET-KBPBESRZSA-N 1 0 305.426 1.516 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000096181177 407243701 /nfs/dbraw/zinc/24/37/01/407243701.db2.gz YUGARJLSXIBPGF-IUODEOHRSA-N 1 0 323.462 1.726 50 0 DDAARO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2ccsc2)n1 ZINC000096435345 407265476 /nfs/dbraw/zinc/26/54/76/407265476.db2.gz QHYTUJBTDIWSHK-LBPRGKRZSA-N 1 0 323.422 1.361 50 0 DDAARO C[C@H]1COCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000096452410 407268442 /nfs/dbraw/zinc/26/84/42/407268442.db2.gz XOPYYCXXKVXIBD-ZDUSSCGKSA-N 1 0 309.385 1.688 50 0 DDAARO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000096492400 407272629 /nfs/dbraw/zinc/27/26/29/407272629.db2.gz AUOLKOLRRDMNHI-ZDUSSCGKSA-N 1 0 318.421 1.783 50 0 DDAARO C[C@@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1 ZINC000096494079 407272792 /nfs/dbraw/zinc/27/27/92/407272792.db2.gz HRSLPZLTINYBNZ-NSHDSACASA-N 1 0 302.415 1.847 50 0 DDAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCn2c(C)cc(C)nc2=O)n1 ZINC000067674256 407279470 /nfs/dbraw/zinc/27/94/70/407279470.db2.gz UJMBYUPAQDOBKP-ZDUSSCGKSA-N 1 0 303.410 1.352 50 0 DDAARO Cc1cc(C)c(CN2CCO[C@@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067694493 407280206 /nfs/dbraw/zinc/28/02/06/407280206.db2.gz RENGMJRAHOQJQS-HNNXBMFYSA-N 1 0 300.406 1.649 50 0 DDAARO O[C@@H]1CN(Cc2c[nH]cn2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067726407 407281526 /nfs/dbraw/zinc/28/15/26/407281526.db2.gz OQMBDIPXXXVHLZ-UONOGXRCSA-N 1 0 301.346 1.489 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3cccnc3C)CC2)nn1 ZINC000097139357 407281825 /nfs/dbraw/zinc/28/18/25/407281825.db2.gz GVPSZSUMQOMJGG-UHFFFAOYSA-N 1 0 315.377 1.605 50 0 DDAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1nnc[nH]1 ZINC000067821248 407285020 /nfs/dbraw/zinc/28/50/20/407285020.db2.gz AKZPPHSHIPGLLT-LBPRGKRZSA-N 1 0 303.366 1.430 50 0 DDAARO C[C@@H](c1nc(CC2CC[NH+](C)CC2)no1)N1CCN(C)CC1 ZINC000067821175 407285845 /nfs/dbraw/zinc/28/58/45/407285845.db2.gz MZAILBPPECWGIF-ZDUSSCGKSA-N 1 0 307.442 1.262 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1sccc1Cl ZINC000067842607 407287397 /nfs/dbraw/zinc/28/73/97/407287397.db2.gz DCMULJXVAJCXQE-SCZZXKLOSA-N 1 0 315.826 1.468 50 0 DDAARO CN1CCc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2C1 ZINC000097212229 407288480 /nfs/dbraw/zinc/28/84/80/407288480.db2.gz HINGXEKFPHXZTK-UHFFFAOYSA-N 1 0 301.438 1.529 50 0 DDAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)CSc1nnc(N)s1 ZINC000067881697 407289056 /nfs/dbraw/zinc/28/90/56/407289056.db2.gz OURVISZRKMJGEK-GFCCVEGCSA-N 1 0 315.468 1.013 50 0 DDAARO O=S(=O)(NCC[NH2+][C@H]1CCCSC1)c1cccs1 ZINC000097370880 407292334 /nfs/dbraw/zinc/29/23/34/407292334.db2.gz IJTQUUCBTVDDDR-JTQLQIEISA-N 1 0 306.478 1.512 50 0 DDAARO O[C@@H]1C[N@@H+](C2CCOCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067973551 407292937 /nfs/dbraw/zinc/29/29/37/407292937.db2.gz JDIIUSVIVAAZBT-LSDHHAIUSA-N 1 0 305.374 1.745 50 0 DDAARO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)NC(C)C)C2)cc1O ZINC000067975817 407293435 /nfs/dbraw/zinc/29/34/35/407293435.db2.gz ACYZPYKHQXZKJD-AWEZNQCLSA-N 1 0 321.421 1.930 50 0 DDAARO CC(=O)N(CCC(=O)NCC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000097594209 407299937 /nfs/dbraw/zinc/29/99/37/407299937.db2.gz OTEXBMDZIFAJGE-UHFFFAOYSA-N 1 0 319.449 1.930 50 0 DDAARO CNC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630296 407465442 /nfs/dbraw/zinc/46/54/42/407465442.db2.gz YMQHDKDICYJIDI-AWEZNQCLSA-N 1 0 313.405 1.787 50 0 DDAARO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000195571202 407467139 /nfs/dbraw/zinc/46/71/39/407467139.db2.gz LBMNJVQDOVETMV-KGLIPLIRSA-N 1 0 300.468 1.936 50 0 DDAARO CC(=O)CCC(=O)N1C[C@@H]2C[NH+](C3CCCC3)CC[C@]2(CO)C1 ZINC000257174137 407480101 /nfs/dbraw/zinc/48/01/01/407480101.db2.gz COPYXTVJVCRHGR-MAUKXSAKSA-N 1 0 322.449 1.441 50 0 DDAARO COCC[NH2+]CCNC(=O)c1c(F)cccc1Br ZINC000127941692 407482992 /nfs/dbraw/zinc/48/29/92/407482992.db2.gz LAXUYQLCKJLALE-UHFFFAOYSA-N 1 0 319.174 1.554 50 0 DDAARO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000253415602 407441693 /nfs/dbraw/zinc/44/16/93/407441693.db2.gz IYWMSXDYBIVCAA-ZIAGYGMSSA-N 1 0 321.465 1.777 50 0 DDAARO CCC(CC)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000170595551 407446825 /nfs/dbraw/zinc/44/68/25/407446825.db2.gz VQZSCCPCNJJSIW-UHFFFAOYSA-N 1 0 311.451 1.645 50 0 DDAARO O=C(N[C@@H]1CCn2nccc2C1)c1ccc(Cn2ccnc2)cc1 ZINC000253473538 407451097 /nfs/dbraw/zinc/45/10/97/407451097.db2.gz VUQXLXLBPBVOEM-MRXNPFEDSA-N 1 0 321.384 1.873 50 0 DDAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)Cn1nc2ccccc2n1 ZINC000221275821 407545652 /nfs/dbraw/zinc/54/56/52/407545652.db2.gz BBMYAKOTUWVZDQ-INIZCTEOSA-N 1 0 301.394 1.232 50 0 DDAARO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)C[C@@H]2c2cccs2)nn1C ZINC000227150542 407627408 /nfs/dbraw/zinc/62/74/08/407627408.db2.gz FLZMKLBYTGRUQT-OLZOCXBDSA-N 1 0 318.446 1.865 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 ZINC000229290508 407659141 /nfs/dbraw/zinc/65/91/41/407659141.db2.gz QURMOHGUYUQJCT-ZIAGYGMSSA-N 1 0 306.410 1.958 50 0 DDAARO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCC(=O)N2)[NH+](C)C)cc1 ZINC000225518127 407592752 /nfs/dbraw/zinc/59/27/52/407592752.db2.gz IIKJUSPTRAQJGI-JKSUJKDBSA-N 1 0 317.433 1.637 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(CC(F)(F)F)C[C@@H]2C)CC1 ZINC000229918488 407675596 /nfs/dbraw/zinc/67/55/96/407675596.db2.gz KPFIYMRFFIJJQL-WCQYABFASA-N 1 0 307.360 1.423 50 0 DDAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000229922367 407676489 /nfs/dbraw/zinc/67/64/89/407676489.db2.gz DZFMVOXURIRKIM-RISCZKNCSA-N 1 0 310.419 1.240 50 0 DDAARO CN(C(=O)c1ncccc1OCc1ccncc1)[C@H]1CC[NH2+]C1 ZINC000179092949 407720438 /nfs/dbraw/zinc/72/04/38/407720438.db2.gz ZAOSNBBAAYFZCG-AWEZNQCLSA-N 1 0 312.373 1.490 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC000229440807 407662217 /nfs/dbraw/zinc/66/22/17/407662217.db2.gz PKDVFROGXMCHSL-HZPDHXFCSA-N 1 0 319.453 1.933 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000237964999 407858543 /nfs/dbraw/zinc/85/85/43/407858543.db2.gz CPVIMABXGXXSDL-DMDPSCGWSA-N 1 0 321.808 1.689 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc(CN3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000153686038 407876591 /nfs/dbraw/zinc/87/65/91/407876591.db2.gz ZMJDDMGQZPMIBN-GJZGRUSLSA-N 1 0 317.433 1.341 50 0 DDAARO c1cc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c[nH]1 ZINC000241776811 407912679 /nfs/dbraw/zinc/91/26/79/407912679.db2.gz RSVFYDXOAJWSOM-CQSZACIVSA-N 1 0 311.393 1.459 50 0 DDAARO [NH3+][C@H]1C[C@H](c2cc(NCCN3CCCC3=O)nc(C3CC3)n2)C1 ZINC000240662369 407906354 /nfs/dbraw/zinc/90/63/54/407906354.db2.gz PKLSBKCGXGPGIF-JOCQHMNTSA-N 1 0 315.421 1.593 50 0 DDAARO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@H](C)[NH2+]1 ZINC000153533183 407845252 /nfs/dbraw/zinc/84/52/52/407845252.db2.gz DDXRCHQCWMSGIT-UWVGGRQHSA-N 1 0 303.337 1.490 50 0 DDAARO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)N1CCOC[C@H]1C ZINC000245289709 407950278 /nfs/dbraw/zinc/95/02/78/407950278.db2.gz DOUKKRWAPAYENX-TUVASFSCSA-N 1 0 318.483 1.041 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC(=O)NC)CC2)C1 ZINC000174195428 407921999 /nfs/dbraw/zinc/92/19/99/407921999.db2.gz RGJJVLJZYWILBF-AWEZNQCLSA-N 1 0 310.442 1.028 50 0 DDAARO COc1ccc(CNC(=O)C[C@@H]2CN(C)CC[N@@H+]2C)cc1F ZINC000244874513 407941014 /nfs/dbraw/zinc/94/10/14/407941014.db2.gz XCSRVYKGGUNYSE-CYBMUJFWSA-N 1 0 309.385 1.086 50 0 DDAARO Cn1cc([C@@H](Nc2cncc(C[NH+](C)C)n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244899437 407944065 /nfs/dbraw/zinc/94/40/65/407944065.db2.gz ZJZAOUSZRSGKJH-PEYYIBSZSA-N 1 0 316.409 1.196 50 0 DDAARO CCN(Cc1nnc(-c2cccc(F)c2)o1)[C@H]1COC[C@@H]1O ZINC000244899854 407945114 /nfs/dbraw/zinc/94/51/14/407945114.db2.gz ZRMODIJMFYZECF-STQMWFEESA-N 1 0 307.325 1.457 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000269297261 408257751 /nfs/dbraw/zinc/25/77/51/408257751.db2.gz WMUDWVNDSJJORQ-UKRRQHHQSA-N 1 0 313.405 1.775 50 0 DDAARO NC(=O)[C@@H]1CC[N@@H+]([C@H](C(=O)N2CCCC2)c2ccccc2)C1 ZINC000247705606 408503985 /nfs/dbraw/zinc/50/39/85/408503985.db2.gz DNKWGZWSTTVLRF-CABCVRRESA-N 1 0 301.390 1.157 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)C1CC1 ZINC000247959531 408519319 /nfs/dbraw/zinc/51/93/19/408519319.db2.gz VBXLIIFXRYEFHH-DAXOMENPSA-N 1 0 307.438 1.376 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000247457554 408471911 /nfs/dbraw/zinc/47/19/11/408471911.db2.gz QMVDGLWMJYFMAC-RDBSUJKOSA-N 1 0 302.440 1.054 50 0 DDAARO Cc1cnc(CCN(C)S(=O)(=O)CC[NH+]2CCCC2)s1 ZINC000192814888 408655680 /nfs/dbraw/zinc/65/56/80/408655680.db2.gz YPLGVPHKSWZCOQ-UHFFFAOYSA-N 1 0 317.480 1.351 50 0 DDAARO Cc1nc(N)sc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000252479551 408795576 /nfs/dbraw/zinc/79/55/76/408795576.db2.gz BHJQPUQLLGEDPH-UHFFFAOYSA-N 1 0 312.439 1.217 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178326927 408805745 /nfs/dbraw/zinc/80/57/45/408805745.db2.gz BDIFSJQIMVWFOA-VIFPVBQESA-N 1 0 323.194 1.889 50 0 DDAARO Cn1cccc1CN1C[C@@H](CO)[C@H](NC(=O)c2ccccc2)C1 ZINC000253407026 408815029 /nfs/dbraw/zinc/81/50/29/408815029.db2.gz JLUOONATIXGIGD-DOTOQJQBSA-N 1 0 313.401 1.248 50 0 DDAARO C[NH+](C)C[C@H](NC(=O)Nc1cccnn1)c1ccc(Cl)cc1 ZINC000338418137 409973606 /nfs/dbraw/zinc/97/36/06/409973606.db2.gz DLBUPAGYQROLDE-ZDUSSCGKSA-N 1 0 319.796 2.554 50 0 DDAARO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 ZINC000299783012 410625743 /nfs/dbraw/zinc/62/57/43/410625743.db2.gz QSIGGGAZKMIWMC-CQSZACIVSA-N 1 0 303.362 1.025 50 0 DDAARO COc1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1OCC[NH3+] ZINC000299800836 410639356 /nfs/dbraw/zinc/63/93/56/410639356.db2.gz VYFXTVCLQQWEHV-UHFFFAOYSA-N 1 0 318.377 1.303 50 0 DDAARO Cc1ncc(C[N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)s1 ZINC000044974884 418434863 /nfs/dbraw/zinc/43/48/63/418434863.db2.gz WRDBKMAOUORGOC-STQMWFEESA-N 1 0 300.424 1.440 50 0 DDAARO C[C@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)C(=O)N(C)C ZINC000048713031 418474226 /nfs/dbraw/zinc/47/42/26/418474226.db2.gz GRNQMKQMQSOJAW-ZDUSSCGKSA-N 1 0 316.405 1.565 50 0 DDAARO CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@H]1[NH+](C)C ZINC000107504209 418498012 /nfs/dbraw/zinc/49/80/12/418498012.db2.gz HCUZPXUVYSYGMG-KCPJHIHWSA-N 1 0 306.454 1.939 50 0 DDAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000048343962 418470931 /nfs/dbraw/zinc/47/09/31/418470931.db2.gz CPISDCVTTNGLKN-UHFFFAOYSA-N 1 0 321.465 1.624 50 0 DDAARO Cc1nc(N)ncc1C(=O)NCC1([NH+]2CCCC2)CCCCC1 ZINC000220242360 418561370 /nfs/dbraw/zinc/56/13/70/418561370.db2.gz FONNFQHYTZNPLL-UHFFFAOYSA-N 1 0 317.437 1.896 50 0 DDAARO CC(C)Cc1noc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000252672272 222247403 /nfs/dbraw/zinc/24/74/03/222247403.db2.gz PTRZTWISJOESLZ-CABCVRRESA-N 1 0 322.453 1.689 50 0 DDAARO CC(C)[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)CC(N)=O ZINC000408522777 418808550 /nfs/dbraw/zinc/80/85/50/418808550.db2.gz DEPOCKZUJNIDSX-ZDUSSCGKSA-N 1 0 307.419 1.685 50 0 DDAARO CC(C)[N@H+](CC[C@H]1Sc2ccccc2NC1=O)CC(N)=O ZINC000408522776 418809277 /nfs/dbraw/zinc/80/92/77/418809277.db2.gz DEPOCKZUJNIDSX-CYBMUJFWSA-N 1 0 307.419 1.685 50 0 DDAARO CN1C[C@@H](NC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)CCC1=O ZINC000426490248 419488455 /nfs/dbraw/zinc/48/84/55/419488455.db2.gz SJDHQEBSTPWKDA-AWEZNQCLSA-N 1 0 324.384 1.512 50 0 DDAARO CN(C)C(=O)CSc1nnc(CC[NH3+])n1-c1ccccc1F ZINC000426497373 419491615 /nfs/dbraw/zinc/49/16/15/419491615.db2.gz SOQSEWHPKPERBT-UHFFFAOYSA-N 1 0 323.397 1.088 50 0 DDAARO CC[C@H](O)CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426436403 419467954 /nfs/dbraw/zinc/46/79/54/419467954.db2.gz CJGSKPIMYUFIOI-NSHDSACASA-N 1 0 308.407 1.598 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)C1Cc2ccccc2C1 ZINC000426693941 419530336 /nfs/dbraw/zinc/53/03/36/419530336.db2.gz ZOLKFDDRNKHGRD-KRWDZBQOSA-N 1 0 302.418 1.364 50 0 DDAARO Cc1ccc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)nc1 ZINC000426599024 419515272 /nfs/dbraw/zinc/51/52/72/419515272.db2.gz WEDAYMGDJIGDKL-UHFFFAOYSA-N 1 0 304.438 2.183 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000299747194 229389395 /nfs/dbraw/zinc/38/93/95/229389395.db2.gz CIOPEECUAPNUKD-ZWNOBZJWSA-N 1 0 317.393 1.725 50 0 DDAARO Cc1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1OCCC[NH3+] ZINC000299789007 229444730 /nfs/dbraw/zinc/44/47/30/229444730.db2.gz YBBNDQVUNXVXHD-KRWDZBQOSA-N 1 0 318.417 1.974 50 0 DDAARO C/C=C\c1ccc(OCC(=O)N2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000429344688 420006598 /nfs/dbraw/zinc/00/65/98/420006598.db2.gz ADNWTOJTKJBETN-ZFDPJTLLSA-N 1 0 304.390 1.927 50 0 DDAARO NC(=O)C1CC[NH+](CCCNc2nccc3ccccc32)CC1 ZINC000584888211 422302445 /nfs/dbraw/zinc/30/24/45/422302445.db2.gz VYWLZIYQKJMPMS-UHFFFAOYSA-N 1 0 312.417 2.234 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCNC1=O)c1cc2ccccc2o1 ZINC000575622476 422308283 /nfs/dbraw/zinc/30/82/83/422308283.db2.gz ZBKQZVCQBXYHLO-LBPRGKRZSA-N 1 0 316.361 1.770 50 0 DDAARO Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000585114945 422304834 /nfs/dbraw/zinc/30/48/34/422304834.db2.gz GIWISTNXIIENKS-JTQLQIEISA-N 1 0 303.428 1.094 50 0 DDAARO C[C@@H]1CN(C(=O)/C=C\CNC(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C ZINC000606446024 422459002 /nfs/dbraw/zinc/45/90/02/422459002.db2.gz ZEWVHAGSYRRWIT-XRMAHGQMSA-N 1 0 311.426 1.618 50 0 DDAARO O=C(NCC[NH+]1CCCC1)c1cn(CCc2ccccc2)nn1 ZINC000012297983 263249005 /nfs/dbraw/zinc/24/90/05/263249005.db2.gz RDNJNDLBALEUHS-UHFFFAOYSA-N 1 0 313.405 1.346 50 0 DDAARO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000044906960 274198632 /nfs/dbraw/zinc/19/86/32/274198632.db2.gz KDRHOQOHIKWSMB-LBPRGKRZSA-N 1 0 319.405 1.620 50 0 DDAARO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@H]1CCCO1 ZINC000250526774 276081120 /nfs/dbraw/zinc/08/11/20/276081120.db2.gz QVJYTARYBNTZQY-OWCLPIDISA-N 1 0 310.438 1.657 50 0 DDAARO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000097371681 277240448 /nfs/dbraw/zinc/24/04/48/277240448.db2.gz QQWWMZJTOUTXIC-IAGOWNOFSA-N 1 0 310.397 1.937 50 0 DDAARO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnc2sccn2c1=O ZINC000238022950 279650428 /nfs/dbraw/zinc/65/04/28/279650428.db2.gz OSEFVVWWIXJBDF-MWLCHTKSSA-N 1 0 306.391 1.003 50 0 DDAARO CCOCC(=O)NC[C@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582600 279673827 /nfs/dbraw/zinc/67/38/27/279673827.db2.gz GZEKRKUFTLOSEN-QGZVFWFLSA-N 1 0 319.449 1.436 50 0 DDAARO O=C1Nc2ccccc2NC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000082121771 280304466 /nfs/dbraw/zinc/30/44/66/280304466.db2.gz RQMAIQHAGRYTON-ZDUSSCGKSA-N 1 0 301.390 1.922 50 0 DDAARO Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])nn2)c1 ZINC000237450347 281187588 /nfs/dbraw/zinc/18/75/88/281187588.db2.gz PBRRWPPCNOKQAT-CJNGLKHVSA-N 1 0 313.405 1.775 50 0 DDAARO Cc1ccccc1[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000237685794 281394569 /nfs/dbraw/zinc/39/45/69/281394569.db2.gz UGJZYERHCXZCQR-DOTOQJQBSA-N 1 0 318.417 1.664 50 0 DDAARO Cc1nc(NC2CCS(=O)(=O)CC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067787121 293339059 /nfs/dbraw/zinc/33/90/59/293339059.db2.gz LVJCEOJLBNHUNV-LBPRGKRZSA-N 1 0 324.450 1.241 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C[C@@H]1[NH+](C)C ZINC000229916963 300199322 /nfs/dbraw/zinc/19/93/22/300199322.db2.gz YHVKIBNICNCMPC-MJVIPROJSA-N 1 0 317.389 1.428 50 0 DDAARO C[NH+](C)CC[C@H](NS(=O)(=O)N1CCCC1)c1ccccc1 ZINC000534579689 334288923 /nfs/dbraw/zinc/28/89/23/334288923.db2.gz HINTVHQISUAQBB-HNNXBMFYSA-N 1 0 311.451 1.610 50 0 DDAARO COc1ccccc1CN(CCO)C(=O)NCC(C)(C)[NH+](C)C ZINC000534642854 334305806 /nfs/dbraw/zinc/30/58/06/334305806.db2.gz BIHXXXHCIITRKN-UHFFFAOYSA-N 1 0 323.437 1.539 50 0 DDAARO Cc1ccc(OCCS(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000534639221 334310442 /nfs/dbraw/zinc/31/04/42/334310442.db2.gz CGEKQUNMWCGHSL-KGLIPLIRSA-N 1 0 312.435 1.515 50 0 DDAARO COc1ccc2oc(C[NH2+][C@H](C)CN3CCOCC3)nc2c1 ZINC000534656031 334313720 /nfs/dbraw/zinc/31/37/20/334313720.db2.gz WRODQEDDJHCZKV-GFCCVEGCSA-N 1 0 305.378 1.647 50 0 DDAARO Cc1n[nH]c(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1C ZINC000534672292 334320678 /nfs/dbraw/zinc/32/06/78/334320678.db2.gz IXRHIRNTNHNQNO-HOTGVXAUSA-N 1 0 320.437 1.329 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C2CCOCC2)CC1 ZINC000157973081 337383330 /nfs/dbraw/zinc/38/33/30/337383330.db2.gz WWDZUSHUZOAPTL-AWEZNQCLSA-N 1 0 300.468 1.732 50 0 DDAARO COC[C@H](C)[NH+]1CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000084640357 483998698 /nfs/dbraw/zinc/99/86/98/483998698.db2.gz KKLNTYNBPHNMRG-HNNXBMFYSA-N 1 0 304.434 1.817 50 0 DDAARO COc1cccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C)c1OC ZINC000089937748 696580891 /nfs/dbraw/zinc/58/08/91/696580891.db2.gz USBUQJRYFSBBHD-XEHSLEBBSA-N 1 0 304.390 1.880 50 0 DDAARO CN1CC[N@@H+](C2Cc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095355151 696602703 /nfs/dbraw/zinc/60/27/03/696602703.db2.gz RZZBUEFDCODFRL-IBGZPJMESA-N 1 0 313.445 1.440 50 0 DDAARO CCc1ccc2occ(CC(=O)N3CC[NH2+]C[C@H](O)C3)c2c1 ZINC000097347488 696605692 /nfs/dbraw/zinc/60/56/92/696605692.db2.gz UUHQCILUBMFHDS-AWEZNQCLSA-N 1 0 302.374 1.330 50 0 DDAARO CCc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(CCOC)C(=O)[C@@H]3C2)cc1 ZINC000169751574 697343857 /nfs/dbraw/zinc/34/38/57/697343857.db2.gz MRRKUAVBQBGOIF-IYBDPMFKSA-N 1 0 316.401 1.312 50 0 DDAARO CN1C(=O)[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]2C1=O ZINC000169756841 697344318 /nfs/dbraw/zinc/34/43/18/697344318.db2.gz HBMSWOIWQMPHBE-TXEJJXNPSA-N 1 0 323.190 1.496 50 0 DDAARO [NH3+][C@@H](CNS(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000262130393 698455598 /nfs/dbraw/zinc/45/55/98/698455598.db2.gz WRHGSUSNYHSKNN-AWEZNQCLSA-N 1 0 310.444 1.910 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000864097453 706066566 /nfs/dbraw/zinc/06/65/66/706066566.db2.gz WAVPMQLWOJONGU-UHFFFAOYSA-N 1 0 319.386 1.419 50 0 DDAARO O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N(Cc1ccccn1)C1CC1 ZINC000888096435 709212039 /nfs/dbraw/zinc/21/20/39/709212039.db2.gz GHRZROUUYQNJRF-QGZVFWFLSA-N 1 0 314.389 1.471 50 0 DDAARO CC[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952987166 721532740 /nfs/dbraw/zinc/53/27/40/721532740.db2.gz KDZYUNXGMWGSCR-HUUCEWRRSA-N 1 0 318.421 1.188 50 0 DDAARO CN(C)C(=O)C[C@H]1CCOC2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000581786178 736193654 /nfs/dbraw/zinc/19/36/54/736193654.db2.gz OZZWYTYUXHOISA-OAHLLOKOSA-N 1 0 324.465 1.905 50 0 DDAARO O=C(NCCc1ccccc1)c1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000581815136 736206751 /nfs/dbraw/zinc/20/67/51/736206751.db2.gz USSLMEAHDDFWIQ-UHFFFAOYSA-N 1 0 324.428 1.911 50 0 DDAARO O=C(NCC1CC[NH+](C[C@H]2CCCOC2)CC1)c1ccon1 ZINC000828228817 759564262 /nfs/dbraw/zinc/56/42/62/759564262.db2.gz XKNHGQCGKNJWLA-CQSZACIVSA-N 1 0 307.394 1.543 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)CC[C@@H]1CO ZINC000581797972 761706214 /nfs/dbraw/zinc/70/62/14/761706214.db2.gz BFYOXWFYPDKXEV-MLGOLLRUSA-N 1 0 301.390 1.553 50 0 DDAARO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3occ(C)c3C)C2)CC1 ZINC000585081662 771927469 /nfs/dbraw/zinc/92/74/69/771927469.db2.gz DEYAHXRDLZGMPB-OAHLLOKOSA-N 1 0 305.422 1.748 50 0 DDAARO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC000952880885 775633835 /nfs/dbraw/zinc/63/38/35/775633835.db2.gz DQYHSAKXRRDMQW-ZMSDIMECSA-N 1 0 323.481 1.619 50 0 DDAARO CN(C)C(=O)N1CCCn2nc(C[NH2+]C3CCOCC3)cc2C1 ZINC000082107345 192356507 /nfs/dbraw/zinc/35/65/07/192356507.db2.gz XISDNQGMNFBMCM-UHFFFAOYSA-N 1 0 321.425 1.039 50 0 DDAARO CCC[C@@H]1CN(c2nc(N(C)C)[nH+]c(C)c2C)C[C@H]1NC(C)=O ZINC000082121463 192359728 /nfs/dbraw/zinc/35/97/28/192359728.db2.gz FWCFAGZVZWBRFT-HUUCEWRRSA-N 1 0 319.453 1.900 50 0 DDAARO Cc1cccc([C@@H](C(=O)NCC[NH+]2CCC(O)CC2)N(C)C)c1 ZINC000095389456 185351235 /nfs/dbraw/zinc/35/12/35/185351235.db2.gz AUEHAYAUMLVXHD-KRWDZBQOSA-N 1 0 319.449 1.171 50 0 DDAARO Cc1nn(C)c(C)c1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000095430836 185363326 /nfs/dbraw/zinc/36/33/26/185363326.db2.gz HOSOXEZGJZTDPA-UHFFFAOYSA-N 1 0 314.437 1.796 50 0 DDAARO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000097033470 185399725 /nfs/dbraw/zinc/39/97/25/185399725.db2.gz HNFMNZJUXKPHKY-APHBMKBZSA-N 1 0 306.406 1.982 50 0 DDAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)n1 ZINC000097033296 185399818 /nfs/dbraw/zinc/39/98/18/185399818.db2.gz VFUWTPCYKGXDKN-UGFHNGPFSA-N 1 0 313.467 1.691 50 0 DDAARO CN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299748084 529983497 /nfs/dbraw/zinc/98/34/97/529983497.db2.gz FXYGEIMHWIBMJX-APPZFPTMSA-N 1 0 319.224 1.192 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)C1 ZINC000178965431 290730650 /nfs/dbraw/zinc/73/06/50/290730650.db2.gz TUSOZDGYKXWPGS-HIFRSBDPSA-N 1 0 318.421 1.162 50 0 DDAARO Cc1ccc2cc(C[NH+]3CCC(O)(CO)CC3)c(=O)[nH]c2c1 ZINC000067489908 190709879 /nfs/dbraw/zinc/70/98/79/190709879.db2.gz SWSBELYGJZZQHG-UHFFFAOYSA-N 1 0 302.374 1.156 50 0 DDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(N)c(N)c[nH+]1 ZINC000669382951 539561536 /nfs/dbraw/zinc/56/15/36/539561536.db2.gz OGRDPRBZGOFVNG-SNVBAGLBSA-N 1 0 307.398 1.692 50 0 DDAARO C[C@H]([NH2+]Cc1nc([C@H]2COCCN2C)n[nH]1)C1CC(F)(F)C1 ZINC000685940758 539564964 /nfs/dbraw/zinc/56/49/64/539564964.db2.gz HRCJGWGFIJKSMN-GXSJLCMTSA-N 1 0 315.368 1.331 50 0 DDAARO CCOC(=O)[C@H](C[NH2+]C[C@@]1(OC)CCOC1)Cc1ccccc1 ZINC000685944909 539567572 /nfs/dbraw/zinc/56/75/72/539567572.db2.gz HRPQANKKCXFZDH-WMZOPIPTSA-N 1 0 321.417 1.804 50 0 DDAARO Cc1cnc2c(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cnn2c1 ZINC000072134377 191047175 /nfs/dbraw/zinc/04/71/75/191047175.db2.gz UDBRCALRGXGLHE-CYBMUJFWSA-N 1 0 301.394 1.594 50 0 DDAARO O=C(NCCCN1CCCC1=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072128435 191043444 /nfs/dbraw/zinc/04/34/44/191043444.db2.gz NMKUKLRTFQTUNF-AWEZNQCLSA-N 1 0 315.417 1.506 50 0 DDAARO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000072135572 191046525 /nfs/dbraw/zinc/04/65/25/191046525.db2.gz YLOZMULXKQNEQT-LBPRGKRZSA-N 1 0 306.391 1.085 50 0 DDAARO O=C(Cc1ccc(F)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072290306 191108117 /nfs/dbraw/zinc/10/81/17/191108117.db2.gz JCTQDAFAHBUAMD-HNNXBMFYSA-N 1 0 320.408 1.985 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000237510216 186299617 /nfs/dbraw/zinc/29/96/17/186299617.db2.gz JEDNAASZQUIHDT-WDEREUQCSA-N 1 0 319.434 1.743 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000072307105 191117664 /nfs/dbraw/zinc/11/76/64/191117664.db2.gz NDNSQNFBZZBHCM-KFWWJZLASA-N 1 0 311.470 1.190 50 0 DDAARO Cc1ncc2c(c1CNC(=O)[C@@H]1CCOC(C)(C)C1)CC[NH2+]C2 ZINC000072463761 191174080 /nfs/dbraw/zinc/17/40/80/191174080.db2.gz WAYKLMQFANMQFN-CYBMUJFWSA-N 1 0 317.433 1.857 50 0 DDAARO c1cnn(-c2ccc(CNc3ncnc4c3CC[NH2+]CC4)cc2)c1 ZINC000072478274 191180357 /nfs/dbraw/zinc/18/03/57/191180357.db2.gz GPTADACDWYVUGY-UHFFFAOYSA-N 1 0 320.400 1.963 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(NC(C)=O)cc1 ZINC000173656126 198237101 /nfs/dbraw/zinc/23/71/01/198237101.db2.gz VFXQLMJGTAGQKC-INIZCTEOSA-N 1 0 318.421 1.929 50 0 DDAARO COC(=O)CC1(NC(=O)c2sccc2C)CC[NH+](C)CC1 ZINC000079013355 353546883 /nfs/dbraw/zinc/54/68/83/353546883.db2.gz BAXOKVXTJGWGLM-UHFFFAOYSA-N 1 0 310.419 1.814 50 0 DDAARO CCn1ccnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1=O ZINC000091012128 353802794 /nfs/dbraw/zinc/80/27/94/353802794.db2.gz BDJYALFYNYWVLL-ZDUSSCGKSA-N 1 0 306.410 1.176 50 0 DDAARO COc1c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c(C)nn1C ZINC000097373164 353919062 /nfs/dbraw/zinc/91/90/62/353919062.db2.gz DSBMYIOINGWOGZ-ZDUSSCGKSA-N 1 0 309.410 1.712 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)NC2CCCC2)CC12CCOCC2 ZINC000097942814 353920750 /nfs/dbraw/zinc/92/07/50/353920750.db2.gz NKPLHXFISXOWQT-CQSZACIVSA-N 1 0 309.454 1.929 50 0 DDAARO CCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000236790043 202010153 /nfs/dbraw/zinc/01/01/53/202010153.db2.gz UMPXGIQWHODEGR-RISCZKNCSA-N 1 0 312.435 1.737 50 0 DDAARO Cc1c(O)cccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000191384486 354287399 /nfs/dbraw/zinc/28/73/99/354287399.db2.gz MXILGRUQWXIWFY-UHFFFAOYSA-N 1 0 317.433 1.554 50 0 DDAARO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000195558476 354297013 /nfs/dbraw/zinc/29/70/13/354297013.db2.gz MJKMSBBWONWBQG-GFCCVEGCSA-N 1 0 300.449 1.580 50 0 DDAARO CCC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000252477034 354383413 /nfs/dbraw/zinc/38/34/13/354383413.db2.gz HBUVVKZDTONMAD-PMPSAXMXSA-N 1 0 310.486 1.890 50 0 DDAARO CN(Cc1ncc[nH]1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000584893438 354795310 /nfs/dbraw/zinc/79/53/10/354795310.db2.gz JJVHNTAZROZBHO-UHFFFAOYSA-N 1 0 321.425 1.195 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000075125801 191424147 /nfs/dbraw/zinc/42/41/47/191424147.db2.gz ILXSZXQIHJDBBL-UHFFFAOYSA-N 1 0 303.362 1.707 50 0 DDAARO CC(=O)N(CC[NH+](C)C)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121467 181205969 /nfs/dbraw/zinc/20/59/69/181205969.db2.gz QOTAIGZDTURIDK-UHFFFAOYSA-N 1 0 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C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000237212508 202191959 /nfs/dbraw/zinc/19/19/59/202191959.db2.gz ZJTQYBHPSHUTLX-LBPRGKRZSA-N 1 0 300.428 1.084 50 0 DDAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000237252829 202206740 /nfs/dbraw/zinc/20/67/40/202206740.db2.gz HDYFACYBSUADBJ-HZRUHFOJSA-N 1 0 302.374 1.681 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237615866 202306585 /nfs/dbraw/zinc/30/65/85/202306585.db2.gz JWQWZSHQCDSQFP-MJBXVCDLSA-N 1 0 321.421 1.452 50 0 DDAARO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237595061 202296171 /nfs/dbraw/zinc/29/61/71/202296171.db2.gz SJKVKDATDSBHSY-ONGXEEELSA-N 1 0 313.195 1.776 50 0 DDAARO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000237746371 202343497 /nfs/dbraw/zinc/34/34/97/202343497.db2.gz IITKWBVZLOOGHS-BZUAXINKSA-N 1 0 318.417 1.906 50 0 DDAARO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3ccco3)C2)CC1 ZINC000609289817 360288457 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CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252510991 202860934 /nfs/dbraw/zinc/86/09/34/202860934.db2.gz CTFPREOGUOZROL-JONQDZQNSA-N 1 0 309.454 1.806 50 0 DDAARO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000094345789 193363732 /nfs/dbraw/zinc/36/37/32/193363732.db2.gz IZUXPLKGTFFIKG-SKDRFNHKSA-N 1 0 322.352 1.982 50 0 DDAARO O=C(NCCNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000096162705 193557921 /nfs/dbraw/zinc/55/79/21/193557921.db2.gz LUWWQKVQMJCIKO-CQSZACIVSA-N 1 0 319.380 1.061 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000014159286 181930831 /nfs/dbraw/zinc/93/08/31/181930831.db2.gz YLOCRKCKJONEDO-UHFFFAOYSA-N 1 0 323.418 1.832 50 0 DDAARO Cc1ccccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000016362709 182041933 /nfs/dbraw/zinc/04/19/33/182041933.db2.gz NWLZDZJJTHZWGI-UHFFFAOYSA-N 1 0 304.415 1.975 50 0 DDAARO COCCNC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000016695806 182058055 /nfs/dbraw/zinc/05/80/55/182058055.db2.gz DVXPLPJEJXAOKT-SNVBAGLBSA-N 1 0 315.211 1.862 50 0 DDAARO C[N@@H+]1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO ZINC000019839514 182155641 /nfs/dbraw/zinc/15/56/41/182155641.db2.gz AHTTVYVWQHTUSO-INIZCTEOSA-N 1 0 318.396 1.510 50 0 DDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000020502763 182224952 /nfs/dbraw/zinc/22/49/52/182224952.db2.gz YTSUEUGJBIUHRK-UHFFFAOYSA-N 1 0 322.413 1.170 50 0 DDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020707688 182243086 /nfs/dbraw/zinc/24/30/86/182243086.db2.gz PIJBYHLDABKLGY-KRWDZBQOSA-N 1 0 306.450 1.980 50 0 DDAARO C[C@]1(C(=O)NC2CCCC2)CCC(=O)N1CCC[NH+]1CCCC1 ZINC000021366446 182273237 /nfs/dbraw/zinc/27/32/37/182273237.db2.gz KORGBKKDLBNMCX-GOSISDBHSA-N 1 0 321.465 1.912 50 0 DDAARO CN1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000022030243 182305439 /nfs/dbraw/zinc/30/54/39/182305439.db2.gz DMUNWHNYOOHRBQ-WMZOPIPTSA-N 1 0 304.434 1.689 50 0 DDAARO CC[C@H](OC[C@@H](O)C[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000022465837 182322977 /nfs/dbraw/zinc/32/29/77/182322977.db2.gz WONTZVDBJAIKFS-ROUUACIJSA-N 1 0 322.449 1.125 50 0 DDAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000022935666 182342866 /nfs/dbraw/zinc/34/28/66/182342866.db2.gz RDBNUPAUQCUFAD-AWEZNQCLSA-N 1 0 302.422 1.451 50 0 DDAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)no1 ZINC000023106546 182347709 /nfs/dbraw/zinc/34/77/09/182347709.db2.gz VJVZWAONBRKSDT-SNVBAGLBSA-N 1 0 322.390 1.402 50 0 DDAARO CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(F)c1 ZINC000024843664 182392768 /nfs/dbraw/zinc/39/27/68/182392768.db2.gz BONKOSNOBBLEFC-UHFFFAOYSA-N 1 0 307.369 1.978 50 0 DDAARO NC(=O)c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000040526769 183092765 /nfs/dbraw/zinc/09/27/65/183092765.db2.gz DWYHDOWBTGCIPL-UHFFFAOYSA-N 1 0 302.378 1.534 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000040596741 183107139 /nfs/dbraw/zinc/10/71/39/183107139.db2.gz HLWCYPMLQQNSNZ-SNVBAGLBSA-N 1 0 304.362 1.585 50 0 DDAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(N(C)C)c2)CC1 ZINC000041567570 183203878 /nfs/dbraw/zinc/20/38/78/183203878.db2.gz BZHDSLKFZJCWPZ-UHFFFAOYSA-N 1 0 318.465 1.510 50 0 DDAARO CC[NH+](CC)CCNC(=O)C1CCN(C(=O)NC(C)C)CC1 ZINC000042182115 183238817 /nfs/dbraw/zinc/23/88/17/183238817.db2.gz OTYVZGREYRBGQW-UHFFFAOYSA-N 1 0 312.458 1.274 50 0 DDAARO COc1cccc([C@H](CNC(=O)Nc2nncs2)[NH+](C)C)c1 ZINC000043130217 183339649 /nfs/dbraw/zinc/33/96/49/183339649.db2.gz NHGRKEQCDQGLBB-LBPRGKRZSA-N 1 0 321.406 1.971 50 0 DDAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC000044556856 183421543 /nfs/dbraw/zinc/42/15/43/183421543.db2.gz XHHUZISZUJVLMZ-SECBINFHSA-N 1 0 306.790 1.981 50 0 DDAARO CCOC(=O)C1=C(C[NH+]2CCCCCCC2)NC(=O)N[C@H]1C ZINC000057449440 184039144 /nfs/dbraw/zinc/03/91/44/184039144.db2.gz WGVGIMNAFMZFFP-LBPRGKRZSA-N 1 0 309.410 1.771 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C1CCN(C(=O)C3CC3)CC1)CN2 ZINC000058294409 184101767 /nfs/dbraw/zinc/10/17/67/184101767.db2.gz PMFFETKGPZPPSS-CYBMUJFWSA-N 1 0 317.437 1.224 50 0 DDAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](CNC(N)=O)C1 ZINC000058316957 184104821 /nfs/dbraw/zinc/10/48/21/184104821.db2.gz WAYQJMSAOUSXOT-CYBMUJFWSA-N 1 0 313.405 1.819 50 0 DDAARO CCC[NH+]1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000063703162 184286718 /nfs/dbraw/zinc/28/67/18/184286718.db2.gz FDNLCHPLUUITNI-UHFFFAOYSA-N 1 0 319.405 1.467 50 0 DDAARO CC(=O)NCCC(=O)N(CC[NH+](C)C)Cc1ccccc1C ZINC000065382420 184332312 /nfs/dbraw/zinc/33/23/12/184332312.db2.gz JQWMWCKYSHWKCH-UHFFFAOYSA-N 1 0 305.422 1.411 50 0 DDAARO Cc1nonc1CN(C)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065435583 184344633 /nfs/dbraw/zinc/34/46/33/184344633.db2.gz KZJTYMUGRSKCBX-UHFFFAOYSA-N 1 0 316.390 1.665 50 0 DDAARO C[C@@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000065539299 184362860 /nfs/dbraw/zinc/36/28/60/184362860.db2.gz QOHUFLOPFABEAE-HIFRSBDPSA-N 1 0 317.389 1.596 50 0 DDAARO CCO[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000065542486 184363678 /nfs/dbraw/zinc/36/36/78/184363678.db2.gz ZFVTZUKAIXAQIA-AWEZNQCLSA-N 1 0 320.433 1.685 50 0 DDAARO CN(Cc1cnn(-c2ccccc2)n1)C[C@@H](O)C[NH+]1CCCC1 ZINC000069157793 184502203 /nfs/dbraw/zinc/50/22/03/184502203.db2.gz FUXOCPXVOUPGDT-QGZVFWFLSA-N 1 0 315.421 1.156 50 0 DDAARO CS[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1[NH+](C)C ZINC000271608274 209056362 /nfs/dbraw/zinc/05/63/62/209056362.db2.gz JPIHJKLXBQAGOY-STQMWFEESA-N 1 0 304.423 1.144 50 0 DDAARO COc1ccc([C@H](CC(=O)N2CC[NH2+][C@@H](C)C2)NC(C)=O)cc1 ZINC000237255208 257239264 /nfs/dbraw/zinc/23/92/64/257239264.db2.gz ZDQQBVDTVXBFGU-LRDDRELGSA-N 1 0 319.405 1.083 50 0 DDAARO NC(=O)C1CC[NH+](C[C@H](O)CSc2ccc(F)cc2)CC1 ZINC000000119183 406624313 /nfs/dbraw/zinc/62/43/13/406624313.db2.gz YJKCYBDVRKQPRD-ZDUSSCGKSA-N 1 0 312.410 1.476 50 0 DDAARO CCN1C(=O)C[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C1=O ZINC000001070606 406663394 /nfs/dbraw/zinc/66/33/94/406663394.db2.gz UYOXQOZHONDJCB-HNNXBMFYSA-N 1 0 319.380 1.849 50 0 DDAARO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccccc1 ZINC000000295024 406639348 /nfs/dbraw/zinc/63/93/48/406639348.db2.gz VUGWCXWXZGDKIV-HOCLYGCPSA-N 1 0 315.369 1.856 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)NCCc2cccs2)c1 ZINC000069778953 406771656 /nfs/dbraw/zinc/77/16/56/406771656.db2.gz DMPYIHRSXATGBL-UONOGXRCSA-N 1 0 320.462 1.979 50 0 DDAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000006881767 406741978 /nfs/dbraw/zinc/74/19/78/406741978.db2.gz MITYVVHGAMDZJY-CABCVRRESA-N 1 0 323.389 1.406 50 0 DDAARO C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000007001385 406746235 /nfs/dbraw/zinc/74/62/35/406746235.db2.gz ZCRUPIPPBSQXNS-OAHLLOKOSA-N 1 0 303.406 1.103 50 0 DDAARO C[C@H](O)C[NH+]1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000069652244 406748590 /nfs/dbraw/zinc/74/85/90/406748590.db2.gz LSMHNCXQACBSGV-LBPRGKRZSA-N 1 0 321.450 1.042 50 0 DDAARO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 ZINC000069653070 406750671 /nfs/dbraw/zinc/75/06/71/406750671.db2.gz CVHPSHJEIQRWHY-GOEBONIOSA-N 1 0 309.454 1.302 50 0 DDAARO CCN(C(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1)C1CCCCC1 ZINC000069652678 406750789 /nfs/dbraw/zinc/75/07/89/406750789.db2.gz QIPQFBBPQLGEON-HOCLYGCPSA-N 1 0 311.470 1.476 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658883 406751623 /nfs/dbraw/zinc/75/16/23/406751623.db2.gz HCRMSEOWEXHEKJ-MRXNPFEDSA-N 1 0 301.394 1.078 50 0 DDAARO CN1CCO[C@H](C[NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)C1 ZINC000069661345 406753713 /nfs/dbraw/zinc/75/37/13/406753713.db2.gz HMNRIZLAPGLTNJ-RISCZKNCSA-N 1 0 319.232 1.947 50 0 DDAARO OCC[NH+]1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000069667382 406754065 /nfs/dbraw/zinc/75/40/65/406754065.db2.gz KLCGGVMCYYDREJ-UHFFFAOYSA-N 1 0 313.401 1.984 50 0 DDAARO CCn1cc(CN2CCCN(C(=O)C[N@H+](C)C3CC3)CC2)cn1 ZINC000069458739 406717917 /nfs/dbraw/zinc/71/79/17/406717917.db2.gz NRWBDXLMXONFKS-UHFFFAOYSA-N 1 0 319.453 1.032 50 0 DDAARO NC(=[NH2+])Sc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000004525344 406727219 /nfs/dbraw/zinc/72/72/19/406727219.db2.gz VYEVEAXUCMNDMV-UHFFFAOYSA-N 1 0 321.454 1.838 50 0 DDAARO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000069870939 406784323 /nfs/dbraw/zinc/78/43/23/406784323.db2.gz FCLCYCRYHJAFGV-OAHLLOKOSA-N 1 0 314.389 1.962 50 0 DDAARO CN(C)c1ncccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000069876838 406787040 /nfs/dbraw/zinc/78/70/40/406787040.db2.gz OKZSCHNSZRISJZ-UHFFFAOYSA-N 1 0 319.453 1.821 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000069927760 406792958 /nfs/dbraw/zinc/79/29/58/406792958.db2.gz FVWJBIUUDQSIMW-HNNXBMFYSA-N 1 0 308.389 1.877 50 0 DDAARO COc1ccc([C@H](CNc2ccc3nnnn3n2)[NH+](C)C)cc1 ZINC000008735506 406795063 /nfs/dbraw/zinc/79/50/63/406795063.db2.gz SBGHPZXQEYYDPJ-ZDUSSCGKSA-N 1 0 313.365 1.243 50 0 DDAARO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000070018780 406803174 /nfs/dbraw/zinc/80/31/74/406803174.db2.gz OHJXNYCJHFCMLT-GXTWGEPZSA-N 1 0 320.389 1.267 50 0 DDAARO NS(=O)(=O)c1ccc(CNC(=[NH2+])NCc2ccccc2)s1 ZINC000070039217 406806852 /nfs/dbraw/zinc/80/68/52/406806852.db2.gz SSQMUXDHVIFBHT-UHFFFAOYSA-N 1 0 324.431 1.210 50 0 DDAARO C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069951595 406796330 /nfs/dbraw/zinc/79/63/30/406796330.db2.gz ZJSWPIUTXPZTIH-NVXWUHKLSA-N 1 0 323.481 1.644 50 0 DDAARO C[C@@H]1CN(C(=O)c2cn(CC[NH+]3CCCCC3)nn2)C[C@H](C)O1 ZINC000011773316 406830225 /nfs/dbraw/zinc/83/02/25/406830225.db2.gz JUMHLCHAOKFMPS-OKILXGFUSA-N 1 0 321.425 1.013 50 0 DDAARO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000071832905 406850579 /nfs/dbraw/zinc/85/05/79/406850579.db2.gz ABFYGWGWMDQZHV-UHFFFAOYSA-N 1 0 304.394 1.520 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000012835714 406853147 /nfs/dbraw/zinc/85/31/47/406853147.db2.gz DHOZBRDCELHRCV-OAHLLOKOSA-N 1 0 318.421 1.019 50 0 DDAARO COCC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000071877723 406859547 /nfs/dbraw/zinc/85/95/47/406859547.db2.gz IEAITZORVRIDHR-UHFFFAOYSA-N 1 0 308.813 1.752 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000013629466 406863905 /nfs/dbraw/zinc/86/39/05/406863905.db2.gz KRWDXLIODAAAGG-AWEZNQCLSA-N 1 0 314.389 1.707 50 0 DDAARO O[C@@H](C[NH2+]CCn1cccn1)CO[C@@H]1CCCc2ccccc21 ZINC000072254036 406876226 /nfs/dbraw/zinc/87/62/26/406876226.db2.gz LILPTWXYJDHBLD-FUHWJXTLSA-N 1 0 315.417 1.928 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+]CCn2cccn2)c(C)c1 ZINC000072267811 406876543 /nfs/dbraw/zinc/87/65/43/406876543.db2.gz VFMDHBNEIPPRKW-UHFFFAOYSA-N 1 0 300.406 1.748 50 0 DDAARO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+]CCn1cccn1 ZINC000072267835 406876559 /nfs/dbraw/zinc/87/65/59/406876559.db2.gz YDPXOXHQJGNDPR-UHFFFAOYSA-N 1 0 312.826 1.846 50 0 DDAARO CC[C@@H](O)CN1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000072268889 406876830 /nfs/dbraw/zinc/87/68/30/406876830.db2.gz LDAJXPHLSFBRJO-CVEARBPZSA-N 1 0 311.470 1.022 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000072282401 406878494 /nfs/dbraw/zinc/87/84/94/406878494.db2.gz LQMTZHSNKRRHRA-IUODEOHRSA-N 1 0 322.430 1.574 50 0 DDAARO [NH3+]CCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000026421650 406904827 /nfs/dbraw/zinc/90/48/27/406904827.db2.gz LNJJRUFWVWUECW-UHFFFAOYSA-N 1 0 303.753 1.253 50 0 DDAARO CC(C)c1ccc(N2CC[C@H](C(=O)NCC[NH+](C)C)C2=O)cc1 ZINC000034675682 406964750 /nfs/dbraw/zinc/96/47/50/406964750.db2.gz RVAPGFCWXQPMMJ-MRXNPFEDSA-N 1 0 317.433 1.841 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000028232870 406916808 /nfs/dbraw/zinc/91/68/08/406916808.db2.gz BLFWUWVLBOSUJD-UHFFFAOYSA-N 1 0 315.439 1.879 50 0 DDAARO O=C(NCCNc1cc[nH+]cc1)c1ccc(-c2ccco2)[nH]c1=O ZINC000075125831 406922728 /nfs/dbraw/zinc/92/27/28/406922728.db2.gz SWHOSPNHEAHNJM-UHFFFAOYSA-N 1 0 324.340 1.872 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(=O)[nH]1 ZINC000075118819 406923014 /nfs/dbraw/zinc/92/30/14/406923014.db2.gz CNOZDNFVIWPHPE-CQSZACIVSA-N 1 0 315.373 1.843 50 0 DDAARO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000029695577 406925889 /nfs/dbraw/zinc/92/58/89/406925889.db2.gz OPBLOJIBVCZZNS-KRWDZBQOSA-N 1 0 317.433 1.100 50 0 DDAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000036360693 406979409 /nfs/dbraw/zinc/97/94/09/406979409.db2.gz ZLRURVRDAOHBTI-UHFFFAOYSA-N 1 0 302.378 1.564 50 0 DDAARO CN1CCN(C2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC000075604000 406936901 /nfs/dbraw/zinc/93/69/01/406936901.db2.gz ICEXVANBOPTUAL-UHFFFAOYSA-N 1 0 303.406 1.897 50 0 DDAARO O=C(CN1CCSC1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338558 406939263 /nfs/dbraw/zinc/93/92/63/406939263.db2.gz RXVAAFOLHZRFCS-UHFFFAOYSA-N 1 0 319.430 1.330 50 0 DDAARO C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H]1[NH+](C)C ZINC000076050427 406952063 /nfs/dbraw/zinc/95/20/63/406952063.db2.gz MGOSJDPRFXJCKI-WCQYABFASA-N 1 0 306.410 1.678 50 0 DDAARO CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000044888960 407031255 /nfs/dbraw/zinc/03/12/55/407031255.db2.gz RVTKKKMIISEESS-DLBZAZTESA-N 1 0 317.433 1.538 50 0 DDAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@]1(O)CC[NH2+]C1 ZINC000077542259 406995351 /nfs/dbraw/zinc/99/53/51/406995351.db2.gz QSCUIDHDUZWCBJ-QGZVFWFLSA-N 1 0 318.396 1.442 50 0 DDAARO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000038478376 407000890 /nfs/dbraw/zinc/00/08/90/407000890.db2.gz UGAYGSJRKGXOEM-CHWSQXEVSA-N 1 0 309.207 1.984 50 0 DDAARO COc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1C ZINC000048285267 407093809 /nfs/dbraw/zinc/09/38/09/407093809.db2.gz JHGLWCIPLYLOTE-UHFFFAOYSA-N 1 0 306.406 1.846 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1F ZINC000048905465 407109494 /nfs/dbraw/zinc/10/94/94/407109494.db2.gz ZIEOTGNEZOILFQ-LBPRGKRZSA-N 1 0 300.399 1.978 50 0 DDAARO CC[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000047980412 407085344 /nfs/dbraw/zinc/08/53/44/407085344.db2.gz CUPPKWCAMNESIL-OAHLLOKOSA-N 1 0 303.406 1.774 50 0 DDAARO C[NH+](C)C1(CNC(=O)c2ccnc(-n3ccnc3)c2)CCCC1 ZINC000050171078 407128494 /nfs/dbraw/zinc/12/84/94/407128494.db2.gz GXDHTFMVLHDVAA-UHFFFAOYSA-N 1 0 313.405 1.872 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCN1CCCS1(=O)=O)CC2 ZINC000089519898 407139225 /nfs/dbraw/zinc/13/92/25/407139225.db2.gz WJCCEFACXGUXAT-HNNXBMFYSA-N 1 0 324.446 1.178 50 0 DDAARO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000089827693 407152047 /nfs/dbraw/zinc/15/20/47/407152047.db2.gz MQCHJDGQXMHMEV-MRXNPFEDSA-N 1 0 314.429 1.899 50 0 DDAARO C[C@H](NC(=O)NCCC[NH+]1CCCCCC1)c1nncn1C ZINC000089913967 407158677 /nfs/dbraw/zinc/15/86/77/407158677.db2.gz AZYDSDDZIWXIFN-ZDUSSCGKSA-N 1 0 308.430 1.441 50 0 DDAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC000089920170 407158773 /nfs/dbraw/zinc/15/87/73/407158773.db2.gz QMUSPZADJJQRRG-HIFRSBDPSA-N 1 0 320.499 1.435 50 0 DDAARO CC[C@H](O)C[NH+]1CCC(NC(=O)Nc2nc(C)cs2)CC1 ZINC000089943319 407161272 /nfs/dbraw/zinc/16/12/72/407161272.db2.gz WBGWPIKPVZQNIE-LBPRGKRZSA-N 1 0 312.439 1.808 50 0 DDAARO CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2C=CCCC2)CC1 ZINC000066497862 407252349 /nfs/dbraw/zinc/25/23/49/407252349.db2.gz WEOXYDLSWNOMKF-HNNXBMFYSA-N 1 0 308.422 1.829 50 0 DDAARO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(C)cc2)C1 ZINC000096413339 407261390 /nfs/dbraw/zinc/26/13/90/407261390.db2.gz ZPKDTHQNFIEFLS-MRXNPFEDSA-N 1 0 305.422 1.557 50 0 DDAARO Cc1nnc(SCC(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)s1 ZINC000055392941 407203540 /nfs/dbraw/zinc/20/35/40/407203540.db2.gz MRFOMDTWZMMRHG-CYBMUJFWSA-N 1 0 314.480 1.739 50 0 DDAARO O=c1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[nH]c2c(F)cccc12 ZINC000095365495 407209543 /nfs/dbraw/zinc/20/95/43/407209543.db2.gz UIXXHIKZSHAMHN-JTQLQIEISA-N 1 0 324.377 1.192 50 0 DDAARO CCS(=O)(=O)CCNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095365361 407210230 /nfs/dbraw/zinc/21/02/30/407210230.db2.gz QJBUTUOIXBRKMI-HNNXBMFYSA-N 1 0 324.446 1.318 50 0 DDAARO CCS(=O)(=O)CCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095365360 407210295 /nfs/dbraw/zinc/21/02/95/407210295.db2.gz QJBUTUOIXBRKMI-OAHLLOKOSA-N 1 0 324.446 1.318 50 0 DDAARO O=C(CCC[NH+]1CCCCC1)NCc1nnc2n1CCCC2 ZINC000095388787 407213156 /nfs/dbraw/zinc/21/31/56/407213156.db2.gz JQMLZTDQHKEVAI-UHFFFAOYSA-N 1 0 305.426 1.497 50 0 DDAARO C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)CN1C1CC1 ZINC000095410328 407213558 /nfs/dbraw/zinc/21/35/58/407213558.db2.gz CPOLRYPGLKMQGW-ZIAGYGMSSA-N 1 0 303.454 1.762 50 0 DDAARO CC[C@H](C(=O)N1CCN([C@@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943418 407216322 /nfs/dbraw/zinc/21/63/22/407216322.db2.gz SDLMMNAJJPNOFN-GOEBONIOSA-N 1 0 304.438 1.627 50 0 DDAARO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c(C)noc2C)C1 ZINC000095954922 407216755 /nfs/dbraw/zinc/21/67/55/407216755.db2.gz DRYIDVJYLYJBMD-FZMZJTMJSA-N 1 0 309.410 1.655 50 0 DDAARO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000095955538 407217084 /nfs/dbraw/zinc/21/70/84/407217084.db2.gz URVCNCWHYGWQRZ-IRXDYDNUSA-N 1 0 315.417 1.170 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccccn2)CC1 ZINC000058281687 407220229 /nfs/dbraw/zinc/22/02/29/407220229.db2.gz IVIUPEAJTAHKMS-UHFFFAOYSA-N 1 0 311.389 1.158 50 0 DDAARO O=C(Cc1cccc(O)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096415652 407262530 /nfs/dbraw/zinc/26/25/30/407262530.db2.gz XIBSPAHXPIQULE-UHFFFAOYSA-N 1 0 318.417 1.648 50 0 DDAARO O=C(c1ccccc1N1CCOCC1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065397067 407242799 /nfs/dbraw/zinc/24/27/99/407242799.db2.gz QDDIPJFHXGCDJF-CABCVRRESA-N 1 0 315.417 1.490 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1 ZINC000096192068 407246866 /nfs/dbraw/zinc/24/68/66/407246866.db2.gz ZYKRJUYIOPKOIJ-UHFFFAOYSA-N 1 0 313.401 1.909 50 0 DDAARO C[C@@H]1C[C@@H](Nc2cnn(CCN3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000096493825 407272081 /nfs/dbraw/zinc/27/20/81/407272081.db2.gz CHTOXKQMRVXJJI-HUUCEWRRSA-N 1 0 319.453 1.252 50 0 DDAARO COC(=O)[C@@H]1CC[N@H+](CC2(CN3CCOCC3)CCCCC2)C1 ZINC000096489882 407272777 /nfs/dbraw/zinc/27/27/77/407272777.db2.gz XWTSCJNHZZEYPL-MRXNPFEDSA-N 1 0 324.465 1.764 50 0 DDAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000097037641 407276346 /nfs/dbraw/zinc/27/63/46/407276346.db2.gz LVVOOORTGFFHHY-CYBMUJFWSA-N 1 0 309.410 1.719 50 0 DDAARO CC[N@@H+]1CCO[C@H](CCNC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000067648980 407278313 /nfs/dbraw/zinc/27/83/13/407278313.db2.gz DYKCCQAZBFVMQX-CYBMUJFWSA-N 1 0 321.421 1.339 50 0 DDAARO COc1ccc(C[N@@H+]2CC[C@H](CNC(C)=O)C2)c(OC)c1C ZINC000067696549 407280189 /nfs/dbraw/zinc/28/01/89/407280189.db2.gz JMRHEFDAWNAYQO-CQSZACIVSA-N 1 0 306.406 1.970 50 0 DDAARO CN1CCC2(CC1)CN(C(=O)C[C@@H]1CCCC1=O)CCC[N@@H+]2C ZINC000067713737 407281286 /nfs/dbraw/zinc/28/12/86/407281286.db2.gz AXPGHQJYILDNNV-HNNXBMFYSA-N 1 0 321.465 1.374 50 0 DDAARO [NH3+]C[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067713974 407281651 /nfs/dbraw/zinc/28/16/51/407281651.db2.gz MSJIFVDIPKOUIR-GFCCVEGCSA-N 1 0 323.299 1.088 50 0 DDAARO c1ccc(N2CCOCC2)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000097139062 407281976 /nfs/dbraw/zinc/28/19/76/407281976.db2.gz NQYIQBRXGFLBPS-UHFFFAOYSA-N 1 0 318.417 1.862 50 0 DDAARO CNS(=O)(=O)c1ccc(-c2nccn2CCC[NH+](C)C)cc1 ZINC000067841110 407286506 /nfs/dbraw/zinc/28/65/06/407286506.db2.gz SJDQCUYXFMTYRX-UHFFFAOYSA-N 1 0 322.434 1.410 50 0 DDAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]CCF ZINC000067847244 407286954 /nfs/dbraw/zinc/28/69/54/407286954.db2.gz RFGQGSIYHZMXNB-KRWDZBQOSA-N 1 0 308.397 1.532 50 0 DDAARO COc1ccc(-c2cc(C(=O)N3CC[C@H]([NH3+])C3)no2)c(F)c1 ZINC000097228904 407288356 /nfs/dbraw/zinc/28/83/56/407288356.db2.gz GBIJSFRTCCONCS-VIFPVBQESA-N 1 0 305.309 1.663 50 0 DDAARO COCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000067920418 407290200 /nfs/dbraw/zinc/29/02/00/407290200.db2.gz WLNLDKRMLGLQPC-AWEZNQCLSA-N 1 0 313.401 1.819 50 0 DDAARO CCN(CCNC(=O)C[C@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000097347470 407291211 /nfs/dbraw/zinc/29/12/11/407291211.db2.gz LJRALDAKGAJGMX-INIZCTEOSA-N 1 0 305.422 1.316 50 0 DDAARO Cc1cc(C)nc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000097378717 407292606 /nfs/dbraw/zinc/29/26/06/407292606.db2.gz MXBCCKWGOYCHJP-UHFFFAOYSA-N 1 0 319.453 1.846 50 0 DDAARO C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1nnc2n1CC[NH2+]CC2 ZINC000067975778 407292973 /nfs/dbraw/zinc/29/29/73/407292973.db2.gz PFSCIAGMNUGTBQ-LLVKDONJSA-N 1 0 324.388 1.396 50 0 DDAARO Cc1nc(-c2cccnc2)ncc1C(=O)NCC[NH+]1CCCC1 ZINC000097413205 407294021 /nfs/dbraw/zinc/29/40/21/407294021.db2.gz MNACALSSVXFECI-UHFFFAOYSA-N 1 0 311.389 1.673 50 0 DDAARO COc1ccc(-c2n[nH]cc2CN2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000097572109 407300156 /nfs/dbraw/zinc/30/01/56/407300156.db2.gz LRTQSRDYOAAGQE-HOTGVXAUSA-N 1 0 316.405 1.192 50 0 DDAARO CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097711852 407301739 /nfs/dbraw/zinc/30/17/39/407301739.db2.gz DLCZLTINNCFZDJ-OAHLLOKOSA-N 1 0 320.437 1.233 50 0 DDAARO Cc1nc(-c2cc(C(=O)N3CC[NH2+]C[C@@H]3C)n(C)c2)cs1 ZINC000125417742 407387851 /nfs/dbraw/zinc/38/78/51/407387851.db2.gz PMIQPVZCEHRBCN-JTQLQIEISA-N 1 0 304.419 1.891 50 0 DDAARO O=C(NCCCC[NH+]1CCOCC1)NCCc1cccc(O)c1 ZINC000170696551 407477590 /nfs/dbraw/zinc/47/75/90/407477590.db2.gz MCMOORHOFDLWLD-UHFFFAOYSA-N 1 0 321.421 1.346 50 0 DDAARO Cc1ccc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)nc1 ZINC000257180806 407484349 /nfs/dbraw/zinc/48/43/49/407484349.db2.gz DVQSFVHYRXPIIW-GOEBONIOSA-N 1 0 303.406 1.099 50 0 DDAARO CCOc1cc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ncn1 ZINC000128109136 407496217 /nfs/dbraw/zinc/49/62/17/407496217.db2.gz JGLXNSKXFDBHOK-OAHLLOKOSA-N 1 0 319.453 1.482 50 0 DDAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cccnc3N)C2)n1 ZINC000216455408 407496863 /nfs/dbraw/zinc/49/68/63/407496863.db2.gz VISMHXCTPHSLAZ-ZDUSSCGKSA-N 1 0 317.393 1.615 50 0 DDAARO CCCN(CCC[NH+](C)C)c1cc(COC)nc2ncnn21 ZINC000170604977 407452164 /nfs/dbraw/zinc/45/21/64/407452164.db2.gz AWFBKDKYZTYEMC-UHFFFAOYSA-N 1 0 306.414 1.439 50 0 DDAARO CCc1ccc(C[N@H+](C)CCc2c[nH]c(=O)n(C)c2=O)nc1 ZINC000253536643 407453378 /nfs/dbraw/zinc/45/33/78/407453378.db2.gz JAUVQIWDYBXSEF-UHFFFAOYSA-N 1 0 302.378 1.118 50 0 DDAARO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)C1CC1 ZINC000128816151 407575892 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CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000230236359 407684858 /nfs/dbraw/zinc/68/48/58/407684858.db2.gz STWLWRPCRJLLEQ-BZUAXINKSA-N 1 0 315.417 1.511 50 0 DDAARO Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@H]3CC[NH2+]C3)c2)n1 ZINC000179071725 407714798 /nfs/dbraw/zinc/71/47/98/407714798.db2.gz KFUGMISETIXOBX-KRWDZBQOSA-N 1 0 312.417 1.982 50 0 DDAARO CC(C)COc1ncccc1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000152957634 407722127 /nfs/dbraw/zinc/72/21/27/407722127.db2.gz QBUAQXJODQGNHG-LSDHHAIUSA-N 1 0 319.405 1.271 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cnn1C ZINC000240871429 407907008 /nfs/dbraw/zinc/90/70/08/407907008.db2.gz IKMVTCYQEYLGJS-VIFPVBQESA-N 1 0 308.835 1.082 50 0 DDAARO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2CCCC[C@@H]2O)C1 ZINC000241231258 407909188 /nfs/dbraw/zinc/90/91/88/407909188.db2.gz KTJKWVFWUIYRTP-OAGGEKHMSA-N 1 0 311.470 1.911 50 0 DDAARO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)N1CCOC[C@@H]1C ZINC000245289708 407950051 /nfs/dbraw/zinc/95/00/51/407950051.db2.gz DOUKKRWAPAYENX-LXTVHRRPSA-N 1 0 318.483 1.041 50 0 DDAARO Nc1nc(NCCCNc2cccnc2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243914732 407920480 /nfs/dbraw/zinc/92/04/80/407920480.db2.gz BKBYOYLBBMYJMN-TXEJJXNPSA-N 1 0 313.409 1.573 50 0 DDAARO CCCn1nc(C)c(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000244724029 407935428 /nfs/dbraw/zinc/93/54/28/407935428.db2.gz MMHTUQUEDDWAFJ-ZDUSSCGKSA-N 1 0 322.453 1.494 50 0 DDAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1sccc1Cl ZINC000244773892 407938639 /nfs/dbraw/zinc/93/86/39/407938639.db2.gz PIIXDFPBJNUOQW-JTQLQIEISA-N 1 0 302.827 1.836 50 0 DDAARO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)C1CCSCC1 ZINC000244872810 407941956 /nfs/dbraw/zinc/94/19/56/407941956.db2.gz WESIOPHIWGCSLK-UHFFFAOYSA-N 1 0 307.419 1.551 50 0 DDAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000244875120 407945028 /nfs/dbraw/zinc/94/50/28/407945028.db2.gz XMZIGSIKPBRMBB-LLVKDONJSA-N 1 0 324.816 1.037 50 0 DDAARO O=C(Nc1cnn(CC(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000174847776 407994805 /nfs/dbraw/zinc/99/48/05/407994805.db2.gz LEOFKHOTZLNHMC-LBPRGKRZSA-N 1 0 313.352 1.850 50 0 DDAARO Cc1cnccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000274633714 408476458 /nfs/dbraw/zinc/47/64/58/408476458.db2.gz XHNRNGSCXUPARW-UHFFFAOYSA-N 1 0 311.389 1.789 50 0 DDAARO CC(C)NS(=O)(=O)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161947394 408652661 /nfs/dbraw/zinc/65/26/61/408652661.db2.gz PVIHBLIJKIEFMM-OAHLLOKOSA-N 1 0 317.499 1.265 50 0 DDAARO CC[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)[C@H](OC)c1ccccc1 ZINC000252484476 408797021 /nfs/dbraw/zinc/79/70/21/408797021.db2.gz FXKLQVKSJQORAM-YESZJQIVSA-N 1 0 318.417 1.696 50 0 DDAARO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280364292 409299101 /nfs/dbraw/zinc/29/91/01/409299101.db2.gz YJVJGPAFFHACHJ-CJNGLKHVSA-N 1 0 302.374 1.593 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000343438929 410452631 /nfs/dbraw/zinc/45/26/31/410452631.db2.gz NSRHSEYFTNYELA-INIZCTEOSA-N 1 0 321.446 1.600 50 0 DDAARO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CC=CCC1 ZINC000333301027 410471502 /nfs/dbraw/zinc/47/15/02/410471502.db2.gz KJSGYVZZRMLWIH-GFCCVEGCSA-N 1 0 302.382 1.116 50 0 DDAARO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000299782991 410625672 /nfs/dbraw/zinc/62/56/72/410625672.db2.gz QSIGGGAZKMIWMC-AWEZNQCLSA-N 1 0 303.362 1.025 50 0 DDAARO COc1ccc(C(=O)N(C)Cc2cnccn2)cc1OCC[NH3+] ZINC000299781982 410625807 /nfs/dbraw/zinc/62/58/07/410625807.db2.gz VCGYCHUZDPLITD-UHFFFAOYSA-N 1 0 316.361 1.095 50 0 DDAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2cccnc2N)c1 ZINC000299788971 410628890 /nfs/dbraw/zinc/62/88/90/410628890.db2.gz VRIBRSCDMGQZKR-UHFFFAOYSA-N 1 0 300.362 1.240 50 0 DDAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH2+]CC3)cc1 ZINC000299792130 410632435 /nfs/dbraw/zinc/63/24/35/410632435.db2.gz FMUGZORYXGWXEM-UHFFFAOYSA-N 1 0 317.389 1.254 50 0 DDAARO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cccn4cnnc34)C2)C1 ZINC000299797439 410635251 /nfs/dbraw/zinc/63/52/51/410635251.db2.gz RJZHSAZQQTURRE-QGZVFWFLSA-N 1 0 313.405 1.677 50 0 DDAARO CC[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000069769901 287209689 /nfs/dbraw/zinc/20/96/89/287209689.db2.gz QJOUQANKOMOVKT-CVEARBPZSA-N 1 0 323.412 1.395 50 0 DDAARO Cc1ccccc1OCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129665263 196065648 /nfs/dbraw/zinc/06/56/48/196065648.db2.gz QURVKQVDHWWLJP-HNNXBMFYSA-N 1 0 305.422 1.967 50 0 DDAARO Cn1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000132686349 196276023 /nfs/dbraw/zinc/27/60/23/196276023.db2.gz GBFSTUOSVGXBPR-SNVBAGLBSA-N 1 0 304.781 1.914 50 0 DDAARO CC[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)[NH+]1CCCC1 ZINC000044936087 418433801 /nfs/dbraw/zinc/43/38/01/418433801.db2.gz AXRYGLVSHDCTNH-SNVBAGLBSA-N 1 0 320.846 1.226 50 0 DDAARO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)Cn1cccn1 ZINC000044974978 418434970 /nfs/dbraw/zinc/43/49/70/418434970.db2.gz MHNOYHMYIWUVNQ-KRWDZBQOSA-N 1 0 311.389 1.562 50 0 DDAARO C[C@H](CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)[NH+](C)C ZINC000046273039 418446557 /nfs/dbraw/zinc/44/65/57/418446557.db2.gz YHBDIKNSVMQLNE-LLVKDONJSA-N 1 0 320.368 1.875 50 0 DDAARO COc1cccc(COCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000046856156 418450683 /nfs/dbraw/zinc/45/06/83/418450683.db2.gz CCGYWPQJMHJUST-UHFFFAOYSA-N 1 0 306.406 1.814 50 0 DDAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000102147964 418494833 /nfs/dbraw/zinc/49/48/33/418494833.db2.gz RWJBRJUSOVCSJS-LSDHHAIUSA-N 1 0 302.374 1.650 50 0 DDAARO C[NH+]1CCN([C@H]2CCN(C(=O)COCc3ccccc3)C2)CC1 ZINC000220255791 418561541 /nfs/dbraw/zinc/56/15/41/418561541.db2.gz KDGCHSPJCYWXLO-KRWDZBQOSA-N 1 0 317.433 1.052 50 0 DDAARO Cc1cc(N2CCC(n3cnc(C(N)=O)c3N)CC2)cc[nH+]1 ZINC000291143104 222168992 /nfs/dbraw/zinc/16/89/92/222168992.db2.gz ODWSKTCIMZOKLF-UHFFFAOYSA-N 1 0 300.366 1.109 50 0 DDAARO COCC[N@@H+](Cc1ccccc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000239433438 222210343 /nfs/dbraw/zinc/21/03/43/222210343.db2.gz XRWCDBJOPYEFGF-ZWKOTPCHSA-N 1 0 323.433 1.692 50 0 DDAARO C[C@H]1COCC[N@@H+]1C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000328598924 418605352 /nfs/dbraw/zinc/60/53/52/418605352.db2.gz PBGAHPNJNWUWAL-WCQYABFASA-N 1 0 310.360 1.485 50 0 DDAARO O=C(c1c[nH]nc1-c1ccccc1F)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000426489416 419485461 /nfs/dbraw/zinc/48/54/61/419485461.db2.gz VESIXLFQDQUYOB-KBPBESRZSA-N 1 0 316.336 1.029 50 0 DDAARO O=C(NCCc1cn[nH]c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426395926 419456247 /nfs/dbraw/zinc/45/62/47/419456247.db2.gz HSHWPOVONNQNGV-UHFFFAOYSA-N 1 0 323.466 1.175 50 0 DDAARO COC(C)(C)CNC(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000426640591 419519332 /nfs/dbraw/zinc/51/93/32/419519332.db2.gz XTWCOGWQVUOONN-UHFFFAOYSA-N 1 0 320.437 1.724 50 0 DDAARO Cc1nc(C(F)(F)F)ncc1CN1CCO[C@H](CC[NH3+])C1 ZINC000426551801 419507190 /nfs/dbraw/zinc/50/71/90/419507190.db2.gz LSSPCDCMFGUBGN-LLVKDONJSA-N 1 0 304.316 1.353 50 0 DDAARO Cc1cc(=O)cc(C(=O)NC2(C[NH+]3CCCCC3)CC2)n1C ZINC000426582837 419509882 /nfs/dbraw/zinc/50/98/82/419509882.db2.gz 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Cc1cc(C(=O)N2CCC([NH3+])CC2)c2cnn(C(C)C)c2n1 ZINC000096999913 185395958 /nfs/dbraw/zinc/39/59/58/185395958.db2.gz BSUVOLJVKMWZLG-UHFFFAOYSA-N 1 0 301.394 1.884 50 0 DDAARO CC[N@H+](C)C(C)(C)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000095432795 185363859 /nfs/dbraw/zinc/36/38/59/185363859.db2.gz PDGBHTSDGFMOMZ-UHFFFAOYSA-N 1 0 317.433 1.812 50 0 DDAARO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cccn1C ZINC000095435715 185365007 /nfs/dbraw/zinc/36/50/07/185365007.db2.gz NNFDUSKLADCRSY-KBPBESRZSA-N 1 0 309.410 1.749 50 0 DDAARO Cn1cnnc1-c1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000097009883 185396588 /nfs/dbraw/zinc/39/65/88/185396588.db2.gz UYKMRAMMQXVGFQ-LLVKDONJSA-N 1 0 317.418 1.516 50 0 DDAARO NC(=O)CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000095452871 185369476 /nfs/dbraw/zinc/36/94/76/185369476.db2.gz RUJOLRBFXVVHPC-UHFFFAOYSA-N 1 0 305.359 1.504 50 0 DDAARO CN(Cc1cnn(Cc2ccccc2)c1)C[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000328598139 530018565 /nfs/dbraw/zinc/01/85/65/530018565.db2.gz 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ZINC000072302349 191115755 /nfs/dbraw/zinc/11/57/55/191115755.db2.gz IXHREFPIQNNGPH-UHFFFAOYSA-N 1 0 317.364 1.747 50 0 DDAARO Cc1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000225636639 186285652 /nfs/dbraw/zinc/28/56/52/186285652.db2.gz JOOYNIQOCQRURG-NWDGAFQWSA-N 1 0 300.399 1.882 50 0 DDAARO Cn1cc(CN2CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)cn1 ZINC000253396891 186305350 /nfs/dbraw/zinc/30/53/50/186305350.db2.gz RODSXBHGEQGOJK-CYBMUJFWSA-N 1 0 320.359 1.241 50 0 DDAARO Cc1cc2nc(-c3ccccc3)cc(N[C@@H]3C[NH2+]CC[C@H]3O)n2n1 ZINC000072411602 191154047 /nfs/dbraw/zinc/15/40/47/191154047.db2.gz GDWRVEYTMSUEQS-HZPDHXFCSA-N 1 0 323.400 1.839 50 0 DDAARO CN(Cc1nccn1Cc1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC000072432329 191164126 /nfs/dbraw/zinc/16/41/26/191164126.db2.gz UBAXQRDLQQFDDA-KRWDZBQOSA-N 1 0 300.406 1.088 50 0 DDAARO Cc1ncc2c(c1CNC(=O)[C@H]1Cc3ccccc3O1)CC[NH2+]C2 ZINC000072456983 191173505 /nfs/dbraw/zinc/17/35/05/191173505.db2.gz IXORQGUOABLPHC-GOSISDBHSA-N 1 0 323.396 1.656 50 0 DDAARO 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CCOC(=O)c1cnc(N[C@@H]2CCC[N@H+](CCOC)C2)nc1C ZINC000399379707 257234970 /nfs/dbraw/zinc/23/49/70/257234970.db2.gz IEBKHJYDOBPXJY-CYBMUJFWSA-N 1 0 322.409 1.484 50 0 DDAARO C[NH2+]CCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000121061397 195288748 /nfs/dbraw/zinc/28/87/48/195288748.db2.gz KLPPFWHVRJZXOA-UHFFFAOYSA-N 1 0 307.781 1.993 50 0 DDAARO O=C(CSc1nc2ccccc2[nH]1)NCC[NH+]1CCCC1 ZINC000000203530 406630799 /nfs/dbraw/zinc/63/07/99/406630799.db2.gz NMXQCWCZJWXLKL-UHFFFAOYSA-N 1 0 304.419 1.867 50 0 DDAARO Cc1c(C[N@@H+]2CCCC[C@@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC000000757321 406659079 /nfs/dbraw/zinc/65/90/79/406659079.db2.gz JQVITKVTXNPINX-MRXNPFEDSA-N 1 0 315.417 1.831 50 0 DDAARO O=C(NC1CC1)[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000069582821 406739203 /nfs/dbraw/zinc/73/92/03/406739203.db2.gz JATYIHMIBIDBSE-GOEBONIOSA-N 1 0 311.389 1.202 50 0 DDAARO CCn1cc(CN2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000069585942 406739653 /nfs/dbraw/zinc/73/96/53/406739653.db2.gz SRVMBWGDBCDOKM-INIZCTEOSA-N 1 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0 DDAARO C[C@@](CO)([NH2+]CC(=O)NCc1ccccn1)C1CCCCC1 ZINC000072294138 406879558 /nfs/dbraw/zinc/87/95/58/406879558.db2.gz IZWSDGIMMIYQDJ-KRWDZBQOSA-N 1 0 305.422 1.619 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000072298358 406879739 /nfs/dbraw/zinc/87/97/39/406879739.db2.gz LNFHIGQRCFJXDI-GDBMZVCRSA-N 1 0 303.410 1.638 50 0 DDAARO O=C1CC[C@]2(CCC[N@@H+](CCCO)C2)CN1Cc1ccccn1 ZINC000072421334 406881253 /nfs/dbraw/zinc/88/12/53/406881253.db2.gz ROQTXHFWLLIBDT-SFHVURJKSA-N 1 0 317.433 1.669 50 0 DDAARO CC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000021793688 406888831 /nfs/dbraw/zinc/88/88/31/406888831.db2.gz WRBQAIWNHVMRDM-UHFFFAOYSA-N 1 0 303.410 1.444 50 0 DDAARO COc1ccc(OC)c(CN2CCN(c3ncccn3)CC2)c1 ZINC000022779274 406890202 /nfs/dbraw/zinc/89/02/02/406890202.db2.gz XPEFLQHAUPWTAF-UHFFFAOYSA-N 1 0 314.389 1.816 50 0 DDAARO COc1ccccc1N1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000026807827 406906217 /nfs/dbraw/zinc/90/62/17/406906217.db2.gz YAXLSIVRLAQXEQ-UHFFFAOYSA-N 1 0 303.406 1.486 50 0 DDAARO Cc1ccc(N2CCN([C@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034668336 406963918 /nfs/dbraw/zinc/96/39/18/406963918.db2.gz CTFQQXGGRLJCNV-MRXNPFEDSA-N 1 0 318.465 1.183 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NC3CC[NH+](C4CC4)CC3)nc2n1 ZINC000029092074 406920332 /nfs/dbraw/zinc/92/03/32/406920332.db2.gz RBKZMLPVAAVLFQ-UHFFFAOYSA-N 1 0 314.393 1.098 50 0 DDAARO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)o1 ZINC000030656979 406933267 /nfs/dbraw/zinc/93/32/67/406933267.db2.gz KZSUYVXWPULWCT-FZMZJTMJSA-N 1 0 312.435 1.917 50 0 DDAARO CC(C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+](C)C ZINC000030610604 406933854 /nfs/dbraw/zinc/93/38/54/406933854.db2.gz AGYBKQAZUNTTTI-HNNXBMFYSA-N 1 0 316.405 1.099 50 0 DDAARO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc[nH]c1=O ZINC000032721227 406951087 /nfs/dbraw/zinc/95/10/87/406951087.db2.gz HQGZHVFGUWMZEI-UHFFFAOYSA-N 1 0 319.405 1.140 50 0 DDAARO NC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000076206010 406958047 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Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000045966628 407052320 /nfs/dbraw/zinc/05/23/20/407052320.db2.gz HBHJDLPJHUZNAG-UHFFFAOYSA-N 1 0 317.433 1.668 50 0 DDAARO CCN1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000046144126 407055141 /nfs/dbraw/zinc/05/51/41/407055141.db2.gz PHWICLMMRSPOLR-NWDGAFQWSA-N 1 0 309.435 1.335 50 0 DDAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCn3cncn3)C2)nc1 ZINC000084191569 407084550 /nfs/dbraw/zinc/08/45/50/407084550.db2.gz AWVQXCWFARJPMR-CQSZACIVSA-N 1 0 314.393 1.332 50 0 DDAARO COc1ccc([C@@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1F ZINC000089520103 407138713 /nfs/dbraw/zinc/13/87/13/407138713.db2.gz FZXYNRKULRTOJJ-LLVKDONJSA-N 1 0 316.398 1.520 50 0 DDAARO O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000089819082 407152311 /nfs/dbraw/zinc/15/23/11/407152311.db2.gz VLQNVYAGJQDCLW-HOTGVXAUSA-N 1 0 319.449 1.332 50 0 DDAARO CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)N1CCCC1=O ZINC000089941857 407161608 /nfs/dbraw/zinc/16/16/08/407161608.db2.gz LDDLBLODFLXTTG-GOEBONIOSA-N 1 0 321.465 1.863 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053691664 407172894 /nfs/dbraw/zinc/17/28/94/407172894.db2.gz DZLDBDXYPOLWAI-UHFFFAOYSA-N 1 0 319.493 1.957 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC000053810023 407173510 /nfs/dbraw/zinc/17/35/10/407173510.db2.gz WTBHVKYONNMOFW-CQSZACIVSA-N 1 0 313.405 1.872 50 0 DDAARO CO[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000096403429 407259603 /nfs/dbraw/zinc/25/96/03/407259603.db2.gz VXOGGOYDEQVCLP-GOEBONIOSA-N 1 0 305.422 1.126 50 0 DDAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055244897 407199469 /nfs/dbraw/zinc/19/94/69/407199469.db2.gz UQENJCKVMKUOPZ-NSHDSACASA-N 1 0 302.353 1.926 50 0 DDAARO CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055386325 407201954 /nfs/dbraw/zinc/20/19/54/407201954.db2.gz RSRNYISRHJYHCZ-HNNXBMFYSA-N 1 0 316.405 1.916 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nnc2n1CCCC2 ZINC000095358767 407209257 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Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000096435378 407265534 /nfs/dbraw/zinc/26/55/34/407265534.db2.gz YQSRFXONEDIFIT-JTQLQIEISA-N 1 0 320.397 1.932 50 0 DDAARO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)N2CCOCC2)C1 ZINC000096444927 407267231 /nfs/dbraw/zinc/26/72/31/407267231.db2.gz VAXSEYTUHIDGRD-YOEHRIQHSA-N 1 0 312.454 1.402 50 0 DDAARO Cc1nc2ncnn2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000096453192 407268869 /nfs/dbraw/zinc/26/88/69/407268869.db2.gz HJOSGYPIVNDJAA-AWEZNQCLSA-N 1 0 316.409 1.042 50 0 DDAARO CCc1c(C)scc1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067491151 407274779 /nfs/dbraw/zinc/27/47/79/407274779.db2.gz TWZDCMGZXNTQII-RISCZKNCSA-N 1 0 323.462 1.685 50 0 DDAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1c[nH]c(=O)[nH]1 ZINC000067473310 407275221 /nfs/dbraw/zinc/27/52/21/407275221.db2.gz PJYFBYQUYDVDSB-LBPRGKRZSA-N 1 0 306.410 1.478 50 0 DDAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2ccc(F)cc2)[nH+]1 ZINC000067603567 407277543 /nfs/dbraw/zinc/27/75/43/407277543.db2.gz 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XVZCGYVGCGYNFA-LBPRGKRZSA-N 1 0 308.378 1.189 50 0 DDAARO Cc1ccc(NC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000065609379 280915492 /nfs/dbraw/zinc/91/54/92/280915492.db2.gz SOGREXILACZVGA-GFCCVEGCSA-N 1 0 304.394 1.455 50 0 DDAARO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cncnc1N(C)C ZINC000096008035 289569630 /nfs/dbraw/zinc/56/96/30/289569630.db2.gz TWNICJXUWKVTJX-GFCCVEGCSA-N 1 0 306.414 1.539 50 0 DDAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000158371605 295265961 /nfs/dbraw/zinc/26/59/61/295265961.db2.gz MCILEGAVFYGHBZ-GFCCVEGCSA-N 1 0 305.403 1.737 50 0 DDAARO Cc1nc2c(c(N(C)CCOc3ccccc3)n1)CC[NH2+]CC2 ZINC000072407730 331930173 /nfs/dbraw/zinc/93/01/73/331930173.db2.gz BCSMENKJCFMTIX-UHFFFAOYSA-N 1 0 312.417 1.988 50 0 DDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc3nonc31)C2 ZINC000092028557 332117867 /nfs/dbraw/zinc/11/78/67/332117867.db2.gz ODRPHWMECUQUIH-DZGCQCFKSA-N 1 0 316.405 1.765 50 0 DDAARO C[NH+](C)[C@@H]1CCN(CC(=O)NC2(c3cc(F)ccc3F)CC2)C1 ZINC000534646518 334306099 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C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000065440638 184345517 /nfs/dbraw/zinc/34/55/17/184345517.db2.gz JFXSTAMKEJZNCI-CYBMUJFWSA-N 1 0 319.405 1.866 50 0 DDAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1[C@H](C)NS(C)(=O)=O ZINC000065455780 184347090 /nfs/dbraw/zinc/34/70/90/184347090.db2.gz AOEWBRZABXEKAO-NSHDSACASA-N 1 0 323.422 1.704 50 0 DDAARO C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC1 ZINC000065402541 184337394 /nfs/dbraw/zinc/33/73/94/184337394.db2.gz YPRVRXDPFWBVTA-CYBMUJFWSA-N 1 0 301.390 1.250 50 0 DDAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000065552958 184365404 /nfs/dbraw/zinc/36/54/04/184365404.db2.gz VMAPWCRHWTZJHD-AWEZNQCLSA-N 1 0 309.377 1.476 50 0 DDAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1nnc2n1CCC2 ZINC000069322230 184507032 /nfs/dbraw/zinc/50/70/32/184507032.db2.gz WVUQWSLZMQTKFP-CYBMUJFWSA-N 1 0 322.457 1.342 50 0 DDAARO O=S(=O)(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1CC1 ZINC000072134584 285043095 /nfs/dbraw/zinc/04/30/95/285043095.db2.gz 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ZINC000069778936 406771586 /nfs/dbraw/zinc/77/15/86/406771586.db2.gz WKYBJKLFUAIKKP-GJZGRUSLSA-N 1 0 313.405 1.737 50 0 DDAARO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000069654316 406751512 /nfs/dbraw/zinc/75/15/12/406751512.db2.gz RHHHSLPNGMHAKC-ZBFHGGJFSA-N 1 0 322.449 1.799 50 0 DDAARO COc1ccc(OC)c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000069667771 406755406 /nfs/dbraw/zinc/75/54/06/406755406.db2.gz CALKSFFNPQCLMC-INIZCTEOSA-N 1 0 306.406 1.657 50 0 DDAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069696904 406757114 /nfs/dbraw/zinc/75/71/14/406757114.db2.gz VQPBXWWVSXFOBC-GFCCVEGCSA-N 1 0 308.817 1.886 50 0 DDAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1cccnc1-n1ccnc1)CN2 ZINC000069443046 406711705 /nfs/dbraw/zinc/71/17/05/406711705.db2.gz KBURKWALLVSOQL-CYBMUJFWSA-N 1 0 309.377 1.295 50 0 DDAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000069490951 406724081 /nfs/dbraw/zinc/72/40/81/406724081.db2.gz XQVPNUJHUVCQCF-UHFFFAOYSA-N 1 0 312.373 1.585 50 0 DDAARO COCC[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069779781 406771055 /nfs/dbraw/zinc/77/10/55/406771055.db2.gz WXSOKURRDUYIEA-UHFFFAOYSA-N 1 0 305.422 1.152 50 0 DDAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069780265 406771123 /nfs/dbraw/zinc/77/11/23/406771123.db2.gz OPFHKFKWQACWOM-ULQDDVLXSA-N 1 0 323.437 1.294 50 0 DDAARO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000069520311 406729153 /nfs/dbraw/zinc/72/91/53/406729153.db2.gz AAQFRDFHYRPNCA-LLVKDONJSA-N 1 0 317.842 1.345 50 0 DDAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000069527585 406729268 /nfs/dbraw/zinc/72/92/68/406729268.db2.gz RHCSDIKSKSHNKL-MRXNPFEDSA-N 1 0 302.418 1.945 50 0 DDAARO CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000069845354 406782221 /nfs/dbraw/zinc/78/22/21/406782221.db2.gz VHSJQKJIHXJIAH-CYBMUJFWSA-N 1 0 318.412 1.498 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([NH2+]CCOCC(F)(F)F)C2)no1 ZINC000069872047 406784886 /nfs/dbraw/zinc/78/48/86/406784886.db2.gz 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ZINC000241316980 407909305 /nfs/dbraw/zinc/90/93/05/407909305.db2.gz LWPDGAGGOKFPQE-OCCSQVGLSA-N 1 0 312.410 1.991 50 0 DDAARO COc1cccc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c1 ZINC000244633294 407928528 /nfs/dbraw/zinc/92/85/28/407928528.db2.gz GAPCNMCIZNQALQ-BFYDXBDKSA-N 1 0 318.417 1.564 50 0 DDAARO Cc1cc(C)n(CC[NH+]2CCC(c3nnc(CO)n3C)CC2)n1 ZINC000244763831 407937903 /nfs/dbraw/zinc/93/79/03/407937903.db2.gz OWFNQJWQRZHOAA-UHFFFAOYSA-N 1 0 318.425 1.000 50 0 DDAARO O=C(NCc1ccsc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175752699 408196472 /nfs/dbraw/zinc/19/64/72/408196472.db2.gz YRYUODQALVOCLO-CQSZACIVSA-N 1 0 309.435 1.612 50 0 DDAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269274960 408246287 /nfs/dbraw/zinc/24/62/87/408246287.db2.gz VXKBDKFZLYLYMG-GOEBONIOSA-N 1 0 317.433 1.622 50 0 DDAARO CC/C=C(/C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122175272 408261666 /nfs/dbraw/zinc/26/16/66/408261666.db2.gz HOULMQJHFUXBIJ-CGHRZIEDSA-N 1 0 307.438 1.450 50 0 DDAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000269643505 408371973 /nfs/dbraw/zinc/37/19/73/408371973.db2.gz ORNVCTJARFMKBQ-WPRPVWTQSA-N 1 0 320.846 1.130 50 0 DDAARO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCCN(c2ccccc2)C1 ZINC000248334820 408547954 /nfs/dbraw/zinc/54/79/54/408547954.db2.gz GHNVOZNGXVHFIT-ROUUACIJSA-N 1 0 314.433 1.845 50 0 DDAARO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000252479439 408795158 /nfs/dbraw/zinc/79/51/58/408795158.db2.gz BFBZTVBNWZKFSU-HZPDHXFCSA-N 1 0 311.470 1.334 50 0 DDAARO CC[N@@H+]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](OC)c1ccccc1 ZINC000252484473 408797084 /nfs/dbraw/zinc/79/70/84/408797084.db2.gz FXKLQVKSJQORAM-BRWVUGGUSA-N 1 0 318.417 1.696 50 0 DDAARO C[C@H](Cc1cnccn1)N(C)C(=O)CSCC[NH+]1CCCC1 ZINC000252502583 408799630 /nfs/dbraw/zinc/79/96/30/408799630.db2.gz URBYFMZCUQLGRG-CQSZACIVSA-N 1 0 322.478 1.695 50 0 DDAARO O=C1CCCN1[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000252513297 408803332 /nfs/dbraw/zinc/80/33/32/408803332.db2.gz YBDMJDADSYGHAQ-QGPMSJSTSA-N 1 0 300.402 1.732 50 0 DDAARO O=C1NCCCC[C@@H]1[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277721389 408999432 /nfs/dbraw/zinc/99/94/32/408999432.db2.gz JEIMTRRSCOLAFS-KRWDZBQOSA-N 1 0 316.445 1.972 50 0 DDAARO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000408144699 164241515 /nfs/dbraw/zinc/24/15/15/164241515.db2.gz NACJGPMTJHTQKE-KBPBESRZSA-N 1 0 316.409 1.061 50 0 DDAARO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl ZINC000299738665 410604741 /nfs/dbraw/zinc/60/47/41/410604741.db2.gz FAUUEJMKOSUBIX-BXUZGUMPSA-N 1 0 312.797 1.258 50 0 DDAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]c(=O)cc1O ZINC000299773851 410618930 /nfs/dbraw/zinc/61/89/30/410618930.db2.gz FIJKDOKOSSZZCV-LBPRGKRZSA-N 1 0 319.405 1.877 50 0 DDAARO COc1cccc(CCNC(=O)CC[N@H+](C)[C@H]2CCN(C)C2)c1 ZINC000299787300 410628207 /nfs/dbraw/zinc/62/82/07/410628207.db2.gz WBYATWVITDFGHQ-INIZCTEOSA-N 1 0 319.449 1.380 50 0 DDAARO COCCn1cc(NC(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000048251823 418466405 /nfs/dbraw/zinc/46/64/05/418466405.db2.gz OOGZONBEFOAHBZ-ZIAGYGMSSA-N 1 0 323.441 1.629 50 0 DDAARO Cc1cc(N2CCN(Cc3ccccc3F)CC2)nc(N)[nH+]1 ZINC000045724238 418442008 /nfs/dbraw/zinc/44/20/08/418442008.db2.gz AHKARDBLFIAKOH-UHFFFAOYSA-N 1 0 301.369 1.829 50 0 DDAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 ZINC000107505574 418498776 /nfs/dbraw/zinc/49/87/76/418498776.db2.gz YENIODIGEGUDNM-SUYBPPKGSA-N 1 0 316.405 1.795 50 0 DDAARO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1OC ZINC000241837478 222212451 /nfs/dbraw/zinc/21/24/51/222212451.db2.gz SKMIMFSHUJBGPO-HOTGVXAUSA-N 1 0 320.433 1.883 50 0 DDAARO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000245343870 222214871 /nfs/dbraw/zinc/21/48/71/222214871.db2.gz WEUTWINYIHZPFI-YCPHGPKFSA-N 1 0 309.454 1.663 50 0 DDAARO O=C(NCCCn1ccnn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426493171 419486415 /nfs/dbraw/zinc/48/64/15/419486415.db2.gz LKDHZFKRVLCHHE-UHFFFAOYSA-N 1 0 319.453 1.973 50 0 DDAARO COc1cccc(CSc2nnc(CC[NH3+])n2C)c1OC ZINC000426361639 419445444 /nfs/dbraw/zinc/44/54/44/419445444.db2.gz CLVKJJQZRZVKDB-UHFFFAOYSA-N 1 0 308.407 1.626 50 0 DDAARO CSCC[NH+]1CCC(NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426376285 419449349 /nfs/dbraw/zinc/44/93/49/419449349.db2.gz FKANTWZGUAMKDN-UHFFFAOYSA-N 1 0 323.462 1.251 50 0 DDAARO Cc1ccc(F)c(CNC(=O)NC[C@@]2(O)CCC[NH2+]C2)c1F ZINC000426507889 419493897 /nfs/dbraw/zinc/49/38/97/419493897.db2.gz NPIJMIAABYKLQW-OAHLLOKOSA-N 1 0 313.348 1.187 50 0 DDAARO Cc1nnc([C@@H](C)NC(=O)N2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000426443105 419472852 /nfs/dbraw/zinc/47/28/52/419472852.db2.gz XQHGOHOJXQNHIK-GFCCVEGCSA-N 1 0 320.441 1.834 50 0 DDAARO C[NH2+]Cc1nnc(SCc2noc(C)n2)n1C[C@H]1CCCO1 ZINC000426465297 419474877 /nfs/dbraw/zinc/47/48/77/419474877.db2.gz RMBNQYIEPLMFHB-SNVBAGLBSA-N 1 0 324.410 1.160 50 0 DDAARO C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1cnc2ccccc2n1 ZINC000426647871 419524719 /nfs/dbraw/zinc/52/47/19/419524719.db2.gz DYKHGPKIFQOCHM-GFCCVEGCSA-N 1 0 301.394 1.721 50 0 DDAARO O=C(NCc1ccc2sccc2c1)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000426705866 419534243 /nfs/dbraw/zinc/53/42/43/419534243.db2.gz SCUAPZQBYDIPSQ-UONOGXRCSA-N 1 0 319.430 1.671 50 0 DDAARO COc1cccc(C(=O)NCC2(C)COC2)c1OCCC[NH3+] ZINC000299781520 229434620 /nfs/dbraw/zinc/43/46/20/229434620.db2.gz UMJNSITZARWVGT-UHFFFAOYSA-N 1 0 308.378 1.189 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000075126441 274867392 /nfs/dbraw/zinc/86/73/92/274867392.db2.gz SOYDLODQKNEZHX-CQSZACIVSA-N 1 0 300.406 1.888 50 0 DDAARO C[C@H]([C@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2)n1cccn1 ZINC000229566851 278304190 /nfs/dbraw/zinc/30/41/90/278304190.db2.gz IWOSYNMSKRSJSF-OUCADQQQSA-N 1 0 303.362 1.885 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)CC2 ZINC000069894970 279141171 /nfs/dbraw/zinc/14/11/71/279141171.db2.gz NAIKSBPXWLGZHM-GOEBONIOSA-N 1 0 313.405 1.320 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000237451405 279404720 /nfs/dbraw/zinc/40/47/20/279404720.db2.gz FOMFSDXZYWMOMU-NHYWBVRUSA-N 1 0 317.368 1.748 50 0 DDAARO CC1(C)C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C(C)(C)O1 ZINC000090796743 281357427 /nfs/dbraw/zinc/35/74/27/281357427.db2.gz PUGSNVKAHJAZRE-RYUDHWBXSA-N 1 0 304.456 1.204 50 0 DDAARO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247122908 281381534 /nfs/dbraw/zinc/38/15/34/281381534.db2.gz JSWVKTRJGRJAEC-XHSDSOJGSA-N 1 0 319.449 1.481 50 0 DDAARO Cc1nc2c(cnn2C)c(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000071816908 282016467 /nfs/dbraw/zinc/01/64/67/282016467.db2.gz DJIBJEMHFAXISZ-CYBMUJFWSA-N 1 0 300.410 1.736 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000237615673 297016761 /nfs/dbraw/zinc/01/67/61/297016761.db2.gz YHBNSKLIAXPGDG-JJTUDDRGSA-N 1 0 323.481 1.604 50 0 DDAARO O=C1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C2(CCC2)N1 ZINC000367247206 300819166 /nfs/dbraw/zinc/81/91/66/300819166.db2.gz SKSRSZJJBGXPNH-LBPRGKRZSA-N 1 0 319.371 1.804 50 0 DDAARO CN(C)C(=O)c1ccc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)o1 ZINC000534590955 334294365 /nfs/dbraw/zinc/29/43/65/334294365.db2.gz IFMUIMZCFUPTCR-OLZOCXBDSA-N 1 0 319.405 1.472 50 0 DDAARO Cc1ccccc1[C@H](CNC(=O)C(=O)c1cccn1C)[NH+](C)C ZINC000534650529 334311660 /nfs/dbraw/zinc/31/16/60/334311660.db2.gz XBKRSBFQYUQXPU-INIZCTEOSA-N 1 0 313.401 1.935 50 0 DDAARO O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2cccc(O)c2)CC1 ZINC000534652462 334312596 /nfs/dbraw/zinc/31/25/96/334312596.db2.gz HEQPRUHFNGNLDG-AWEZNQCLSA-N 1 0 303.406 1.431 50 0 DDAARO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cn[nH]c1 ZINC000534665522 334318687 /nfs/dbraw/zinc/31/86/87/334318687.db2.gz PONJWTJYMBUZBV-LBPRGKRZSA-N 1 0 312.439 1.343 50 0 DDAARO C[C@@H]1COCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000096406892 337381830 /nfs/dbraw/zinc/38/18/30/337381830.db2.gz MXALHMVJRNTMAO-GFCCVEGCSA-N 1 0 309.385 1.818 50 0 DDAARO Cn1cc([C@]2(C)CN(CCC[NH+]3CCCCC3)CCO2)cn1 ZINC000097103399 337382213 /nfs/dbraw/zinc/38/22/13/337382213.db2.gz FDSZJKGYSXLXPP-KRWDZBQOSA-N 1 0 306.454 1.844 50 0 DDAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(-c2csnn2)cc1 ZINC000151702519 337383289 /nfs/dbraw/zinc/38/32/89/337383289.db2.gz UIYNAOUYDLRDON-ZDUSSCGKSA-N 1 0 318.402 1.912 50 0 DDAARO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000083864219 483984828 /nfs/dbraw/zinc/98/48/28/483984828.db2.gz QVGUGKLHICOHEV-UHFFFAOYSA-N 1 0 320.433 1.508 50 0 DDAARO Cc1nccc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000222101427 490699005 /nfs/dbraw/zinc/69/90/05/490699005.db2.gz ACCRXBCQAKCXQA-SJORKVTESA-N 1 0 310.401 1.875 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000156288967 524845817 /nfs/dbraw/zinc/84/58/17/524845817.db2.gz RNTZPAPXWPOKNK-NWDGAFQWSA-N 1 0 317.368 1.606 50 0 DDAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1=NNC(=O)CC1 ZINC000012091638 696048891 /nfs/dbraw/zinc/04/88/91/696048891.db2.gz 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C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccoc3)no2)C[C@@H]1C ZINC000071864644 406854970 /nfs/dbraw/zinc/85/49/70/406854970.db2.gz QAFBWPAMIVUSQX-NWDGAFQWSA-N 1 0 306.366 1.217 50 0 DDAARO O[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000071875161 406858615 /nfs/dbraw/zinc/85/86/15/406858615.db2.gz BXJISZWIGUNXGJ-DOMZBBRYSA-N 1 0 308.332 1.754 50 0 DDAARO C[NH+](C)C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000071878800 406859875 /nfs/dbraw/zinc/85/98/75/406859875.db2.gz DXLUNCBTVKHCFO-KRWDZBQOSA-N 1 0 300.406 1.635 50 0 DDAARO CC(C)NC(=O)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013985350 406868873 /nfs/dbraw/zinc/86/88/73/406868873.db2.gz ZAWJJNPUXPPECU-UHFFFAOYSA-N 1 0 317.433 1.927 50 0 DDAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1nc(C(C)C)no1)CC2 ZINC000072252970 406874315 /nfs/dbraw/zinc/87/43/15/406874315.db2.gz IJJBFAPNHXFEHY-NSHDSACASA-N 1 0 304.398 1.699 50 0 DDAARO CCC[NH+]1CCC(NS(=O)(=O)c2cccc3nonc32)CC1 ZINC000014252415 406875284 /nfs/dbraw/zinc/87/52/84/406875284.db2.gz 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406965877 /nfs/dbraw/zinc/96/58/77/406965877.db2.gz ILAMBWFPYQIIMZ-OAHLLOKOSA-N 1 0 313.405 1.790 50 0 DDAARO Cc1nn(C)c(Cl)c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000028923030 406919463 /nfs/dbraw/zinc/91/94/63/406919463.db2.gz BSQPMOOYKOJXME-LBPRGKRZSA-N 1 0 315.768 1.828 50 0 DDAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)noc2C)CC1 ZINC000029455334 406923675 /nfs/dbraw/zinc/92/36/75/406923675.db2.gz PPHFIOUTPWPHAQ-UHFFFAOYSA-N 1 0 301.412 1.396 50 0 DDAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2nncn2CC)CC1 ZINC000075603069 406937543 /nfs/dbraw/zinc/93/75/43/406937543.db2.gz IINUNCPRVGHIDO-OAHLLOKOSA-N 1 0 319.453 1.878 50 0 DDAARO OCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616940 406950555 /nfs/dbraw/zinc/95/05/55/406950555.db2.gz POFWGZDUHTYZNB-UHFFFAOYSA-N 1 0 311.345 1.537 50 0 DDAARO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2F)CCCC1 ZINC000032916589 406956812 /nfs/dbraw/zinc/95/68/12/406956812.db2.gz DMNVUASEPOELKA-UHFFFAOYSA-N 1 0 300.399 1.978 50 0 DDAARO COc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000044502412 407025341 /nfs/dbraw/zinc/02/53/41/407025341.db2.gz OLZCKAAGYSWWOT-ZDUSSCGKSA-N 1 0 312.435 1.590 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000044556433 407026722 /nfs/dbraw/zinc/02/67/22/407026722.db2.gz RVTQHXCYRIDITR-SNVBAGLBSA-N 1 0 318.826 1.851 50 0 DDAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000044866824 407029364 /nfs/dbraw/zinc/02/93/64/407029364.db2.gz KTAXRURJCWYLHJ-OAHLLOKOSA-N 1 0 306.406 1.240 50 0 DDAARO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1F ZINC000044937592 407034484 /nfs/dbraw/zinc/03/44/84/407034484.db2.gz BWECPMLJFKXRTJ-QWHCGFSZSA-N 1 0 316.373 1.870 50 0 DDAARO CC1CC[NH+]([C@@H](CNC(=O)NCCO)c2cccs2)CC1 ZINC000044966283 407035906 /nfs/dbraw/zinc/03/59/06/407035906.db2.gz AEENHTIBDJOBGM-ZDUSSCGKSA-N 1 0 311.451 1.813 50 0 DDAARO C[C@@H](Cn1cccn1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000044954832 407036710 /nfs/dbraw/zinc/03/67/10/407036710.db2.gz MITLPANIIXEMSU-GXTWGEPZSA-N 1 0 321.450 1.935 50 0 DDAARO CSCC[C@H](O)C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000077318943 406984484 /nfs/dbraw/zinc/98/44/84/406984484.db2.gz BHXFTQVTNODDRV-HNNXBMFYSA-N 1 0 323.462 1.543 50 0 DDAARO C[C@@H](C1CCN(Cc2nccn2C)CC1)[NH+]1CCN(C)CC1 ZINC000077537416 406995688 /nfs/dbraw/zinc/99/56/88/406995688.db2.gz BWJAQLHPLSRKAI-HNNXBMFYSA-N 1 0 305.470 1.268 50 0 DDAARO CCC(CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1)[NH+]1CCOCC1 ZINC000084727390 407093282 /nfs/dbraw/zinc/09/32/82/407093282.db2.gz GLZHLDLTYQNFMQ-OAHLLOKOSA-N 1 0 321.421 1.242 50 0 DDAARO C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048275492 407094149 /nfs/dbraw/zinc/09/41/49/407094149.db2.gz AVFUIGYTKNYJMQ-KGLIPLIRSA-N 1 0 307.394 1.847 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1F ZINC000048299755 407094962 /nfs/dbraw/zinc/09/49/62/407094962.db2.gz IJSWJYBJWFWTPG-LLVKDONJSA-N 1 0 316.398 1.597 50 0 DDAARO O=C(/C=C/c1cccs1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436579 407101167 /nfs/dbraw/zinc/10/11/67/407101167.db2.gz KVDCQMVEVZHZCR-NFAHFFEMSA-N 1 0 306.431 1.676 50 0 DDAARO CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046993377 407068629 /nfs/dbraw/zinc/06/86/29/407068629.db2.gz VSEBCEPXQMHBAX-UONOGXRCSA-N 1 0 322.430 1.447 50 0 DDAARO O=C(Nc1nncs1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047320276 407071317 /nfs/dbraw/zinc/07/13/17/407071317.db2.gz JQSJFXMFNUKCJT-UHFFFAOYSA-N 1 0 311.411 1.114 50 0 DDAARO c1nc2ncnc(NC3CC[NH+](Cc4ccccn4)CC3)c2[nH]1 ZINC000052407658 407150580 /nfs/dbraw/zinc/15/05/80/407150580.db2.gz XKTGFEMAZUJQRO-UHFFFAOYSA-N 1 0 309.377 1.824 50 0 DDAARO C[N@H+](CCNC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1 ZINC000054763347 407189048 /nfs/dbraw/zinc/18/90/48/407189048.db2.gz PHKJPJAWFHHGHD-UHFFFAOYSA-N 1 0 318.421 1.025 50 0 DDAARO CCNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000055328872 407200273 /nfs/dbraw/zinc/20/02/73/407200273.db2.gz WKIYMFZAFYWUJR-UHFFFAOYSA-N 1 0 318.465 1.904 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CN(C)c2ncc(F)c(N(C)C)n2)C1 ZINC000095366600 407210364 /nfs/dbraw/zinc/21/03/64/407210364.db2.gz ZRFHZHXSRPFLDG-LBPRGKRZSA-N 1 0 311.405 1.086 50 0 DDAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)/C=C/C2CCCCC2)C1 ZINC000096410101 407261755 /nfs/dbraw/zinc/26/17/55/407261755.db2.gz AOPFKUAJMCWKSW-SCOAYWHSSA-N 1 0 321.465 1.827 50 0 DDAARO CCc1cc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)ncn1 ZINC000095374268 407211174 /nfs/dbraw/zinc/21/11/74/407211174.db2.gz DXADUXKQZUJBJA-AWEZNQCLSA-N 1 0 304.438 1.976 50 0 DDAARO CCOCC[N@@H+]1CCN(c2cncc3nccn32)C[C@H]1CC ZINC000095458362 407214592 /nfs/dbraw/zinc/21/45/92/407214592.db2.gz YKBMKVKRGLTWRI-CQSZACIVSA-N 1 0 303.410 1.666 50 0 DDAARO O=C1CNC(=O)N1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000095948401 407215761 /nfs/dbraw/zinc/21/57/61/407215761.db2.gz XLWJWIBPZIZIMN-UHFFFAOYSA-N 1 0 307.781 1.861 50 0 DDAARO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c(C)noc2C)C1 ZINC000095954921 407216853 /nfs/dbraw/zinc/21/68/53/407216853.db2.gz DRYIDVJYLYJBMD-SMDDNHRTSA-N 1 0 309.410 1.655 50 0 DDAARO Cn1c2ccc(F)cc2nc1NC(=O)CN1CCC([NH3+])CC1 ZINC000095971691 407218418 /nfs/dbraw/zinc/21/84/18/407218418.db2.gz WNHYBISPZASOPR-UHFFFAOYSA-N 1 0 305.357 1.074 50 0 DDAARO O[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000065514875 407244597 /nfs/dbraw/zinc/24/45/97/407244597.db2.gz SQPWPERRICPUED-INIZCTEOSA-N 1 0 314.389 1.136 50 0 DDAARO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000123580116 407333433 /nfs/dbraw/zinc/33/34/33/407333433.db2.gz NXDPHQIIKHWMRH-SNVBAGLBSA-N 1 0 308.325 1.736 50 0 DDAARO Cc1ccc(OC2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000102751536 407326501 /nfs/dbraw/zinc/32/65/01/407326501.db2.gz KZBXXPDTCYWBFS-FVQHAEBGSA-N 1 0 300.402 1.830 50 0 DDAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC(=O)N1 ZINC000066946458 407264755 /nfs/dbraw/zinc/26/47/55/407264755.db2.gz RWZRDAQRCOFPGE-MRXNPFEDSA-N 1 0 317.433 1.288 50 0 DDAARO CN(CCc1cccs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096439871 407266663 /nfs/dbraw/zinc/26/66/63/407266663.db2.gz QGOGMJAKTDUANN-ZIAGYGMSSA-N 1 0 323.462 1.795 50 0 DDAARO CC(C)[C@@H](C(=O)NC[C@@](C)(O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000096450403 407268620 /nfs/dbraw/zinc/26/86/20/407268620.db2.gz TWGUULUSSRAFST-DOTOQJQBSA-N 1 0 322.453 1.254 50 0 DDAARO CCS(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000096456145 407269353 /nfs/dbraw/zinc/26/93/53/407269353.db2.gz BVQHGEOPUDOUQI-ZIAGYGMSSA-N 1 0 318.483 1.547 50 0 DDAARO CC[C@H]([NH3+])C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000097019062 407275402 /nfs/dbraw/zinc/27/54/02/407275402.db2.gz OGGOHJGBOSGGKC-VIFPVBQESA-N 1 0 306.391 1.144 50 0 DDAARO COc1ccc(C)c(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097076735 407278009 /nfs/dbraw/zinc/27/80/09/407278009.db2.gz NIZCJCUCRKSODR-AWEZNQCLSA-N 1 0 318.421 1.515 50 0 DDAARO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000067757130 407282926 /nfs/dbraw/zinc/28/29/26/407282926.db2.gz FRNIZYLIVNZPPO-LBPRGKRZSA-N 1 0 311.455 1.442 50 0 DDAARO CCOC(=O)c1nn(CCCc2cccnc2)c2c1C[NH2+]CC2 ZINC000067771466 407283402 /nfs/dbraw/zinc/28/34/02/407283402.db2.gz CGSAOJURHCDWPZ-UHFFFAOYSA-N 1 0 314.389 1.733 50 0 DDAARO CCC[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067758367 407283406 /nfs/dbraw/zinc/28/34/06/407283406.db2.gz IZVADBKNQGFOBC-GOSISDBHSA-N 1 0 304.434 1.972 50 0 DDAARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC)cc1C ZINC000097229433 407288550 /nfs/dbraw/zinc/28/85/50/407288550.db2.gz ZTLPDKGHEMVRHI-UHFFFAOYSA-N 1 0 300.424 1.799 50 0 DDAARO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCO1 ZINC000097373218 407291798 /nfs/dbraw/zinc/29/17/98/407291798.db2.gz XJZSKRMWCGFBKW-WFASDCNBSA-N 1 0 312.435 1.594 50 0 DDAARO CC(C)=CC(=O)NCC[C@H]1CN(C2CC[NH+](C)CC2)CCO1 ZINC000067947837 407292445 /nfs/dbraw/zinc/29/24/45/407292445.db2.gz BESOMVKJDABYEX-INIZCTEOSA-N 1 0 309.454 1.254 50 0 DDAARO COCc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000097468389 407298283 /nfs/dbraw/zinc/29/82/83/407298283.db2.gz VTXLTRDAKGQSDD-INIZCTEOSA-N 1 0 306.406 1.410 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000097475511 407298629 /nfs/dbraw/zinc/29/86/29/407298629.db2.gz UTOFLEWQZOKXJQ-SNVBAGLBSA-N 1 0 324.812 1.867 50 0 DDAARO CN(C(=O)c1cnc(Nc2ccccc2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000097532513 407299518 /nfs/dbraw/zinc/29/95/18/407299518.db2.gz HIJRTTJEZCQGDY-OAHLLOKOSA-N 1 0 311.389 1.996 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C\c3ccccn3)CC2)CCO1 ZINC000098055816 407304937 /nfs/dbraw/zinc/30/49/37/407304937.db2.gz KVOYDPVFDTZZEV-IYKSTZQJSA-N 1 0 315.417 1.807 50 0 DDAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@@](CO)(CC3CC3)C2)CC1 ZINC000107678438 407378298 /nfs/dbraw/zinc/37/82/98/407378298.db2.gz QQOHUPCWOJOEBW-GOSISDBHSA-N 1 0 323.481 1.025 50 0 DDAARO COc1ccc(Cn2cc(C(=O)N3CC[NH2+]C[C@@H]3C)cn2)cc1 ZINC000125598281 407392902 /nfs/dbraw/zinc/39/29/02/407392902.db2.gz UYZUULAQQYOQHD-ZDUSSCGKSA-N 1 0 314.389 1.374 50 0 DDAARO O=C(C[C@@H]1CCS(=O)(=O)C1)NCC[NH2+]C1CCCCCC1 ZINC000127491320 407438959 /nfs/dbraw/zinc/43/89/59/407438959.db2.gz 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ZINC000257193585 407487775 /nfs/dbraw/zinc/48/77/75/407487775.db2.gz ZCKTUJGWRBCONS-HNNXBMFYSA-N 1 0 321.465 1.768 50 0 DDAARO COc1ccc(CN2CCN3CC[N@H+](C)C[C@H]3C2)cc1OC ZINC000215770201 407489112 /nfs/dbraw/zinc/48/91/12/407489112.db2.gz NHRONYHMTYHFFU-HNNXBMFYSA-N 1 0 305.422 1.135 50 0 DDAARO O=C(C1CC1)N1CCC[NH2+]CCNC(=O)C[C@H]1c1ccccc1 ZINC000257195615 407489915 /nfs/dbraw/zinc/48/99/15/407489915.db2.gz WMKNKWOZRDUOGG-INIZCTEOSA-N 1 0 315.417 1.466 50 0 DDAARO CCc1ncc(CN2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000216416163 407493901 /nfs/dbraw/zinc/49/39/01/407493901.db2.gz XWUDGRUIPTXZHT-UHFFFAOYSA-N 1 0 303.454 1.251 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178568565 407496439 /nfs/dbraw/zinc/49/64/39/407496439.db2.gz XZHYEZFNTXUBOC-LBPRGKRZSA-N 1 0 310.419 1.291 50 0 DDAARO COCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000151816566 407504179 /nfs/dbraw/zinc/50/41/79/407504179.db2.gz DDEHGEGLILIIDQ-HNNXBMFYSA-N 1 0 319.405 1.438 50 0 DDAARO CC(C)[NH+]1CCN(CCCSc2nnc(N)s2)CC1 ZINC000170605501 407452571 /nfs/dbraw/zinc/45/25/71/407452571.db2.gz AVAOWYFRLVLNRM-UHFFFAOYSA-N 1 0 301.485 1.629 50 0 DDAARO Cc1nn(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(C)c1C ZINC000219577819 407531976 /nfs/dbraw/zinc/53/19/76/407531976.db2.gz SFIMMCSBFASQDB-HOTGVXAUSA-N 1 0 320.437 1.178 50 0 DDAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@@H]2C)CC1 ZINC000229918624 407675299 /nfs/dbraw/zinc/67/52/99/407675299.db2.gz BFZXORIPESDPIG-CGTJXYLNSA-N 1 0 305.466 1.970 50 0 DDAARO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000230192439 407681046 /nfs/dbraw/zinc/68/10/46/407681046.db2.gz KQMZNCHAORTNLK-CABCVRRESA-N 1 0 306.454 1.932 50 0 DDAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)o1 ZINC000171601317 407717898 /nfs/dbraw/zinc/71/78/98/407717898.db2.gz RCANXPQPLKWNNM-LBPRGKRZSA-N 1 0 304.350 1.570 50 0 DDAARO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCOC2)c(C)s1 ZINC000178942670 407665066 /nfs/dbraw/zinc/66/50/66/407665066.db2.gz XXXKLWXEOGJYCF-NSHDSACASA-N 1 0 304.437 1.022 50 0 DDAARO O=C(NC[C@H](O)c1ccccc1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000153567392 407855665 /nfs/dbraw/zinc/85/56/65/407855665.db2.gz YLOQVHCXGQUYJP-IRXDYDNUSA-N 1 0 314.360 1.690 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Br)C1 ZINC000237986305 407862668 /nfs/dbraw/zinc/86/26/68/407862668.db2.gz XUGATKVNEUVOKF-SSDOTTSWSA-N 1 0 323.187 1.310 50 0 DDAARO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2ccnn2CC)C1 ZINC000241587837 407909395 /nfs/dbraw/zinc/90/93/95/407909395.db2.gz OXOVPORIBAYCBA-CQSZACIVSA-N 1 0 302.426 1.937 50 0 DDAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc([S@@](C)=O)c3)[C@@H]2C1 ZINC000272519171 407957999 /nfs/dbraw/zinc/95/79/99/407957999.db2.gz YBYZBWMEQMTASA-AVKZDSLQSA-N 1 0 321.446 1.982 50 0 DDAARO O[C@@H](CCc1ccccc1)C[NH2+][C@H](Cn1cncn1)C1CC1 ZINC000242191419 407915588 /nfs/dbraw/zinc/91/55/88/407915588.db2.gz XFJUTRVDLNCEFZ-DLBZAZTESA-N 1 0 300.406 1.640 50 0 DDAARO O=C(CC[N@H+]1CCC[C@@H](CO)C1)Nc1nnc(C2CC2)s1 ZINC000243902037 407921652 /nfs/dbraw/zinc/92/16/52/407921652.db2.gz BFHGSFSWBIDMIF-SNVBAGLBSA-N 1 0 310.423 1.448 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000153920356 407931721 /nfs/dbraw/zinc/93/17/21/407931721.db2.gz VLKHBTIVLVJGCP-MGPQQGTHSA-N 1 0 305.426 1.439 50 0 DDAARO Nc1nc(N2CCC(c3ncon3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244816978 407942692 /nfs/dbraw/zinc/94/26/92/407942692.db2.gz SSDTXTWMNNWHNP-PHIMTYICSA-N 1 0 316.365 1.064 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C[C@@H](C)[NH2+]1 ZINC000154270834 408008345 /nfs/dbraw/zinc/00/83/45/408008345.db2.gz LLDDYLJKNRVIDP-VXGBXAGGSA-N 1 0 319.380 1.775 50 0 DDAARO C[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)[C@H]1C[NH3+] ZINC000156871845 408278910 /nfs/dbraw/zinc/27/89/10/408278910.db2.gz PPXVJHJHGYRDLK-GWCFXTLKSA-N 1 0 300.362 1.123 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000246578558 408294983 /nfs/dbraw/zinc/29/49/83/408294983.db2.gz VMRAYTGVRFMFEG-RBSFLKMASA-N 1 0 311.495 1.762 50 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C[C@H](CCC(=O)NCc1ccc(C(=O)N(C)C)o1)[NH+]1CCCC1 ZINC000299777108 410621348 /nfs/dbraw/zinc/62/13/48/410621348.db2.gz OJAQROINQAWCIQ-CYBMUJFWSA-N 1 0 321.421 1.862 50 0 DDAARO CN1CC[NH+](CC2(CNC(=O)c3ccc(F)c(O)c3)CC2)CC1 ZINC000299795826 410633919 /nfs/dbraw/zinc/63/39/19/410633919.db2.gz MUZYCEBHSQQHTP-UHFFFAOYSA-N 1 0 321.396 1.289 50 0 DDAARO CCCCOc1cccc(NC(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000299800059 410638255 /nfs/dbraw/zinc/63/82/55/410638255.db2.gz ZKPXCSNXUQUPMK-MRXNPFEDSA-N 1 0 307.394 1.711 50 0 DDAARO O=C(NCc1nnc[nH]1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299803015 410641080 /nfs/dbraw/zinc/64/10/80/410641080.db2.gz UGTVEEXBQDJTMF-ZNMIVQPWSA-N 1 0 311.389 1.647 50 0 DDAARO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000044910419 418432073 /nfs/dbraw/zinc/43/20/73/418432073.db2.gz AACVBKLRHFGVAK-HIFRSBDPSA-N 1 0 304.394 1.481 50 0 DDAARO c1ccc(-n2nnnc2CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000044910558 418432685 /nfs/dbraw/zinc/43/26/85/418432685.db2.gz ONEBCUFEALHBTH-UHFFFAOYSA-N 1 0 312.421 1.723 50 0 DDAARO O=C(NCc1cc[nH]n1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000044966390 418434276 /nfs/dbraw/zinc/43/42/76/418434276.db2.gz PWHZYSKQGLYRMJ-UHFFFAOYSA-N 1 0 321.425 1.244 50 0 DDAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000257365921 418567914 /nfs/dbraw/zinc/56/79/14/418567914.db2.gz BUGIQPAGIHFNCW-LDYMZIIASA-N 1 0 306.790 1.708 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C)n(C)c1=O ZINC000257365634 418568552 /nfs/dbraw/zinc/56/85/52/418568552.db2.gz BRQFRJWFNDQHMU-HZPDHXFCSA-N 1 0 317.433 1.783 50 0 DDAARO CCOCCN1CC[N@H+](CCC(=O)N2CCCCC2)C[C@H]1C ZINC000239591363 222210451 /nfs/dbraw/zinc/21/04/51/222210451.db2.gz BBCDERHMDJXWHH-MRXNPFEDSA-N 1 0 311.470 1.432 50 0 DDAARO CCCCc1nc(CN2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)no1 ZINC000240454703 222210714 /nfs/dbraw/zinc/21/07/14/222210714.db2.gz FYFPBJQMUNYTNZ-KBPBESRZSA-N 1 0 310.442 1.689 50 0 DDAARO COc1ccccc1OCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000242147530 222211488 /nfs/dbraw/zinc/21/14/88/222211488.db2.gz WSLVAZXEMKHPCI-GJZGRUSLSA-N 1 0 308.422 1.461 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000241644516 222212157 /nfs/dbraw/zinc/21/21/57/222212157.db2.gz PRKLZYWQHWAHIN-YJNKXOJESA-N 1 0 308.426 1.414 50 0 DDAARO CC(C)SCC[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000408518950 418807282 /nfs/dbraw/zinc/80/72/82/418807282.db2.gz MKGQSBCSPZNXQC-CYBMUJFWSA-N 1 0 305.451 2.357 50 0 DDAARO CC(=O)Nc1ccc(NC(=O)CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000408525756 418808892 /nfs/dbraw/zinc/80/88/92/418808892.db2.gz CPIQUSZCHGPIRY-UHFFFAOYSA-N 1 0 318.421 1.610 50 0 DDAARO CCCOc1cccc(CCNC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000417920372 419389017 /nfs/dbraw/zinc/38/90/17/419389017.db2.gz YXQCEIDHTTZMRP-INIZCTEOSA-N 1 0 321.421 1.306 50 0 DDAARO C[NH2+]Cc1nnc(SCc2ccnn2C)n1C[C@@H]1CCCO1 ZINC000426387335 419453014 /nfs/dbraw/zinc/45/30/14/419453014.db2.gz UYZFLXLJFFKKCF-LBPRGKRZSA-N 1 0 322.438 1.202 50 0 DDAARO CC(C)(C(=O)N1CC[C@](O)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000426707339 419536418 /nfs/dbraw/zinc/53/64/18/419536418.db2.gz DDISIUOIIITDQI-GOSISDBHSA-N 1 0 302.418 1.981 50 0 DDAARO Cc1ncsc1CCNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000426544363 419501650 /nfs/dbraw/zinc/50/16/50/419501650.db2.gz IECVNWWKRNNUHB-QWHCGFSZSA-N 1 0 308.451 1.872 50 0 DDAARO CCc1nnc(CNC(=O)c2cccc(OCC[NH3+])c2)s1 ZINC000426563287 419506197 /nfs/dbraw/zinc/50/61/97/419506197.db2.gz LTYHAHUBZVVYCP-UHFFFAOYSA-N 1 0 306.391 1.368 50 0 DDAARO C[C@H](CCc1ccccc1F)[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000299740895 229377369 /nfs/dbraw/zinc/37/73/69/229377369.db2.gz CBFDTKWRADSWEL-UHOFOFEASA-N 1 0 304.369 1.968 50 0 DDAARO CCO[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)C12CCCCC2 ZINC000662475620 424660025 /nfs/dbraw/zinc/66/00/25/424660025.db2.gz PYACLMAEEHWURJ-KBPBESRZSA-N 1 0 321.425 1.095 50 0 DDAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000237005093 287715687 /nfs/dbraw/zinc/71/56/87/287715687.db2.gz AYBGDQSUHXAHPF-IHRRRGAJSA-N 1 0 307.442 1.938 50 0 DDAARO C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)CN1C1CC1 ZINC000095410326 278025738 /nfs/dbraw/zinc/02/57/38/278025738.db2.gz CPOLRYPGLKMQGW-KGLIPLIRSA-N 1 0 303.454 1.762 50 0 DDAARO CC[N@H+](CC(=O)N1CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885622 279051100 /nfs/dbraw/zinc/05/11/00/279051100.db2.gz KTNKXSCFMLDEFD-HNNXBMFYSA-N 1 0 320.433 1.807 50 0 DDAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1nnc(-c2ccccc2)s1 ZINC000097019767 279781608 /nfs/dbraw/zinc/78/16/08/279781608.db2.gz DCGJIXMZLBYXRL-GFCCVEGCSA-N 1 0 318.402 1.912 50 0 DDAARO CCc1c(C)cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(=O)n1C ZINC000072158560 281368693 /nfs/dbraw/zinc/36/86/93/281368693.db2.gz BQZBVLXKNWSCSM-CQSZACIVSA-N 1 0 319.449 1.812 50 0 DDAARO Cc1cc(C)c2[nH]c(C[N@H+](C)C[C@H]3COCCO3)cc(=O)c2c1 ZINC000091269903 332102473 /nfs/dbraw/zinc/10/24/73/332102473.db2.gz PJJXEZMTCRVRRW-HNNXBMFYSA-N 1 0 316.401 1.992 50 0 DDAARO C[NH+](C)CC[C@@H](NS(=O)(=O)N1CCCC1)c1ccccc1 ZINC000534579693 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CCCCn1c2nc(C[NH2+]CCC(C)C)n(C)c2c(=O)[nH]c1=O ZINC000006590318 181358744 /nfs/dbraw/zinc/35/87/44/181358744.db2.gz ZEEWMYBYIXZSSA-UHFFFAOYSA-N 1 0 321.425 1.359 50 0 DDAARO [NH3+]CCn1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)nn1 ZINC000091350523 193044341 /nfs/dbraw/zinc/04/43/41/193044341.db2.gz YTFZJWVFCCFWNT-CYBMUJFWSA-N 1 0 303.366 1.587 50 0 DDAARO CSCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091486043 193062156 /nfs/dbraw/zinc/06/21/56/193062156.db2.gz OHRCCOMIQOAPFK-LSDHHAIUSA-N 1 0 305.447 1.867 50 0 DDAARO CCC[C@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C[C@@H]1[NH3+] ZINC000091680373 193089879 /nfs/dbraw/zinc/08/98/79/193089879.db2.gz PYEPWSMVXDXDPM-AAEUAGOBSA-N 1 0 314.389 1.982 50 0 DDAARO CC(C)c1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C(C)C)C2)c(=O)n1C ZINC000091965391 193133445 /nfs/dbraw/zinc/13/34/45/193133445.db2.gz QNNVXLKAKWXTDV-KGLIPLIRSA-N 1 0 305.422 1.564 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1CO ZINC000092047019 193147489 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CCc1ccc(N2C[C@H](C(=O)NCC[NH+](C)C)CC2=O)cc1 ZINC000034916346 182744027 /nfs/dbraw/zinc/74/40/27/182744027.db2.gz WHLSQARWYVXUOA-CQSZACIVSA-N 1 0 303.406 1.280 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000126404617 248279436 /nfs/dbraw/zinc/27/94/36/248279436.db2.gz UPUPXFDICICIOA-LBPRGKRZSA-N 1 0 301.390 1.324 50 0 DDAARO Cc1nc(C(=O)NCC(C)(C)[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000040473779 183074159 /nfs/dbraw/zinc/07/41/59/183074159.db2.gz OJTMJLDOTJCVLN-UHFFFAOYSA-N 1 0 319.384 1.785 50 0 DDAARO CC1CC[NH+](CCCCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000040539637 183096084 /nfs/dbraw/zinc/09/60/84/183096084.db2.gz UIBOFQGWTHDEEY-UHFFFAOYSA-N 1 0 314.455 1.211 50 0 DDAARO COc1ccc(OC)c(C[NH2+]CCCSc2nnnn2C)c1 ZINC000041154171 183178540 /nfs/dbraw/zinc/17/85/40/183178540.db2.gz RVUVRGAZOHDYEN-UHFFFAOYSA-N 1 0 323.422 1.499 50 0 DDAARO OCC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000056492370 184013940 /nfs/dbraw/zinc/01/39/40/184013940.db2.gz PEWWVDZSKDRNKR-UHFFFAOYSA-N 1 0 318.339 1.738 50 0 DDAARO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000056156892 184006163 /nfs/dbraw/zinc/00/61/63/184006163.db2.gz JQVVNRWQXWFPDO-NEPJUHHUSA-N 1 0 307.394 1.969 50 0 DDAARO COCCCNC(=O)C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000056308226 184009590 /nfs/dbraw/zinc/00/95/90/184009590.db2.gz HZBQOCUWZALKKX-UHFFFAOYSA-N 1 0 309.410 1.656 50 0 DDAARO CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000057000324 184024193 /nfs/dbraw/zinc/02/41/93/184024193.db2.gz MCMOQSIKSLUKMD-UHFFFAOYSA-N 1 0 304.390 1.920 50 0 DDAARO CC(C)C[NH+]1CCC(C(=O)NCCNC(=O)c2ccoc2)CC1 ZINC000057360997 184036231 /nfs/dbraw/zinc/03/62/31/184036231.db2.gz PETJETKVLMLRPW-UHFFFAOYSA-N 1 0 321.421 1.494 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000058166927 184083484 /nfs/dbraw/zinc/08/34/84/184083484.db2.gz GXDGVIDZVOUMEO-CYBMUJFWSA-N 1 0 302.374 1.814 50 0 DDAARO COc1ccc(CC2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000058179800 184085734 /nfs/dbraw/zinc/08/57/34/184085734.db2.gz RAKKLVPPYGWRMT-UHFFFAOYSA-N 1 0 319.405 1.535 50 0 DDAARO CCC(C)(C)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000058225236 184090348 /nfs/dbraw/zinc/09/03/48/184090348.db2.gz IKJOVPJDSITALE-UHFFFAOYSA-N 1 0 323.422 1.344 50 0 DDAARO COc1c(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000058391477 184111289 /nfs/dbraw/zinc/11/12/89/184111289.db2.gz XDVUMTKMEDGXPK-STQMWFEESA-N 1 0 324.469 1.715 50 0 DDAARO O=C(CSc1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058268221 184097846 /nfs/dbraw/zinc/09/78/46/184097846.db2.gz NAWMPGOBUOJBNJ-ZIAGYGMSSA-N 1 0 306.431 1.758 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000058296746 184102338 /nfs/dbraw/zinc/10/23/38/184102338.db2.gz BRZDWLCZYIKYKI-HUUCEWRRSA-N 1 0 318.417 1.845 50 0 DDAARO C[NH+](C)CCn1cc(NC(=O)CCOc2ccccc2)cn1 ZINC000061647027 184181437 /nfs/dbraw/zinc/18/14/37/184181437.db2.gz ZRYXBVKAQLTLMZ-UHFFFAOYSA-N 1 0 302.378 1.852 50 0 DDAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000063159876 184275045 /nfs/dbraw/zinc/27/50/45/184275045.db2.gz OCAFZWNPYRVHAS-UHFFFAOYSA-N 1 0 304.362 1.585 50 0 DDAARO Cc1nc(C(=O)NC[C@H](C)[NH+](C)C)nn1-c1ccccc1Cl ZINC000064032837 184292194 /nfs/dbraw/zinc/29/21/94/184292194.db2.gz ALQNKMOQZYMGKZ-JTQLQIEISA-N 1 0 321.812 1.909 50 0 DDAARO CCOc1cc2c(c(C[NH2+]C[C@H]3CN(C)CCO3)c1)O[C@H](C)C2 ZINC000065611348 184373693 /nfs/dbraw/zinc/37/36/93/184373693.db2.gz DKPOTJFJCJANAX-DYVFJYSZSA-N 1 0 320.433 1.829 50 0 DDAARO c1cnn(-c2ccccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)c1 ZINC000069464646 184517847 /nfs/dbraw/zinc/51/78/47/184517847.db2.gz OCBVFIFOXLUHLT-CQSZACIVSA-N 1 0 308.389 1.900 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c2cccnc12 ZINC000158383041 197267343 /nfs/dbraw/zinc/26/73/43/197267343.db2.gz VOCCEDMYZADUHW-LBPRGKRZSA-N 1 0 305.403 1.655 50 0 DDAARO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000521394590 257241092 /nfs/dbraw/zinc/24/10/92/257241092.db2.gz MBDMMRDBQYEJNN-CHWSQXEVSA-N 1 0 312.435 1.974 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc2sccc2[nH]1 ZINC000222480698 407557825 /nfs/dbraw/zinc/55/78/25/407557825.db2.gz GZMPLTSZNMGGCC-DSMZTOPNSA-N 1 0 305.403 1.677 50 0 DDAARO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000069371732 406703256 /nfs/dbraw/zinc/70/32/56/406703256.db2.gz PTNJPRULZNBIJT-SJORKVTESA-N 1 0 320.433 1.883 50 0 DDAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000068935927 406671856 /nfs/dbraw/zinc/67/18/56/406671856.db2.gz ZNQBJGFISXNOQA-CYBMUJFWSA-N 1 0 314.393 1.122 50 0 DDAARO CCCC[N@H+](C)CCNC(=O)Cn1c2ccccc2sc1=O ZINC000002461527 406687359 /nfs/dbraw/zinc/68/73/59/406687359.db2.gz TUKTZWXBTFBWCM-UHFFFAOYSA-N 1 0 321.446 1.911 50 0 DDAARO [NH3+]CCS[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000002884679 406705222 /nfs/dbraw/zinc/70/52/22/406705222.db2.gz JKHIARRWOKWBAV-JTQLQIEISA-N 1 0 302.758 1.803 50 0 DDAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000069537702 406731755 /nfs/dbraw/zinc/73/17/55/406731755.db2.gz 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406717222 /nfs/dbraw/zinc/71/72/22/406717222.db2.gz IKWFYPUTQSTJBY-CYBMUJFWSA-N 1 0 319.449 1.780 50 0 DDAARO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)nc12 ZINC000069484675 406719764 /nfs/dbraw/zinc/71/97/64/406719764.db2.gz WSPOOWGXJDXYTA-OAHLLOKOSA-N 1 0 324.388 1.259 50 0 DDAARO Cc1cnn(CCC(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)c1 ZINC000069928575 406793547 /nfs/dbraw/zinc/79/35/47/406793547.db2.gz XJBCBBPPNMHNFP-OAHLLOKOSA-N 1 0 322.453 1.133 50 0 DDAARO CC[C@H](C)n1nccc1NC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000070004980 406801677 /nfs/dbraw/zinc/80/16/77/406801677.db2.gz XRMAUVPMEXUMPO-QWHCGFSZSA-N 1 0 304.398 1.667 50 0 DDAARO CCOCC(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000071851686 406852266 /nfs/dbraw/zinc/85/22/66/406852266.db2.gz MZALPNSOYLYRSJ-UHFFFAOYSA-N 1 0 305.422 1.087 50 0 DDAARO C[C@@](O)(C[NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000071859928 406854106 /nfs/dbraw/zinc/85/41/06/406854106.db2.gz SATDXCPSXXKDKA-SJLPKXTDSA-N 1 0 312.417 1.943 50 0 DDAARO CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)C1 ZINC000071870373 406856335 /nfs/dbraw/zinc/85/63/35/406856335.db2.gz GZYDXMHOJNILHX-JYJNAYRXSA-N 1 0 307.438 1.330 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnc(-c2ccccc2)o1 ZINC000013364068 406860612 /nfs/dbraw/zinc/86/06/12/406860612.db2.gz PQHAEUZOLQZKMG-ZDUSSCGKSA-N 1 0 300.362 1.951 50 0 DDAARO C[N@@H+]1CC[C@H](CNC(=O)CSCc2nc3ccccc3[nH]2)C1 ZINC000071896064 406863921 /nfs/dbraw/zinc/86/39/21/406863921.db2.gz PSBYDEHMTMIFSK-GFCCVEGCSA-N 1 0 318.446 1.864 50 0 DDAARO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000071910675 406866837 /nfs/dbraw/zinc/86/68/37/406866837.db2.gz RLNDIPRUTUWRLG-CYBMUJFWSA-N 1 0 314.476 1.779 50 0 DDAARO c1ccc([C@H](CNc2ccc3nnnn3n2)[NH+]2CCCC2)cc1 ZINC000014068241 406870417 /nfs/dbraw/zinc/87/04/17/406870417.db2.gz ULINOSVPAUMLJQ-AWEZNQCLSA-N 1 0 309.377 1.768 50 0 DDAARO O=C(CCOc1ccccc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269032 406875630 /nfs/dbraw/zinc/87/56/30/406875630.db2.gz MERQITYOLBEDKD-SJORKVTESA-N 1 0 318.417 1.513 50 0 DDAARO COC(=O)[C@@H]1C[C@@]2(c3cc(N)ccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000014944586 406877065 /nfs/dbraw/zinc/87/70/65/406877065.db2.gz UTIANWNXFPNUBS-HICWGWBUSA-N 1 0 301.346 1.074 50 0 DDAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CC(F)(F)F)C2)CC1 ZINC000015076427 406878408 /nfs/dbraw/zinc/87/84/08/406878408.db2.gz DOPALCJDWMRTPR-LLVKDONJSA-N 1 0 307.360 1.614 50 0 DDAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000072299769 406879103 /nfs/dbraw/zinc/87/91/03/406879103.db2.gz IVEJRBONDNVZLL-GXTWGEPZSA-N 1 0 306.410 1.117 50 0 DDAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1OC ZINC000012383593 406844143 /nfs/dbraw/zinc/84/41/43/406844143.db2.gz XKHRVMPOWQWFPM-GXTWGEPZSA-N 1 0 306.406 1.893 50 0 DDAARO CNC(=O)NC(=O)CCN1CCC[N@H+](Cc2cccs2)CC1 ZINC000030212979 406930730 /nfs/dbraw/zinc/93/07/30/406930730.db2.gz QBNXFBNQGFDSKZ-UHFFFAOYSA-N 1 0 324.450 1.102 50 0 DDAARO Cc1cc(C(F)(F)F)cc(N2CC[NH+](CCC(N)=O)CC2)n1 ZINC000032511631 406949330 /nfs/dbraw/zinc/94/93/30/406949330.db2.gz FCWGNPJFVRCWKU-UHFFFAOYSA-N 1 0 316.327 1.406 50 0 DDAARO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)NC(N)=O ZINC000032857854 406954463 /nfs/dbraw/zinc/95/44/63/406954463.db2.gz TZFSQGOVACKURY-SECBINFHSA-N 1 0 306.391 1.874 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1N1CCOCC1 ZINC000041975056 407010501 /nfs/dbraw/zinc/01/05/01/407010501.db2.gz MQXPFUYHSYPDCJ-CQSZACIVSA-N 1 0 318.421 1.132 50 0 DDAARO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000044265347 407021664 /nfs/dbraw/zinc/02/16/64/407021664.db2.gz REXLJKIQBJMFEF-HOTGVXAUSA-N 1 0 315.417 1.246 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000044502511 407025204 /nfs/dbraw/zinc/02/52/04/407025204.db2.gz KUBPSSVMKCOYAX-VIFPVBQESA-N 1 0 306.790 1.757 50 0 DDAARO CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000044891277 407032078 /nfs/dbraw/zinc/03/20/78/407032078.db2.gz ZBPCMTHBTFTSHM-CYBMUJFWSA-N 1 0 321.450 1.926 50 0 DDAARO CC[C@@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000078766594 407044553 /nfs/dbraw/zinc/04/45/53/407044553.db2.gz GBFCJQYMCAKNTJ-GDBMZVCRSA-N 1 0 311.470 1.212 50 0 DDAARO COc1cc(C[NH2+][C@H]2CCCCNC2=O)cc2c1OCCO2 ZINC000045613392 407046655 /nfs/dbraw/zinc/04/66/55/407046655.db2.gz BHIBYRGUKOQMJA-LBPRGKRZSA-N 1 0 306.362 1.225 50 0 DDAARO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCN1CCOCC1 ZINC000077312381 406984798 /nfs/dbraw/zinc/98/47/98/406984798.db2.gz KXKQZKWGIYKMNJ-UHFFFAOYSA-N 1 0 316.405 1.543 50 0 DDAARO O=C(CCc1ccncc1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077459278 406992369 /nfs/dbraw/zinc/99/23/69/406992369.db2.gz IULRXBYVXBHTRA-GOSISDBHSA-N 1 0 317.433 1.464 50 0 DDAARO CCOc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1CO ZINC000077490070 406993644 /nfs/dbraw/zinc/99/36/44/406993644.db2.gz YKCVDOHJPIYGRW-UHFFFAOYSA-N 1 0 320.433 1.926 50 0 DDAARO O[C@]1(CN2CCN(c3nsc4ccccc43)CC2)CC[NH2+]C1 ZINC000077516293 406994589 /nfs/dbraw/zinc/99/45/89/406994589.db2.gz MIWZKJLWPFJZBZ-MRXNPFEDSA-N 1 0 318.446 1.143 50 0 DDAARO O=C(NCCc1ccccc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085466770 407102605 /nfs/dbraw/zinc/10/26/05/407102605.db2.gz QLLRPUWXFBFQDC-KRWDZBQOSA-N 1 0 317.433 1.327 50 0 DDAARO Cc1cc(C)nc(SCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000047264358 407072084 /nfs/dbraw/zinc/07/20/84/407072084.db2.gz MZBUCAUZQRJDOM-UONOGXRCSA-N 1 0 320.462 1.929 50 0 DDAARO CNC(=O)Cn1ccc2ccc(NC(=O)CC[NH+](C)C)cc21 ZINC000089386292 407132656 /nfs/dbraw/zinc/13/26/56/407132656.db2.gz VUKZBGJRWQMGBE-UHFFFAOYSA-N 1 0 302.378 1.278 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccco2)CC1 ZINC000089414215 407133478 /nfs/dbraw/zinc/13/34/78/407133478.db2.gz BQDYLPLEHRVFPH-CABCVRRESA-N 1 0 306.406 1.858 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000089414211 407133706 /nfs/dbraw/zinc/13/37/06/407133706.db2.gz BQDYLPLEHRVFPH-HUUCEWRRSA-N 1 0 306.406 1.858 50 0 DDAARO O=C(NC1CC1)C1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000089819093 407152156 /nfs/dbraw/zinc/15/21/56/407152156.db2.gz JFMPKGOZTMIALN-AWEZNQCLSA-N 1 0 319.449 1.380 50 0 DDAARO CCn1cc(Br)cc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000054370788 407183452 /nfs/dbraw/zinc/18/34/52/407183452.db2.gz ALUHOFAHROKXHK-VIFPVBQESA-N 1 0 300.200 1.704 50 0 DDAARO C/C=C(\C)C[N@@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C(C)C)C1 ZINC000091754852 407183626 /nfs/dbraw/zinc/18/36/26/407183626.db2.gz XSBGSFLJLJALKZ-NMEJBFKPSA-N 1 0 303.472 1.305 50 0 DDAARO NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000054394256 407183939 /nfs/dbraw/zinc/18/39/39/407183939.db2.gz VWFHZFOVXIIRIL-UHFFFAOYSA-N 1 0 313.195 1.530 50 0 DDAARO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)C[NH+]1CCCC1 ZINC000055265524 407199445 /nfs/dbraw/zinc/19/94/45/407199445.db2.gz ZCXKEXFFTKZJCS-ZDUSSCGKSA-N 1 0 324.446 1.632 50 0 DDAARO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)N(C)C)C[C@H](C)O1 ZINC000055869850 407208017 /nfs/dbraw/zinc/20/80/17/407208017.db2.gz XWLACMVNTDLLAQ-OKILXGFUSA-N 1 0 305.422 1.796 50 0 DDAARO CC[NH+]1CCC(CC(=O)NCc2ccc(C(=O)NC)o2)CC1 ZINC000095359726 407208848 /nfs/dbraw/zinc/20/88/48/407208848.db2.gz YKXMOSYGPJLJDB-UHFFFAOYSA-N 1 0 307.394 1.377 50 0 DDAARO Cn1nnc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000056927504 407211893 /nfs/dbraw/zinc/21/18/93/407211893.db2.gz DEEJSZLSEABJGO-UHFFFAOYSA-N 1 0 309.377 1.081 50 0 DDAARO CCC[C@H]([NH3+])CNS(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000095972671 407219274 /nfs/dbraw/zinc/21/92/74/407219274.db2.gz LNEVVGFTTCODSK-NSHDSACASA-N 1 0 318.826 1.948 50 0 DDAARO CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(F)c1 ZINC000058315926 407220290 /nfs/dbraw/zinc/22/02/90/407220290.db2.gz MHRMWCUGWIIDQJ-CJNGLKHVSA-N 1 0 317.412 1.956 50 0 DDAARO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O ZINC000095985347 407220770 /nfs/dbraw/zinc/22/07/70/407220770.db2.gz AEEMHPMZOPPQAZ-LDYMZIIASA-N 1 0 302.371 1.144 50 0 DDAARO Cc1ccn2cc(CNC(=O)CC3CC[NH+](C)CC3)nc2c1 ZINC000096013686 407224561 /nfs/dbraw/zinc/22/45/61/407224561.db2.gz 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/nfs/dbraw/zinc/24/40/93/407244093.db2.gz DSVFYBBPQMMKNQ-UHFFFAOYSA-N 1 0 304.442 1.904 50 0 DDAARO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000096440527 407266998 /nfs/dbraw/zinc/26/69/98/407266998.db2.gz QKGUXVXPGSSJEK-ZDUSSCGKSA-N 1 0 323.441 1.281 50 0 DDAARO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000096477053 407270762 /nfs/dbraw/zinc/27/07/62/407270762.db2.gz AJQOSSOMISBJJF-NSHDSACASA-N 1 0 302.415 1.977 50 0 DDAARO O=c1c2c3c(sc2ncn1CCc1c[nH]cn1)C[NH2+]CC3 ZINC000067540709 407275485 /nfs/dbraw/zinc/27/54/85/407275485.db2.gz YYZNEMALAMDCBJ-UHFFFAOYSA-N 1 0 301.375 1.070 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2n1 ZINC000067690386 407280717 /nfs/dbraw/zinc/28/07/17/407280717.db2.gz IWTDSEBJEGVOKV-CQSZACIVSA-N 1 0 315.421 1.806 50 0 DDAARO COC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 ZINC000097110600 407281545 /nfs/dbraw/zinc/28/15/45/407281545.db2.gz GLVTVAACGBMRGY-CHWSQXEVSA-N 1 0 316.423 1.228 50 0 DDAARO 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C[C@H]1C(=O)N(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(=O)[C@H]1C ZINC000107359873 418498063 /nfs/dbraw/zinc/49/80/63/418498063.db2.gz ZQHQIPQMWWWELZ-GUTXKFCHSA-N 1 0 304.390 1.120 50 0 DDAARO O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000108144937 418499594 /nfs/dbraw/zinc/49/95/94/418499594.db2.gz GJKMBAKKZPYBFM-GOEBONIOSA-N 1 0 314.389 1.317 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@H+](Cc2ccco2)C2CC2)C1=O ZINC000048374898 418470372 /nfs/dbraw/zinc/47/03/72/418470372.db2.gz HSXAPFHIVKMSDR-UHFFFAOYSA-N 1 0 305.378 1.965 50 0 DDAARO CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC000257365822 418567898 /nfs/dbraw/zinc/56/78/98/418567898.db2.gz QIEZLYAPBCOTCJ-RRFJBIMHSA-N 1 0 324.469 1.689 50 0 DDAARO C[C@@H](C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)n1cccn1 ZINC000239539267 222210513 /nfs/dbraw/zinc/21/05/13/222210513.db2.gz AVZWLKGEOMMECD-LSDHHAIUSA-N 1 0 306.410 1.157 50 0 DDAARO CCc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000426477684 419480796 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[NH3+][C@@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C1CCC1 ZINC000643476906 423171163 /nfs/dbraw/zinc/17/11/63/423171163.db2.gz CECPWLTVPYXKJT-OAHLLOKOSA-N 1 0 322.453 1.300 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(c2cnc3ccccc3n2)CC1 ZINC000072165761 273799786 /nfs/dbraw/zinc/79/97/86/273799786.db2.gz HEIMSGVMBLDQJZ-QGZVFWFLSA-N 1 0 300.406 1.913 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000069415202 276760759 /nfs/dbraw/zinc/76/07/59/276760759.db2.gz YHTYPMQKANSOCX-WBVHZDCISA-N 1 0 318.417 1.559 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000178964316 277028947 /nfs/dbraw/zinc/02/89/47/277028947.db2.gz JKYWESTZESRRPO-WCQYABFASA-N 1 0 308.809 1.959 50 0 DDAARO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964100 278112894 /nfs/dbraw/zinc/11/28/94/278112894.db2.gz NPFKCQMBAKABLB-CYBMUJFWSA-N 1 0 314.476 1.650 50 0 DDAARO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000241897338 278142447 /nfs/dbraw/zinc/14/24/47/278142447.db2.gz TXUISLHKMVLZTK-BRWVUGGUSA-N 1 0 321.465 1.768 50 0 DDAARO Cc1cccc(=O)n1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072137176 278909771 /nfs/dbraw/zinc/90/97/71/278909771.db2.gz BHHVIEGDTNWHFG-OAHLLOKOSA-N 1 0 305.422 1.490 50 0 DDAARO Cc1c(-c2ccc([C@H](C)[NH+](C)C)cc2)c(=O)n(C)c(=O)n1C ZINC000426700065 280195477 /nfs/dbraw/zinc/19/54/77/280195477.db2.gz PGEBDAOYNAMIOA-NSHDSACASA-N 1 0 301.390 1.682 50 0 DDAARO CC[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000262714421 280391084 /nfs/dbraw/zinc/39/10/84/280391084.db2.gz GIGGTVUAKJWUPP-HZSPNIEDSA-N 1 0 306.410 1.447 50 0 DDAARO C[NH+](C)C1(CNC(=O)CN2CCCCCC2=O)CCCCC1 ZINC000072273121 289044723 /nfs/dbraw/zinc/04/47/23/289044723.db2.gz DQEQZPVAMBEXTM-UHFFFAOYSA-N 1 0 309.454 1.770 50 0 DDAARO Cn1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1=O ZINC000528640372 303052274 /nfs/dbraw/zinc/05/22/74/303052274.db2.gz ORIBNFNLBREPCF-HNNXBMFYSA-N 1 0 306.406 1.139 50 0 DDAARO C[C@@H](c1cccnc1)N(C)C(=O)NCC[NH+]1CCC(CO)CC1 ZINC000534577671 334288485 /nfs/dbraw/zinc/28/84/85/334288485.db2.gz RGLXJONXXNPNDR-AWEZNQCLSA-N 1 0 320.437 1.488 50 0 DDAARO C[C@@H](CCNC(=O)N1CC(Oc2ccc(F)cc2)C1)[NH+](C)C ZINC000534578704 334288679 /nfs/dbraw/zinc/28/86/79/334288679.db2.gz SMPKTDBVJIDCQE-LBPRGKRZSA-N 1 0 309.385 1.939 50 0 DDAARO O=C([C@@H]1NCCc2nc[nH]c21)N(Cc1ccsc1)C1CC1 ZINC000534637679 334310015 /nfs/dbraw/zinc/31/00/15/334310015.db2.gz FPVYBBILWUYROJ-CQSZACIVSA-N 1 0 302.403 1.849 50 0 DDAARO O=S(=O)(CCOc1ccccc1)NCC[C@H]1CCCC[NH2+]1 ZINC000534650031 334311589 /nfs/dbraw/zinc/31/15/89/334311589.db2.gz SALDNRPJZRIFTE-CQSZACIVSA-N 1 0 312.435 1.517 50 0 DDAARO CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000097228979 337382305 /nfs/dbraw/zinc/38/23/05/337382305.db2.gz DYUHCBCCPCDLSB-LBPRGKRZSA-N 1 0 315.339 1.349 50 0 DDAARO CCN1CCC(CNC(=O)c2ccc(O)cc2C)([NH+](C)C)CC1 ZINC000223515868 484153868 /nfs/dbraw/zinc/15/38/68/484153868.db2.gz GSVVQVWSYAGTGD-UHFFFAOYSA-N 1 0 319.449 1.847 50 0 DDAARO C[C@@H](CC(F)(F)F)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1 ZINC000670457665 484842415 /nfs/dbraw/zinc/84/24/15/484842415.db2.gz ZNUDLYAJJYQPKM-NSHDSACASA-N 1 0 323.359 1.834 50 0 DDAARO CC(C)(C)CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1=O ZINC000682538937 485662986 /nfs/dbraw/zinc/66/29/86/485662986.db2.gz BMMBJWCFKDVXBS-ZQDZILKHSA-N 1 0 321.465 1.609 50 0 DDAARO Nc1nc(N[C@H](CO)Cc2ccccc2)cc(C2CC([NH3+])C2)n1 ZINC000220750027 490698429 /nfs/dbraw/zinc/69/84/29/490698429.db2.gz LLEMIFFNPWKCRS-RUXDESIVSA-N 1 0 313.405 1.279 50 0 DDAARO COc1cc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)cc2c1OCCO2 ZINC000158415274 521926636 /nfs/dbraw/zinc/92/66/36/521926636.db2.gz HFZMJOZDTNATFX-IHVVCDCBSA-N 1 0 318.373 1.429 50 0 DDAARO COc1cccc(C[C@H]2CN(c3cc(C)[nH+]c(N)n3)CCO2)c1 ZINC000011878807 696048083 /nfs/dbraw/zinc/04/80/83/696048083.db2.gz CJWXIFNAZOZICF-HNNXBMFYSA-N 1 0 314.389 1.824 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000067909436 696365308 /nfs/dbraw/zinc/36/53/08/696365308.db2.gz SXJXLCKEHBHATF-ZDUSSCGKSA-N 1 0 303.410 1.760 50 0 DDAARO C[NH+](C)C[C@]1(O)CCN(Cc2cncn2C2CCCCC2)C1 ZINC000072131846 696393287 /nfs/dbraw/zinc/39/32/87/696393287.db2.gz SWXARVHGBGSBFM-QGZVFWFLSA-N 1 0 306.454 1.887 50 0 DDAARO Cc1ccc(C(=O)N2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)cc1C ZINC000169788960 697346017 /nfs/dbraw/zinc/34/60/17/697346017.db2.gz YKKGOOWGABJFMP-ROUUACIJSA-N 1 0 316.445 1.984 50 0 DDAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CCCc2cccnc2)C1 ZINC000244796144 697821358 /nfs/dbraw/zinc/82/13/58/697821358.db2.gz RTYAPROOHQGBTG-HNNXBMFYSA-N 1 0 315.421 1.515 50 0 DDAARO C[C@@H](NCCN1CCc2ccccc2C1)c1cc(CO)on1 ZINC000863984518 706049942 /nfs/dbraw/zinc/04/99/42/706049942.db2.gz VZTXVKMLFPAWRF-CYBMUJFWSA-N 1 0 301.390 1.876 50 0 DDAARO Cn1cncc1[C@H]([NH3+])[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000958528450 716612834 /nfs/dbraw/zinc/61/28/34/716612834.db2.gz SNDQJBANRIEAFT-SWLSCSKDSA-N 1 0 310.398 1.182 50 0 DDAARO COc1cc2c(cc1C[NH2+]CCN1CCCC[C@@H]1CO)OCO2 ZINC000952974202 721530041 /nfs/dbraw/zinc/53/00/41/721530041.db2.gz SYRXYUPIFOIGSH-CQSZACIVSA-N 1 0 322.405 1.360 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000952984152 721532217 /nfs/dbraw/zinc/53/22/17/721532217.db2.gz IKSQGDOYMOPNDF-JKSUJKDBSA-N 1 0 315.417 1.547 50 0 DDAARO Cc1ncn(CCNS(=O)(=O)c2ccc3[nH]cnc3c2)c1C ZINC000825284829 759236365 /nfs/dbraw/zinc/23/63/65/759236365.db2.gz VFEXXSXVKZLIPO-UHFFFAOYSA-N 1 0 319.390 1.355 50 0 DDAARO O=C(NCCCN1CCCC1=O)C1([NH+]2CCCC2)CCCCC1 ZINC000828264899 759581467 /nfs/dbraw/zinc/58/14/67/759581467.db2.gz MDVYTMPFIOYDTC-UHFFFAOYSA-N 1 0 321.465 1.914 50 0 DDAARO O=C(c1ccco1)N1CC([N@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794831 761712953 /nfs/dbraw/zinc/71/29/53/761712953.db2.gz VCEYPBZBNYYKIL-UHFFFAOYSA-N 1 0 304.390 1.995 50 0 DDAARO Cn1c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cnc1Cl ZINC000585091238 771942583 /nfs/dbraw/zinc/94/25/83/771942583.db2.gz UFMDFEMHQQIXCK-GXSJLCMTSA-N 1 0 305.831 1.519 50 0 DDAARO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000585122278 771953020 /nfs/dbraw/zinc/95/30/20/771953020.db2.gz VHGUUOZMIYQDAT-JKSUJKDBSA-N 1 0 321.465 1.626 50 0 DDAARO CCS[C@@H]1CCCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000585131928 771964214 /nfs/dbraw/zinc/96/42/14/771964214.db2.gz KCICWGFMVBRGIT-LSDHHAIUSA-N 1 0 312.479 1.841 50 0 DDAARO O=c1cc2c(nn1CC1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000585502903 773688216 /nfs/dbraw/zinc/68/82/16/773688216.db2.gz YHZOWGRLIHCMMY-OAHLLOKOSA-N 1 0 317.433 1.481 50 0 DDAARO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC000952880883 775633360 /nfs/dbraw/zinc/63/33/60/775633360.db2.gz DQYHSAKXRRDMQW-INMHGKMJSA-N 1 0 323.481 1.619 50 0 DDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCSCC2)CC1 ZINC000074657609 185006020 /nfs/dbraw/zinc/00/60/20/185006020.db2.gz DAVUSICCSFMSCW-AWEZNQCLSA-N 1 0 314.499 1.018 50 0 DDAARO COCCn1cc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000079096531 185158024 /nfs/dbraw/zinc/15/80/24/185158024.db2.gz YSJHDJOMSBFLTH-FZMZJTMJSA-N 1 0 307.398 1.134 50 0 DDAARO COc1ccccc1-c1ncc(CN2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082162110 185174362 /nfs/dbraw/zinc/17/43/62/185174362.db2.gz YUSQDGZLTBDEEU-ZIAGYGMSSA-N 1 0 319.430 1.713 50 0 DDAARO O=C(NCCCN1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000088538314 185255372 /nfs/dbraw/zinc/25/53/72/185255372.db2.gz VYRDJFQEAQACRI-INIZCTEOSA-N 1 0 323.481 1.337 50 0 DDAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)SC)cc1 ZINC000090725728 185311394 /nfs/dbraw/zinc/31/13/94/185311394.db2.gz RLVCWTJPDATTSP-QWRGUYRKSA-N 1 0 302.465 1.997 50 0 DDAARO CC(C)C[C@H](CNC(=O)CC(=O)Nc1nccs1)[NH+](C)C ZINC000095397199 185353356 /nfs/dbraw/zinc/35/33/56/185353356.db2.gz LAGZEOBFJWHYEZ-LLVKDONJSA-N 1 0 312.439 1.564 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)no1 ZINC000095428227 185362388 /nfs/dbraw/zinc/36/23/88/185362388.db2.gz CVABAOLUEQVDCC-AWEZNQCLSA-N 1 0 316.361 1.860 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000095432088 185363438 /nfs/dbraw/zinc/36/34/38/185363438.db2.gz OFYTTWFQDLFNBX-GFCCVEGCSA-N 1 0 300.424 1.655 50 0 DDAARO Cc1ccc(F)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1 ZINC000106918523 185463381 /nfs/dbraw/zinc/46/33/81/185463381.db2.gz YZJXJVDFJMVJAS-DOMZBBRYSA-N 1 0 314.426 1.894 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000111713155 185628952 /nfs/dbraw/zinc/62/89/52/185628952.db2.gz AVWFDFNTHGBGNB-UWVGGRQHSA-N 1 0 304.362 1.713 50 0 DDAARO COc1cccc(CCCn2cc(O[C@@H]3COC[C@@H]3[NH3+])cn2)c1 ZINC000685943184 539567612 /nfs/dbraw/zinc/56/76/12/539567612.db2.gz SVKJCKZIAMMFKF-DLBZAZTESA-N 1 0 317.389 1.629 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000071144456 190936557 /nfs/dbraw/zinc/93/65/57/190936557.db2.gz DWEOBYWJRIOGGR-LBPRGKRZSA-N 1 0 305.403 1.465 50 0 DDAARO COc1cccc(CN(C(=O)C[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000071753625 191023372 /nfs/dbraw/zinc/02/33/72/191023372.db2.gz OGWIXVLYJNJHDQ-MRXNPFEDSA-N 1 0 304.390 1.565 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000071767635 191029102 /nfs/dbraw/zinc/02/91/02/191029102.db2.gz KFTXHPNPTYORCF-RKDXNWHRSA-N 1 0 324.324 1.743 50 0 DDAARO COc1cc(Cl)cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072130594 191044339 /nfs/dbraw/zinc/04/43/39/191044339.db2.gz XBVLZPGMFWHKSJ-HNNXBMFYSA-N 1 0 312.797 1.487 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000072148794 191054163 /nfs/dbraw/zinc/05/41/63/191054163.db2.gz NAASRAJAOQRTRO-GOSISDBHSA-N 1 0 318.417 1.540 50 0 DDAARO CS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000072156331 191059760 /nfs/dbraw/zinc/05/97/60/191059760.db2.gz WGPGOUZOTHFHAZ-KRWDZBQOSA-N 1 0 322.474 1.977 50 0 DDAARO Cc1nc(Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)n[nH]1 ZINC000072167226 191066205 /nfs/dbraw/zinc/06/62/05/191066205.db2.gz YOQOAWLWQQUSSU-CQSZACIVSA-N 1 0 315.377 1.021 50 0 DDAARO CN(CC[NH+](C)C)C(=O)c1cn(CCCc2ccccc2)nn1 ZINC000072167215 191066812 /nfs/dbraw/zinc/06/68/12/191066812.db2.gz CHDFFAAACXCQFV-UHFFFAOYSA-N 1 0 315.421 1.545 50 0 DDAARO C[C@H](CNC(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000072277995 191099980 /nfs/dbraw/zinc/09/99/80/191099980.db2.gz LLRVJVNCTDDERH-ZBFHGGJFSA-N 1 0 305.422 1.985 50 0 DDAARO CC[C@H]1CN(Cc2cn3ccsc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000072279803 191101349 /nfs/dbraw/zinc/10/13/49/191101349.db2.gz ZBDYIULWQKUVQL-OCCSQVGLSA-N 1 0 308.451 1.673 50 0 DDAARO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000253369846 186300600 /nfs/dbraw/zinc/30/06/00/186300600.db2.gz IUJPFQJGWKUVJG-HRCADAONSA-N 1 0 311.470 1.909 50 0 DDAARO COCC[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000072423281 191158116 /nfs/dbraw/zinc/15/81/16/191158116.db2.gz AMIFCOUYOAHDOQ-UHFFFAOYSA-N 1 0 317.389 1.937 50 0 DDAARO Nc1nc2c(c(NCCCCc3ccccn3)n1)CC[NH2+]CC2 ZINC000072463194 191173761 /nfs/dbraw/zinc/17/37/61/191173761.db2.gz CPHSQRADUROXDF-UHFFFAOYSA-N 1 0 312.421 1.577 50 0 DDAARO COCC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2c(C)noc2C)C1 ZINC000075611855 353372102 /nfs/dbraw/zinc/37/21/02/353372102.db2.gz YGIDRXAKFBBQRT-BXUZGUMPSA-N 1 0 324.425 1.762 50 0 DDAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)o1 ZINC000078891994 353537720 /nfs/dbraw/zinc/53/77/20/353537720.db2.gz PYYDWISNUALIRT-OAHLLOKOSA-N 1 0 317.437 1.719 50 0 DDAARO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)cc2c1OCO2 ZINC000084714777 353726572 /nfs/dbraw/zinc/72/65/72/353726572.db2.gz DSIWGLHMMJVPSD-SMDDNHRTSA-N 1 0 320.389 1.770 50 0 DDAARO CC1(C)[C@H](NC(=O)NCC[N@H+](CC2CC2)C2CC2)[C@H]2CCO[C@@H]21 ZINC000095400957 353913045 /nfs/dbraw/zinc/91/30/45/353913045.db2.gz HAWKUIGVCIJIHB-OAGGEKHMSA-N 1 0 321.465 1.974 50 0 DDAARO CCc1noc(C2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000097234085 353918914 /nfs/dbraw/zinc/91/89/14/353918914.db2.gz AUZZJGBDBDRQHO-MCIGGMRASA-N 1 0 313.423 1.435 50 0 DDAARO [NH3+][C@@H](CC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000119111970 354002136 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Cc1nc(CC(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cs1 ZINC000077385770 191705408 /nfs/dbraw/zinc/70/54/08/191705408.db2.gz FBBMGDWVQXAYDL-INIZCTEOSA-N 1 0 323.462 1.443 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000237173221 202174491 /nfs/dbraw/zinc/17/44/91/202174491.db2.gz USONCJUUPWNPBW-KFUCAUQGSA-N 1 0 315.417 1.788 50 0 DDAARO COc1ccc(CCC(=O)N(C)[C@H](C)C[NH3+])c(OC)c1OC ZINC000237219099 202194530 /nfs/dbraw/zinc/19/45/30/202194530.db2.gz PIDHAZIZEVHMKE-LLVKDONJSA-N 1 0 310.394 1.451 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000178490702 198876274 /nfs/dbraw/zinc/87/62/74/198876274.db2.gz SWGHFRHSOLIAMW-GFCCVEGCSA-N 1 0 303.366 1.337 50 0 DDAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276627485 213009342 /nfs/dbraw/zinc/00/93/42/213009342.db2.gz KAFMERABXCMDQP-ZYHUDNBSSA-N 1 0 302.296 1.387 50 0 DDAARO Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH2+][C@H](C)C3)C2=O)cc1 ZINC000237614550 202305860 /nfs/dbraw/zinc/30/58/60/202305860.db2.gz 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CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000065502903 184356366 /nfs/dbraw/zinc/35/63/66/184356366.db2.gz UHSATIIEQHFZGL-JTQLQIEISA-N 1 0 318.343 1.899 50 0 DDAARO O=C(CC[NH2+]C[C@@H]1COc2ccccc2O1)NCc1ccco1 ZINC000065509395 184357618 /nfs/dbraw/zinc/35/76/18/184357618.db2.gz UKWDSWCPSKGDHK-CQSZACIVSA-N 1 0 316.357 1.716 50 0 DDAARO CC[C@H](C)C(=O)NCC(=O)N(C1CC1)C1CC[NH+](CC)CC1 ZINC000065613168 184373802 /nfs/dbraw/zinc/37/38/02/184373802.db2.gz AIZQZXZXCQHSHB-ZDUSSCGKSA-N 1 0 309.454 1.624 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)[C@@H]1C[NH3+] ZINC000237481456 296399135 /nfs/dbraw/zinc/39/91/35/296399135.db2.gz DFHCEVFCXZNBGN-IUODEOHRSA-N 1 0 319.430 1.983 50 0 DDAARO COC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000240786118 257238157 /nfs/dbraw/zinc/23/81/57/257238157.db2.gz IANOLQYGNMXRBT-MELADBBJSA-N 1 0 316.442 1.761 50 0 DDAARO CC(C)C(=O)Nc1ccc(N2CC[NH+](C[C@H](C)O)CC2)nc1 ZINC000034667938 134689830 /nfs/dbraw/zinc/68/98/30/134689830.db2.gz 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CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CC[NH2+]C1 ZINC000179048549 407705760 /nfs/dbraw/zinc/70/57/60/407705760.db2.gz SJCQDCGOKGZNSK-RYUDHWBXSA-N 1 0 321.808 1.513 50 0 DDAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000171601322 407717381 /nfs/dbraw/zinc/71/73/81/407717381.db2.gz RCANXPQPLKWNNM-GFCCVEGCSA-N 1 0 304.350 1.570 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000237986068 407864221 /nfs/dbraw/zinc/86/42/21/407864221.db2.gz UIZHVWRLJRQPTB-MRVPVSSYSA-N 1 0 309.218 1.856 50 0 DDAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CC(=O)N2CCN(C)CC2)c1 ZINC000244633488 407926418 /nfs/dbraw/zinc/92/64/18/407926418.db2.gz GDWGBZXERIZAHP-OAHLLOKOSA-N 1 0 304.438 1.027 50 0 DDAARO CN1C[C@@]2(CCC[N@H+](CCC(=O)Nc3nccs3)C2)OC1=O ZINC000244626836 407927327 /nfs/dbraw/zinc/92/73/27/407927327.db2.gz FTOGRYVFYCOWRU-CQSZACIVSA-N 1 0 324.406 1.388 50 0 DDAARO COc1ccc(C(=O)NCC2([NH+](C)C)CCN(C)CC2)c(F)c1 ZINC000244795889 407939270 /nfs/dbraw/zinc/93/92/70/407939270.db2.gz RPGQTMWHJQUMCT-UHFFFAOYSA-N 1 0 323.412 1.590 50 0 DDAARO C[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)[NH2+]1 ZINC000153961332 407942315 /nfs/dbraw/zinc/94/23/15/407942315.db2.gz ZASVCPXFEOTXQT-TXEJJXNPSA-N 1 0 316.405 1.388 50 0 DDAARO O=C(Nc1cnn(CC(F)F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174847764 407994186 /nfs/dbraw/zinc/99/41/86/407994186.db2.gz LEOFKHOTZLNHMC-GFCCVEGCSA-N 1 0 313.352 1.850 50 0 DDAARO Cc1cc2cccnc2c(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000154812788 408088216 /nfs/dbraw/zinc/08/82/16/408088216.db2.gz GVPFAKIADARARD-UHFFFAOYSA-N 1 0 314.389 1.502 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000157906599 408322546 /nfs/dbraw/zinc/32/25/46/408322546.db2.gz FFGKWUIFNXIIGP-BBRMVZONSA-N 1 0 321.396 1.149 50 0 DDAARO CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@H]([NH3+])C3)ccc21 ZINC000158366081 408337230 /nfs/dbraw/zinc/33/72/30/408337230.db2.gz GFBYMCKOBCQYFW-GFCCVEGCSA-N 1 0 302.378 1.028 50 0 DDAARO COc1cccc2c1CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)C2 ZINC000192447584 408589359 /nfs/dbraw/zinc/58/93/59/408589359.db2.gz OTTWJNCALLNBNM-ZDUSSCGKSA-N 1 0 314.389 1.295 50 0 DDAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000248105871 408534852 /nfs/dbraw/zinc/53/48/52/408534852.db2.gz FUUKTQMZVRWHLJ-JONQDZQNSA-N 1 0 310.438 1.656 50 0 DDAARO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1F ZINC000249457419 408729229 /nfs/dbraw/zinc/72/92/29/408729229.db2.gz YHGPKWMNAJCUHY-UKRRQHHQSA-N 1 0 308.397 1.987 50 0 DDAARO Cc1cc(N2CCC(CNC(=O)N3CCNC3=O)CC2)cc[nH+]1 ZINC000253402140 408814698 /nfs/dbraw/zinc/81/46/98/408814698.db2.gz NZHMALOAWOUSJF-UHFFFAOYSA-N 1 0 317.393 1.341 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2n2ccnc2)C1 ZINC000252512783 408803751 /nfs/dbraw/zinc/80/37/51/408803751.db2.gz VNTPSWWYDCOCES-JYJNAYRXSA-N 1 0 319.453 1.960 50 0 DDAARO CCc1csc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)n1 ZINC000252527646 408804190 /nfs/dbraw/zinc/80/41/90/408804190.db2.gz DBTKBKYQVNZYAS-WAAGHKOSSA-N 1 0 305.407 1.928 50 0 DDAARO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccsc1 ZINC000178051195 408767511 /nfs/dbraw/zinc/76/75/11/408767511.db2.gz VZUSJZSNBUZDCO-GFCCVEGCSA-N 1 0 316.492 1.908 50 0 DDAARO C[C@H]([NH3+])CC(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000261888980 163722546 /nfs/dbraw/zinc/72/25/46/163722546.db2.gz VWEMRPFLGFEXMD-ZETCQYMHSA-N 1 0 302.277 1.370 50 0 DDAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000332302926 410055640 /nfs/dbraw/zinc/05/56/40/410055640.db2.gz JDJJQFSMIDINPC-RTXFEEFZSA-N 1 0 309.435 1.257 50 0 DDAARO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1F ZINC000299772516 410617008 /nfs/dbraw/zinc/61/70/08/410617008.db2.gz AKJBGVKFKMGYSL-GFCCVEGCSA-N 1 0 310.369 1.268 50 0 DDAARO Cc1cccc(OCC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000299778066 410620506 /nfs/dbraw/zinc/62/05/06/410620506.db2.gz OBBOEUGNWUNPLI-OAHLLOKOSA-N 1 0 306.406 1.194 50 0 DDAARO Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CC[NH2+]C2 ZINC000299785417 410627211 /nfs/dbraw/zinc/62/72/11/410627211.db2.gz ZQVPKINPJDCXOS-UHFFFAOYSA-N 1 0 301.415 1.956 50 0 DDAARO CN(C[C@@H]1CCOC1)C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299788121 410628376 /nfs/dbraw/zinc/62/83/76/410628376.db2.gz QCXFCFPUPRGRBC-LBPRGKRZSA-N 1 0 310.369 1.662 50 0 DDAARO CC(=O)Nc1cc(C[NH3+])cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000299793384 410635315 /nfs/dbraw/zinc/63/53/15/410635315.db2.gz HDZZATQNVHOTMZ-PHIMTYICSA-N 1 0 305.378 1.353 50 0 DDAARO COc1ccc(OCCC[NH3+])c(C(=O)NC2CCOCC2)c1 ZINC000299797263 410635818 /nfs/dbraw/zinc/63/58/18/410635818.db2.gz QFFRUFIUBJIQIG-UHFFFAOYSA-N 1 0 308.378 1.332 50 0 DDAARO Cc1c(C(=O)N2CCCC[C@H]2C[NH3+])cccc1N1CCNC1=O ZINC000130867426 196117581 /nfs/dbraw/zinc/11/75/81/196117581.db2.gz IKEMHPKAIORLTG-ZDUSSCGKSA-N 1 0 316.405 1.478 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)C2=Cc3ccc(OC)cc3OC2)C1 ZINC000134164124 196367205 /nfs/dbraw/zinc/36/72/05/196367205.db2.gz JDDRMQFLOMKGRD-CQSZACIVSA-N 1 0 302.374 1.681 50 0 DDAARO O=C(NCc1cc(F)ccc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417509808 225348451 /nfs/dbraw/zinc/34/84/51/225348451.db2.gz SIACSBDXXWOFMH-AWEZNQCLSA-N 1 0 324.375 1.154 50 0 DDAARO COc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000048019370 418464319 /nfs/dbraw/zinc/46/43/19/418464319.db2.gz SJDCFVKBCNJDTI-UHFFFAOYSA-N 1 0 321.425 1.238 50 0 DDAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000048520183 418472225 /nfs/dbraw/zinc/47/22/25/418472225.db2.gz VDDDLMSOXGGDQD-JTQLQIEISA-N 1 0 319.858 1.721 50 0 DDAARO C[N@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000048313922 418469199 /nfs/dbraw/zinc/46/91/99/418469199.db2.gz SANIAZWXTGUPKP-GJZGRUSLSA-N 1 0 323.389 1.404 50 0 DDAARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000223416318 418563672 /nfs/dbraw/zinc/56/36/72/418563672.db2.gz CZTSDRDZXOMFOT-HNNXBMFYSA-N 1 0 320.389 1.321 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000241644336 222211313 /nfs/dbraw/zinc/21/13/13/222211313.db2.gz PPZAFMBWHACWKY-CQSZACIVSA-N 1 0 305.422 1.328 50 0 DDAARO Cc1ccc(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)o1 ZINC000244828589 222213502 /nfs/dbraw/zinc/21/35/02/222213502.db2.gz TYYJLWYFSCMIDJ-BETUJISGSA-N 1 0 317.393 1.594 50 0 DDAARO CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408524670 418809186 /nfs/dbraw/zinc/80/91/86/418809186.db2.gz XJBZMMNMFCEQBH-GOEBONIOSA-N 1 0 301.390 1.250 50 0 DDAARO COc1cc(C(=O)NC[C@H]2CCCOC2)ccc1OCC[NH3+] ZINC000426490015 419484531 /nfs/dbraw/zinc/48/45/31/419484531.db2.gz HTNGPKSUNZAPQA-GFCCVEGCSA-N 1 0 308.378 1.189 50 0 DDAARO O=C(Cn1ccnn1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426440258 419472229 /nfs/dbraw/zinc/47/22/29/419472229.db2.gz HZCRCSSSZHIWGY-INIZCTEOSA-N 1 0 313.405 1.622 50 0 DDAARO C[NH2+]Cc1nnc(SCc2noc([C@H]3CCCO3)n2)n1C ZINC000426642861 419523544 /nfs/dbraw/zinc/52/35/44/419523544.db2.gz FVFOTNPNHAHUBJ-MRVPVSSYSA-N 1 0 310.383 1.061 50 0 DDAARO C[C@@H](CO)CSc1nnc(CC[NH3+])n1-c1ccccc1F ZINC000426734255 419537668 /nfs/dbraw/zinc/53/76/68/419537668.db2.gz HUNCCZCWFGULAL-JTQLQIEISA-N 1 0 310.398 1.628 50 0 DDAARO Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000426716211 419540881 /nfs/dbraw/zinc/54/08/81/419540881.db2.gz VWCMFQVLSNGHRY-UHFFFAOYSA-N 1 0 314.389 1.525 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000299738480 229369680 /nfs/dbraw/zinc/36/96/80/229369680.db2.gz BHPZPJHTOABSFZ-GMXVVIOVSA-N 1 0 308.813 1.557 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000492949375 420718826 /nfs/dbraw/zinc/71/88/26/420718826.db2.gz HMTQXWDKOYXOTC-PIZKADEWSA-N 1 0 301.390 1.257 50 0 DDAARO CO[C@@H]1C[NH2+][C@H](C(=O)NCCc2ccc(F)cc2Cl)C1 ZINC000583617724 422201035 /nfs/dbraw/zinc/20/10/35/422201035.db2.gz JKERIWPUNVZMAO-AAEUAGOBSA-N 1 0 300.761 1.515 50 0 DDAARO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)c1=O ZINC000618257418 422522682 /nfs/dbraw/zinc/52/26/82/422522682.db2.gz VUSJPJKWQOXNDY-CYBMUJFWSA-N 1 0 317.414 1.451 50 0 DDAARO O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000038478369 275009967 /nfs/dbraw/zinc/00/99/67/275009967.db2.gz VFGHUGDKTSBANT-STQMWFEESA-N 1 0 309.207 1.984 50 0 DDAARO CCCCc1c(C)[nH+]c(N)nc1N1CCN(C(=O)OC)CC1 ZINC000091476227 276243971 /nfs/dbraw/zinc/24/39/71/276243971.db2.gz NITSMUIWQQZGDG-UHFFFAOYSA-N 1 0 307.398 1.598 50 0 DDAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(CO)CO)CC2 ZINC000095504558 277195421 /nfs/dbraw/zinc/19/54/21/277195421.db2.gz PYLZNLAQEHPLIP-INIZCTEOSA-N 1 0 304.434 1.294 50 0 DDAARO O=C1NC2(CC[NH+](Cc3ccncc3)CC2)N2CCCC[C@@H]12 ZINC000096429889 280283590 /nfs/dbraw/zinc/28/35/90/280283590.db2.gz RKDRJUKRBQRMDV-HNNXBMFYSA-N 1 0 300.406 1.358 50 0 DDAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCCC3)ccc12 ZINC000001522263 301068638 /nfs/dbraw/zinc/06/86/38/301068638.db2.gz PRTVREQEMSZQKI-CYBMUJFWSA-N 1 0 303.358 1.937 50 0 DDAARO NC(=O)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012937991 303269526 /nfs/dbraw/zinc/26/95/26/303269526.db2.gz GEFMJVBVMRYYNY-UHFFFAOYSA-N 1 0 319.361 1.355 50 0 DDAARO Cc1ccccc1[C@@H](CNC(=O)c1cncc(=O)[nH]1)[NH+](C)C ZINC000534659674 334315511 /nfs/dbraw/zinc/31/55/11/334315511.db2.gz FWRNUZHGORRFLI-CQSZACIVSA-N 1 0 300.362 1.111 50 0 DDAARO Cc1cc(=O)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000534648738 334316838 /nfs/dbraw/zinc/31/68/38/334316838.db2.gz WWVAEOOVYUERCA-ZDUSSCGKSA-N 1 0 303.406 1.678 50 0 DDAARO CCC1(C[NH2+][C@@H]2CCC(=O)N(CC(=O)N(C)C)CC2)CCC1 ZINC000534676087 334326983 /nfs/dbraw/zinc/32/69/83/334326983.db2.gz BRVXTFCELYNLGR-CQSZACIVSA-N 1 0 309.454 1.626 50 0 DDAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cnn3ccccc23)cn1 ZINC000084317582 337375880 /nfs/dbraw/zinc/37/58/80/337375880.db2.gz PUYWGYLSRKAHRT-SUMWQHHRSA-N 1 0 311.389 1.935 50 0 DDAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1CCc1ccccc1 ZINC000390835095 337383796 /nfs/dbraw/zinc/38/37/96/337383796.db2.gz CJJMUFLDWZXNPN-IRXDYDNUSA-N 1 0 302.418 1.989 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000084013892 483988236 /nfs/dbraw/zinc/98/82/36/483988236.db2.gz QQDKVWDLOOJTKW-AWEZNQCLSA-N 1 0 303.410 1.356 50 0 DDAARO CSCCC[N@@H+]1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000084281192 483993699 /nfs/dbraw/zinc/99/36/99/483993699.db2.gz KCPDNNXMGAYZRY-ZDUSSCGKSA-N 1 0 312.439 1.554 50 0 DDAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cnn3ccccc23)cn1 ZINC000084317595 483995430 /nfs/dbraw/zinc/99/54/30/483995430.db2.gz PUYWGYLSRKAHRT-CXAGYDPISA-N 1 0 311.389 1.935 50 0 DDAARO CCOCCN1CC[NH+](CCn2c(C)nc3ccccc32)CC1 ZINC000084801344 484001143 /nfs/dbraw/zinc/00/11/43/484001143.db2.gz MOYALYNJOZEVMZ-UHFFFAOYSA-N 1 0 316.449 1.999 50 0 DDAARO CCSC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085824100 484004154 /nfs/dbraw/zinc/00/41/54/484004154.db2.gz UAVHHAHWCZRUSI-OLZOCXBDSA-N 1 0 308.513 1.731 50 0 DDAARO Cc1nnc([C@H](C)NC(=O)C2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000670437233 484828271 /nfs/dbraw/zinc/82/82/71/484828271.db2.gz GYWALEPALDXOOM-NSHDSACASA-N 1 0 321.425 1.181 50 0 DDAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(CO)o1 ZINC000670452228 484838352 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/nfs/dbraw/zinc/12/54/40/193125440.db2.gz MOLJYNXDSZZJTC-ZFWWWQNUSA-N 1 0 308.447 1.970 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@@H]1CO ZINC000091974274 193134705 /nfs/dbraw/zinc/13/47/05/193134705.db2.gz RMULZXIYUICDLN-ZIAGYGMSSA-N 1 0 320.408 1.486 50 0 DDAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)no1)CC2 ZINC000092002122 193139762 /nfs/dbraw/zinc/13/97/62/193139762.db2.gz IPXPSCWLABIOMU-UHFFFAOYSA-N 1 0 321.421 1.834 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1CO ZINC000092098279 193156981 /nfs/dbraw/zinc/15/69/81/193156981.db2.gz WSGNIHGKIHZVBC-IAGOWNOFSA-N 1 0 304.434 1.638 50 0 DDAARO C[NH+](C)CCN(C(=O)[C@@H]1CCn2ccnc2C1)C1CCCC1 ZINC000092125002 193165817 /nfs/dbraw/zinc/16/58/17/193165817.db2.gz ZRPJLRMHBMQVDZ-CQSZACIVSA-N 1 0 304.438 1.778 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000261915800 203150161 /nfs/dbraw/zinc/15/01/61/203150161.db2.gz GWRZCUSREHADAR-JSGCOSHPSA-N 1 0 319.430 1.983 50 0 DDAARO 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/nfs/dbraw/zinc/76/10/55/406761055.db2.gz WYYNOSOVEWODHM-UHFFFAOYSA-N 1 0 313.242 1.351 50 0 DDAARO O[C@H](C[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000069738960 406763693 /nfs/dbraw/zinc/76/36/93/406763693.db2.gz VXLSESCQYCGMEF-CYBMUJFWSA-N 1 0 300.196 1.939 50 0 DDAARO C[C@H](Cn1cccn1)C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069771565 406769062 /nfs/dbraw/zinc/76/90/62/406769062.db2.gz QKYCLBRWVHOZOT-HUUCEWRRSA-N 1 0 322.453 1.070 50 0 DDAARO OCC[NH2+]CCOCCOc1ccc(Br)cc1 ZINC000002980672 406708375 /nfs/dbraw/zinc/70/83/75/406708375.db2.gz ZDXYVYIDUNQLHT-UHFFFAOYSA-N 1 0 304.184 1.426 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2cccs2)c1 ZINC000069778949 406771028 /nfs/dbraw/zinc/77/10/28/406771028.db2.gz DMPYIHRSXATGBL-KGLIPLIRSA-N 1 0 320.462 1.979 50 0 DDAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)NC[C@H]1CCCO1 ZINC000069844337 406779284 /nfs/dbraw/zinc/77/92/84/406779284.db2.gz URHZNXSOEDDCAZ-OAHLLOKOSA-N 1 0 306.410 1.334 50 0 DDAARO Cc1ccn2ncc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[N@H+]3C)c2n1 ZINC000069849416 406782047 /nfs/dbraw/zinc/78/20/47/406782047.db2.gz RODPLVRCMBBRMI-LSDHHAIUSA-N 1 0 313.405 1.737 50 0 DDAARO CCN(C(=O)C[NH2+][C@H]1CCc2ncnn2C1)C1=CCCCC1 ZINC000069894923 406786329 /nfs/dbraw/zinc/78/63/29/406786329.db2.gz HMAULVGBWMVXFM-ZDUSSCGKSA-N 1 0 303.410 1.489 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000069927244 406793858 /nfs/dbraw/zinc/79/38/58/406793858.db2.gz PNVFELLEYGOPPQ-HZPDHXFCSA-N 1 0 307.438 1.474 50 0 DDAARO COCC[N@@H+]1CCN(CCOc2ccccc2OC)C[C@@H]1C ZINC000070008307 406800731 /nfs/dbraw/zinc/80/07/31/406800731.db2.gz HDRZUURXIHDXNH-HNNXBMFYSA-N 1 0 308.422 1.727 50 0 DDAARO C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816554 406798223 /nfs/dbraw/zinc/79/82/23/406798223.db2.gz UNPNEOKKJZKVSB-GFCCVEGCSA-N 1 0 307.369 1.247 50 0 DDAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)CC1 ZINC000071841793 406850954 /nfs/dbraw/zinc/85/09/54/406850954.db2.gz LBJUFXNGASZSKH-MRXNPFEDSA-N 1 0 315.417 1.247 50 0 DDAARO Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000071841295 406851268 /nfs/dbraw/zinc/85/12/68/406851268.db2.gz ZYXZTDXNHAHPOF-HZPDHXFCSA-N 1 0 311.389 1.267 50 0 DDAARO C[C@@H](O)C[NH+]1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000071847288 406852278 /nfs/dbraw/zinc/85/22/78/406852278.db2.gz MZIALDXFXFTLNU-OAHLLOKOSA-N 1 0 300.406 1.371 50 0 DDAARO Cc1ccc(N2CCC[C@H]([NH2+]Cc3nc(C)ccc3O)C2)nn1 ZINC000071877211 406859651 /nfs/dbraw/zinc/85/96/51/406859651.db2.gz OUMHWEINAXRHRL-AWEZNQCLSA-N 1 0 313.405 1.953 50 0 DDAARO C[C@H](O)[C@H]1CCCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000071883596 406860829 /nfs/dbraw/zinc/86/08/29/406860829.db2.gz ZFROWBOILLCPGY-SWLSCSKDSA-N 1 0 302.374 1.518 50 0 DDAARO Cc1ccc2nc(C[NH2+][C@H](C)[C@@H](C)n3cccn3)cc(=O)n2c1 ZINC000071882087 406860885 /nfs/dbraw/zinc/86/08/85/406860885.db2.gz NFVWNPLUNXSRJM-ZIAGYGMSSA-N 1 0 311.389 1.939 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000071880432 406861179 /nfs/dbraw/zinc/86/11/79/406861179.db2.gz XSDCCDFYTVVQER-DLBZAZTESA-N 1 0 315.417 1.761 50 0 DDAARO O=C(NCCCc1nnc[nH]1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000071916626 406868298 /nfs/dbraw/zinc/86/82/98/406868298.db2.gz MRRVTBKZLONNGS-OAHLLOKOSA-N 1 0 313.405 1.518 50 0 DDAARO O=C(COc1cccc(F)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269374 406875658 /nfs/dbraw/zinc/87/56/58/406875658.db2.gz FMAJKOKMIKIIHV-CVEARBPZSA-N 1 0 322.380 1.262 50 0 DDAARO CC[C@@H](O)CN1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000072268887 406875926 /nfs/dbraw/zinc/87/59/26/406875926.db2.gz LDAJXPHLSFBRJO-HZPDHXFCSA-N 1 0 311.470 1.022 50 0 DDAARO O=C(CCc1cccs1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269119 406876591 /nfs/dbraw/zinc/87/65/91/406876591.db2.gz GMXFKUYGWVXPNH-LSDHHAIUSA-N 1 0 308.447 1.738 50 0 DDAARO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014971989 406877335 /nfs/dbraw/zinc/87/73/35/406877335.db2.gz DSQALZCZDVFDCX-AWEZNQCLSA-N 1 0 300.366 1.474 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000072298357 406879594 /nfs/dbraw/zinc/87/95/94/406879594.db2.gz LNFHIGQRCFJXDI-ZBFHGGJFSA-N 1 0 303.410 1.638 50 0 DDAARO COc1cc(C[NH2+][C@H](C)Cn2ccnc2)cc2c1OCCO2 ZINC000030909806 406935178 /nfs/dbraw/zinc/93/51/78/406935178.db2.gz OGNYMSKAKWFKJO-GFCCVEGCSA-N 1 0 303.362 1.841 50 0 DDAARO C[N@H+](CCn1nc2ccccn2c1=O)Cc1cccc(F)c1 ZINC000032777993 406953249 /nfs/dbraw/zinc/95/32/49/406953249.db2.gz VSNXMIJRRPOVQJ-UHFFFAOYSA-N 1 0 300.337 1.767 50 0 DDAARO CN1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1=O ZINC000044911749 407033044 /nfs/dbraw/zinc/03/30/44/407033044.db2.gz HCHSZVKRFZAWFT-CHWSQXEVSA-N 1 0 321.446 1.480 50 0 DDAARO CC(C)c1noc(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000044942016 407035474 /nfs/dbraw/zinc/03/54/74/407035474.db2.gz YGPSCEOWQNCHAJ-CHWSQXEVSA-N 1 0 306.410 1.869 50 0 DDAARO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N(C)C)nc2)C1 ZINC000044969296 407036301 /nfs/dbraw/zinc/03/63/01/407036301.db2.gz AGHCHECSIBHJMM-AWEZNQCLSA-N 1 0 319.453 1.679 50 0 DDAARO Cc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cnn(C)c3)C2)no1 ZINC000078771307 407044598 /nfs/dbraw/zinc/04/45/98/407044598.db2.gz MOAGHXGKDHCLBF-AWEZNQCLSA-N 1 0 304.398 1.208 50 0 DDAARO CCc1cc2c(nc(CC)nc2N2CC[NH+](CCO)CC2)s1 ZINC000041090157 407005684 /nfs/dbraw/zinc/00/56/84/407005684.db2.gz QDFWXFBKWGNZHP-UHFFFAOYSA-N 1 0 320.462 1.930 50 0 DDAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000048231298 407092377 /nfs/dbraw/zinc/09/23/77/407092377.db2.gz WILIFECMTDORKZ-UHFFFAOYSA-N 1 0 324.446 1.774 50 0 DDAARO Cn1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cn1 ZINC000046034219 407052488 /nfs/dbraw/zinc/05/24/88/407052488.db2.gz KFLVDHNZMHPISD-UHFFFAOYSA-N 1 0 314.455 1.353 50 0 DDAARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000089107884 407122465 /nfs/dbraw/zinc/12/24/65/407122465.db2.gz UCPHHJJRNBWXBF-SKDRFNHKSA-N 1 0 304.362 1.761 50 0 DDAARO CCn1cnnc1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000089310137 407130906 /nfs/dbraw/zinc/13/09/06/407130906.db2.gz MGVUACSLFZHUAC-CQSZACIVSA-N 1 0 322.457 1.608 50 0 DDAARO O=c1[nH]c(CC[N@H+](C[C@@H]2CCOC2)C2CC2)nc2ccccc21 ZINC000054175124 407179397 /nfs/dbraw/zinc/17/93/97/407179397.db2.gz IVPSHDQRBFVLSM-ZDUSSCGKSA-N 1 0 313.401 1.967 50 0 DDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc[n+]2[O-])C1 ZINC000054223012 407180455 /nfs/dbraw/zinc/18/04/55/407180455.db2.gz NLEPZGDLINVLAU-ZBFHGGJFSA-N 1 0 311.385 1.885 50 0 DDAARO O=C(c1ccc(CN2CC[NH+](CCO)CC2)cc1)N1CCCC1 ZINC000054358063 407184042 /nfs/dbraw/zinc/18/40/42/407184042.db2.gz KRQXYOUBQTVIQH-UHFFFAOYSA-N 1 0 317.433 1.033 50 0 DDAARO COCCN1CC[NH+](CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000054429448 407184786 /nfs/dbraw/zinc/18/47/86/407184786.db2.gz AMBIAAWLIQTOMW-INIZCTEOSA-N 1 0 319.449 1.518 50 0 DDAARO O=C(NC[C@@H]1COCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054614639 407186769 /nfs/dbraw/zinc/18/67/69/407186769.db2.gz VDGNSEWJKACNBO-QGZVFWFLSA-N 1 0 318.417 1.818 50 0 DDAARO CCCC(=O)N1CCC(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000055377965 407201545 /nfs/dbraw/zinc/20/15/45/407201545.db2.gz MCDHREWOACOIGZ-OAHLLOKOSA-N 1 0 323.481 1.873 50 0 DDAARO CCCCSc1nc(N)cc(N[C@@H]2C[C@@H](CO)[N@H+](C)C2)n1 ZINC000095376569 407210847 /nfs/dbraw/zinc/21/08/47/407210847.db2.gz MQFSJKYCUUFZEL-MNOVXSKESA-N 1 0 311.455 1.428 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000095478029 407213939 /nfs/dbraw/zinc/21/39/39/407213939.db2.gz MILHUWPTMBRQRI-ZDUSSCGKSA-N 1 0 313.401 1.753 50 0 DDAARO COCC[NH+]1CCC(NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000095955612 407217016 /nfs/dbraw/zinc/21/70/16/407217016.db2.gz ISTUOEZZNKEWSK-INIZCTEOSA-N 1 0 306.406 1.601 50 0 DDAARO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)C1CCOCC1 ZINC000095985387 407221085 /nfs/dbraw/zinc/22/10/85/407221085.db2.gz YKOOHNMFEQAHPC-CQSZACIVSA-N 1 0 302.418 1.976 50 0 DDAARO O[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000095983996 407221104 /nfs/dbraw/zinc/22/11/04/407221104.db2.gz YOHKGVURIRSALW-IRXDYDNUSA-N 1 0 314.433 1.984 50 0 DDAARO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000095985490 407221321 /nfs/dbraw/zinc/22/13/21/407221321.db2.gz BSPCJQOMTWBGKG-HZPDHXFCSA-N 1 0 324.396 1.332 50 0 DDAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCc3ccccc32)C1 ZINC000067542083 407275477 /nfs/dbraw/zinc/27/54/77/407275477.db2.gz MLXUBUWUBMOZLV-CQSZACIVSA-N 1 0 315.417 1.422 50 0 DDAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC=CC1 ZINC000097081793 407278928 /nfs/dbraw/zinc/27/89/28/407278928.db2.gz QBZMJRZSGSTSJV-QGZVFWFLSA-N 1 0 300.402 1.836 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C1Cc2ccccc2C1 ZINC000067690855 407280278 /nfs/dbraw/zinc/28/02/78/407280278.db2.gz OVLVOFDPSSNZKO-RDJZCZTQSA-N 1 0 301.434 1.424 50 0 DDAARO CS(=O)(=O)N[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000097103065 407280395 /nfs/dbraw/zinc/28/03/95/407280395.db2.gz HVIOBVXTXIBXQO-LBPRGKRZSA-N 1 0 323.393 1.892 50 0 DDAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cnc2c(F)cccc2c1O ZINC000097117373 407281056 /nfs/dbraw/zinc/28/10/56/407281056.db2.gz SSSGGVCTGBHDGT-AWEZNQCLSA-N 1 0 315.348 1.491 50 0 DDAARO Cc1n[nH]c(C)c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000097160051 407283994 /nfs/dbraw/zinc/28/39/94/407283994.db2.gz AMYTYDNKQLPLGZ-OAHLLOKOSA-N 1 0 310.467 1.324 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C/C=C/c1ccccc1 ZINC000067787438 407284540 /nfs/dbraw/zinc/28/45/40/407284540.db2.gz ILQOYGWBTHHKCW-BAMWUGHESA-N 1 0 301.434 1.970 50 0 DDAARO Cn1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)nc2)cn1 ZINC000097197971 407285976 /nfs/dbraw/zinc/28/59/76/407285976.db2.gz SXXAWGHFNYDQCE-UHFFFAOYSA-N 1 0 315.421 1.314 50 0 DDAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc2scnc2c1 ZINC000067850933 407286894 /nfs/dbraw/zinc/28/68/94/407286894.db2.gz UICAKGDNCHOBBB-GFCCVEGCSA-N 1 0 319.430 1.730 50 0 DDAARO CCc1c(C)nn(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000067921894 407289883 /nfs/dbraw/zinc/28/98/83/407289883.db2.gz ZUJQFLYWDLXYMJ-QGZVFWFLSA-N 1 0 304.438 1.664 50 0 DDAARO CC(C)=CC(=O)NCC[C@@H]1CN(C2CC[NH+](C)CC2)CCO1 ZINC000067947836 407291649 /nfs/dbraw/zinc/29/16/49/407291649.db2.gz BESOMVKJDABYEX-MRXNPFEDSA-N 1 0 309.454 1.254 50 0 DDAARO C[C@H](C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000097380083 407293389 /nfs/dbraw/zinc/29/33/89/407293389.db2.gz LWYLFEIXHOJLIQ-IUODEOHRSA-N 1 0 321.396 1.733 50 0 DDAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)CCc2ccccn2)C1 ZINC000097578569 407299780 /nfs/dbraw/zinc/29/97/80/407299780.db2.gz KPUPXYRJIKONGV-INIZCTEOSA-N 1 0 305.422 1.582 50 0 DDAARO C[NH+]1CCC(O)(C(=O)NC2(c3ccccc3Cl)CC2)CC1 ZINC000097785114 407302820 /nfs/dbraw/zinc/30/28/20/407302820.db2.gz PGPJZHZPYYRFIK-UHFFFAOYSA-N 1 0 308.809 1.902 50 0 DDAARO COCCCNC(=O)[C@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257187295 407484320 /nfs/dbraw/zinc/48/43/20/407484320.db2.gz ALOVOBFAXIXANZ-SFHVURJKSA-N 1 0 320.433 1.414 50 0 DDAARO O=C(c1cc(Cl)c[nH]c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000215870958 407489227 /nfs/dbraw/zinc/48/92/27/407489227.db2.gz UPPCRXKDLVYTJM-GFCCVEGCSA-N 1 0 309.797 1.729 50 0 DDAARO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cnn(C)c1 ZINC000170594389 407444626 /nfs/dbraw/zinc/44/46/26/407444626.db2.gz QRVARGFILZBHAN-SFHVURJKSA-N 1 0 314.433 1.892 50 0 DDAARO Cc1nc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c[nH]1 ZINC000170608401 407452464 /nfs/dbraw/zinc/45/24/64/407452464.db2.gz DMYZXYGKXNAJCC-ZDUSSCGKSA-N 1 0 314.455 1.507 50 0 DDAARO Cc1cc(=O)n(CC[N@@H+]2CCCC[C@@H]2c2ccccn2)c(=O)[nH]1 ZINC000253536912 407454412 /nfs/dbraw/zinc/45/44/12/407454412.db2.gz QKECSTKFPBFCDC-OAHLLOKOSA-N 1 0 314.389 1.880 50 0 DDAARO CC[NH+](CC)CCCN1C[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000225419685 407585228 /nfs/dbraw/zinc/58/52/28/407585228.db2.gz SZZQJDIGWSDDGT-UONOGXRCSA-N 1 0 305.488 1.073 50 0 DDAARO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](O)c1cccc(F)c1)CC2 ZINC000219282183 407528180 /nfs/dbraw/zinc/52/81/80/407528180.db2.gz INYNAFHASAWIFX-OAHLLOKOSA-N 1 0 306.381 1.803 50 0 DDAARO Cc1nccn1CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000219976389 407535634 /nfs/dbraw/zinc/53/56/34/407535634.db2.gz PSXYDSPRQNRHRU-KRWDZBQOSA-N 1 0 312.417 1.797 50 0 DDAARO CC(C)n1cnnc1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219948378 407536004 /nfs/dbraw/zinc/53/60/04/407536004.db2.gz PXWMDRFOQUYQQT-UHFFFAOYSA-N 1 0 316.413 1.072 50 0 DDAARO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229383845 407662826 /nfs/dbraw/zinc/66/28/26/407662826.db2.gz LFFUUTAPEQZAPU-CABCVRRESA-N 1 0 322.430 1.447 50 0 DDAARO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000133267172 407826150 /nfs/dbraw/zinc/82/61/50/407826150.db2.gz KUKGTSIKRAKKLD-FUUBYGMNSA-N 1 0 319.467 1.721 50 0 DDAARO CCN1CC[NH+]([C@@H]2CCN(c3ccnc4ccncc43)C2)CC1 ZINC000268024197 407860207 /nfs/dbraw/zinc/86/02/07/407860207.db2.gz ZNDQPBRADQHQHH-OAHLLOKOSA-N 1 0 311.433 1.846 50 0 DDAARO Cc1cnn(CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000117816019 407865050 /nfs/dbraw/zinc/86/50/50/407865050.db2.gz GMZMPJBLCHHCDN-INIZCTEOSA-N 1 0 300.406 1.481 50 0 DDAARO CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000153795722 407904428 /nfs/dbraw/zinc/90/44/28/407904428.db2.gz BRXJBDFJPRVMPM-BETUJISGSA-N 1 0 324.446 1.691 50 0 DDAARO CC(=O)Nc1ccccc1NC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000241081904 407910949 /nfs/dbraw/zinc/91/09/49/407910949.db2.gz YSEVLKWJDKSZGE-CYBMUJFWSA-N 1 0 304.394 1.219 50 0 DDAARO CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000154088971 407967809 /nfs/dbraw/zinc/96/78/09/407967809.db2.gz WWNVLDQKMAMCFW-VXGBXAGGSA-N 1 0 310.419 1.303 50 0 DDAARO Cc1scc(CCNC(=O)CN2CC[C@H]([NH+](C)C)C2)c1C ZINC000244741859 407936184 /nfs/dbraw/zinc/93/61/84/407936184.db2.gz NYACAWNFMVIBSN-HNNXBMFYSA-N 1 0 309.479 1.660 50 0 DDAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000244795685 407938687 /nfs/dbraw/zinc/93/86/87/407938687.db2.gz RLUCWPBNPMMDPN-XJKCOSOUSA-N 1 0 324.371 1.834 50 0 DDAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(OC)n1 ZINC000176468736 408375641 /nfs/dbraw/zinc/37/56/41/408375641.db2.gz CDHQWCLAXHPBFL-CABCVRRESA-N 1 0 318.421 1.858 50 0 DDAARO O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247754465 408508466 /nfs/dbraw/zinc/50/84/66/408508466.db2.gz YFFWYZOWVGITBT-HOTGVXAUSA-N 1 0 301.390 1.787 50 0 DDAARO OCC[N@@H+]1CCCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000184023596 408534411 /nfs/dbraw/zinc/53/44/11/408534411.db2.gz JRQHWQYCUURKKE-UHFFFAOYSA-N 1 0 312.417 1.572 50 0 DDAARO C[C@@H](Cc1cnccn1)N(C)C(=O)CSCC[NH+]1CCCC1 ZINC000252502582 408799897 /nfs/dbraw/zinc/79/98/97/408799897.db2.gz URBYFMZCUQLGRG-AWEZNQCLSA-N 1 0 322.478 1.695 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000167812667 408818008 /nfs/dbraw/zinc/81/80/08/408818008.db2.gz RISHBUPLSVHWDN-JTQLQIEISA-N 1 0 316.232 1.985 50 0 DDAARO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000168321432 408818565 /nfs/dbraw/zinc/81/85/65/408818565.db2.gz QJBPYKQTGHXUSR-OLZOCXBDSA-N 1 0 310.467 1.781 50 0 DDAARO O=C(NC1CCN(c2nccs2)CC1)C12CCC[NH+]1CCC2 ZINC000290879353 408848857 /nfs/dbraw/zinc/84/88/57/408848857.db2.gz LWVBJSWUUMYFRC-UHFFFAOYSA-N 1 0 320.462 1.857 50 0 DDAARO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000229536626 163344959 /nfs/dbraw/zinc/34/49/59/163344959.db2.gz ZJSWPIUTXPZTIH-RDJZCZTQSA-N 1 0 323.481 1.644 50 0 DDAARO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H](C)N1CCOCC1 ZINC000095421986 287013706 /nfs/dbraw/zinc/01/37/06/287013706.db2.gz FRUQLBIGMUOKLW-OLZOCXBDSA-N 1 0 305.413 1.415 50 0 DDAARO COc1c(C)cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1C ZINC000285588657 409499353 /nfs/dbraw/zinc/49/93/53/409499353.db2.gz BVQXZCAETNQCDY-HOTGVXAUSA-N 1 0 318.417 1.857 50 0 DDAARO C[C@@H](CCC(=O)NCc1ccc(C(=O)N(C)C)o1)[NH+]1CCCC1 ZINC000299777111 410620170 /nfs/dbraw/zinc/62/01/70/410620170.db2.gz OJAQROINQAWCIQ-ZDUSSCGKSA-N 1 0 321.421 1.862 50 0 DDAARO Cc1cc(=O)cc(C(=O)N2CCC3(CCC[N@H+](C)C3)CC2)n1C ZINC000299779484 410620202 /nfs/dbraw/zinc/62/02/02/410620202.db2.gz VWEDHUXLHBBITH-UHFFFAOYSA-N 1 0 317.433 1.642 50 0 DDAARO CCCNc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cn1 ZINC000299779365 410621796 /nfs/dbraw/zinc/62/17/96/410621796.db2.gz NKDBXHLLJFHEMG-YQQAZPJKSA-N 1 0 320.437 1.803 50 0 DDAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCCc2cccc(F)c2)C1 ZINC000299788055 410627978 /nfs/dbraw/zinc/62/79/78/410627978.db2.gz UVBONEGAUYFQFH-INIZCTEOSA-N 1 0 307.413 1.510 50 0 DDAARO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[NH2+]CC2 ZINC000299794598 410634558 /nfs/dbraw/zinc/63/45/58/410634558.db2.gz LDYARRLQUIBOHE-SECBINFHSA-N 1 0 321.331 1.193 50 0 DDAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1Br ZINC000131730282 196194468 /nfs/dbraw/zinc/19/44/68/196194468.db2.gz NGMIZHWQPFNONC-VIFPVBQESA-N 1 0 319.224 1.561 50 0 DDAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COC[C@@H]2CCCO2)on1 ZINC000044975747 418436122 /nfs/dbraw/zinc/43/61/22/418436122.db2.gz KUDDLAJGWWUYBN-KKUMJFAQSA-N 1 0 310.394 1.676 50 0 DDAARO C[N@H+](CC(=O)N1CCN(Cc2ccccc2F)CC1)C1CC1 ZINC000047921555 418462408 /nfs/dbraw/zinc/46/24/08/418462408.db2.gz JYOZOLOXRUOHST-UHFFFAOYSA-N 1 0 305.397 1.564 50 0 DDAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000047980607 418463002 /nfs/dbraw/zinc/46/30/02/418463002.db2.gz YTGJQBCYEFMXDR-CQSZACIVSA-N 1 0 323.462 1.456 50 0 DDAARO CN(C)c1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)ccn1 ZINC000048711437 418474385 /nfs/dbraw/zinc/47/43/85/418474385.db2.gz OMZQCHZPZLNXOZ-UHFFFAOYSA-N 1 0 312.421 1.828 50 0 DDAARO COc1ccccc1COC[C@H](O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000241446988 222212071 /nfs/dbraw/zinc/21/20/71/222212071.db2.gz NQFPKWRUQLEPMD-IJEWVQPXSA-N 1 0 309.406 1.682 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000247093961 222227423 /nfs/dbraw/zinc/22/74/23/222227423.db2.gz HSIHCRXTKHQJMH-CVEARBPZSA-N 1 0 314.433 1.759 50 0 DDAARO CC(C)n1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000408516028 418806335 /nfs/dbraw/zinc/80/63/35/418806335.db2.gz DOVFBNZAUCWDHH-OAHLLOKOSA-N 1 0 320.437 1.791 50 0 DDAARO CCc1nnc(CN(C)C(=O)NC[C@H]2CCC[N@@H+](CC)C2)o1 ZINC000426698199 419532525 /nfs/dbraw/zinc/53/25/25/419532525.db2.gz IQCJBFYGVCVUBY-GFCCVEGCSA-N 1 0 309.414 1.505 50 0 DDAARO CCc1nnc(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)o1 ZINC000426698200 419532718 /nfs/dbraw/zinc/53/27/18/419532718.db2.gz IQCJBFYGVCVUBY-LBPRGKRZSA-N 1 0 309.414 1.505 50 0 DDAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2ccccn2)C1 ZINC000426599838 419515763 /nfs/dbraw/zinc/51/57/63/419515763.db2.gz YZRRMCVXVRMQSA-HNNXBMFYSA-N 1 0 304.438 1.996 50 0 DDAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000299747000 229389555 /nfs/dbraw/zinc/38/95/55/229389555.db2.gz BUCNFZMCIYUGQT-PEXQALLHSA-N 1 0 318.295 1.485 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000630092026 421884731 /nfs/dbraw/zinc/88/47/31/421884731.db2.gz BFYIJYUCDQBXRY-HNNXBMFYSA-N 1 0 313.348 1.885 50 0 DDAARO C[C@@H]1CN(c2ccc3nnc(-c4ccccc4)n3n2)C[C@H](C)[NH2+]1 ZINC000583651351 422210627 /nfs/dbraw/zinc/21/06/27/422210627.db2.gz LHISBXRMZPYGRU-BETUJISGSA-N 1 0 308.389 1.978 50 0 DDAARO Cc1nc(N)sc1CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000584897570 422302512 /nfs/dbraw/zinc/30/25/12/422302512.db2.gz AHHGSIOHEMOEOD-GFCCVEGCSA-N 1 0 308.451 1.663 50 0 DDAARO Cc1cc(N2CCN(Cc3coc(C(C)C)n3)CC2)nc(N)[nH+]1 ZINC000584901572 422303320 /nfs/dbraw/zinc/30/33/20/422303320.db2.gz VIHFTWOXPUHOQE-UHFFFAOYSA-N 1 0 316.409 1.801 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000065491737 273571985 /nfs/dbraw/zinc/57/19/85/273571985.db2.gz KPLFJSQDEXPXEX-ZDUSSCGKSA-N 1 0 304.442 1.984 50 0 DDAARO O=C(Nc1cnns1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299770213 275001552 /nfs/dbraw/zinc/00/15/52/275001552.db2.gz NYOASORLOCKUIN-NSHDSACASA-N 1 0 311.411 1.257 50 0 DDAARO CC(C)NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000241897164 275652926 /nfs/dbraw/zinc/65/29/26/275652926.db2.gz TWDOJYDCCASACL-OAGGEKHMSA-N 1 0 321.465 1.670 50 0 DDAARO CC(=O)NCCCC(=O)N[C@H]1C[N@@H+](CC2CC2)C[C@@H]1C(C)C ZINC000091350904 277029476 /nfs/dbraw/zinc/02/94/76/277029476.db2.gz DZNAXODECKFFOV-CVEARBPZSA-N 1 0 309.454 1.385 50 0 DDAARO CC1(C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000089917447 278439261 /nfs/dbraw/zinc/43/92/61/278439261.db2.gz FNMGAZGSQSLAFC-ZNMIVQPWSA-N 1 0 307.438 1.726 50 0 DDAARO Cc1cnc(C)c(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)n1 ZINC000252508625 279010755 /nfs/dbraw/zinc/01/07/55/279010755.db2.gz XPYZXCOOHYYDHR-DLBZAZTESA-N 1 0 315.465 1.700 50 0 DDAARO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1 ZINC000223007512 279027528 /nfs/dbraw/zinc/02/75/28/279027528.db2.gz GSFLXBQHDNWYHU-GJZGRUSLSA-N 1 0 303.406 1.590 50 0 DDAARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc2cnccc21 ZINC000070543147 279141954 /nfs/dbraw/zinc/14/19/54/279141954.db2.gz DAACLEIYMOYJRZ-CYBMUJFWSA-N 1 0 307.419 1.887 50 0 DDAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1 ZINC000035421800 279174392 /nfs/dbraw/zinc/17/43/92/279174392.db2.gz RFYNTFRFBHMNCG-UHFFFAOYSA-N 1 0 317.433 1.587 50 0 DDAARO Cc1ccc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)nn1 ZINC000096141042 280864181 /nfs/dbraw/zinc/86/41/81/280864181.db2.gz OBJORVRCNSNYDN-OAHLLOKOSA-N 1 0 303.454 1.637 50 0 DDAARO c1ccc(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000096476743 304854955 /nfs/dbraw/zinc/85/49/55/304854955.db2.gz SIGQJAIJGVMDIY-MRXNPFEDSA-N 1 0 322.474 1.993 50 0 DDAARO CCOc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C2)cccc1OC ZINC000534587707 334292754 /nfs/dbraw/zinc/29/27/54/334292754.db2.gz FIHRBRHSUHHPMB-CQSZACIVSA-N 1 0 321.421 1.939 50 0 DDAARO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1C[NH2+]C[C@H]1O ZINC000534656774 334314191 /nfs/dbraw/zinc/31/41/91/334314191.db2.gz WAENVEDDVWTSMD-HZPDHXFCSA-N 1 0 313.357 1.933 50 0 DDAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1cnc2c(C)cccn12 ZINC000534658811 334314853 /nfs/dbraw/zinc/31/48/53/334314853.db2.gz HZMCEUZXFFYLFR-CYBMUJFWSA-N 1 0 324.450 1.450 50 0 DDAARO Cc1cccc(OC2CN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000534663439 334323001 /nfs/dbraw/zinc/32/30/01/334323001.db2.gz LLAJDWLFNCPYAF-AWEZNQCLSA-N 1 0 303.406 1.862 50 0 DDAARO C[C@@H](NC(=O)NCC(C)(C)[NH+](C)C)[C@@H](O)c1ccc(O)cc1 ZINC000534664018 334323333 /nfs/dbraw/zinc/32/33/33/334323333.db2.gz TVOSQPNOZBFTRX-BXUZGUMPSA-N 1 0 309.410 1.454 50 0 DDAARO Cn1cc([C@@]2(C)CN(CCC[NH+]3CCCCC3)CCO2)cn1 ZINC000097103398 337382288 /nfs/dbraw/zinc/38/22/88/337382288.db2.gz FDSZJKGYSXLXPP-QGZVFWFLSA-N 1 0 306.454 1.844 50 0 DDAARO O=C(CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)Nc1cccnc1 ZINC000097376425 337382646 /nfs/dbraw/zinc/38/26/46/337382646.db2.gz HBPRLQJZTAWMMA-OAHLLOKOSA-N 1 0 302.378 1.011 50 0 DDAARO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000084259083 483993479 /nfs/dbraw/zinc/99/34/79/483993479.db2.gz COBOODZVCVSBLQ-HOTGVXAUSA-N 1 0 321.421 1.975 50 0 DDAARO CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)C[C@H]1[NH+](C)C ZINC000084735529 483998955 /nfs/dbraw/zinc/99/89/55/483998955.db2.gz SILFKDSUHJIZQR-UKRRQHHQSA-N 1 0 320.437 1.118 50 0 DDAARO CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000084671326 483999544 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Cc1nccn1CC1(CNc2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072417959 191154977 /nfs/dbraw/zinc/15/49/77/191154977.db2.gz BPGOQJGTTYABGQ-UHFFFAOYSA-N 1 0 312.421 1.562 50 0 DDAARO CS(=O)(=O)c1cnc(NC2CCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072456944 191173153 /nfs/dbraw/zinc/17/31/53/191173153.db2.gz WVPDMYLPQJHKPS-SNVBAGLBSA-N 1 0 310.423 1.312 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000043760844 352373577 /nfs/dbraw/zinc/37/35/77/352373577.db2.gz LCJOVPVEQHMTHB-COLVAYQJSA-N 1 0 316.405 1.054 50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000072268800 353195819 /nfs/dbraw/zinc/19/58/19/353195819.db2.gz HJJPLRPIPKAIIH-HNNXBMFYSA-N 1 0 301.394 1.078 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3cccs3)C[C@@H]2C)CC1 ZINC000076055349 353394772 /nfs/dbraw/zinc/39/47/72/353394772.db2.gz ZZTXCOGGUOJUJR-YOEHRIQHSA-N 1 0 321.490 1.775 50 0 DDAARO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O ZINC000078899278 353539057 /nfs/dbraw/zinc/53/90/57/353539057.db2.gz 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CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C[NH3+])cc1)CC2 ZINC000262344446 203268759 /nfs/dbraw/zinc/26/87/59/203268759.db2.gz XPFUQZKFIMGHIP-JKSUJKDBSA-N 1 0 318.417 1.537 50 0 DDAARO CCC[C@](C)([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000262534684 203321158 /nfs/dbraw/zinc/32/11/58/203321158.db2.gz JLQJMRBWUHDJKL-INIZCTEOSA-N 1 0 306.410 1.683 50 0 DDAARO COCC[N@H+]1[C@H](C)CN(Cc2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000093479260 193257378 /nfs/dbraw/zinc/25/73/78/193257378.db2.gz YOTRDVUBEUOPNH-ZCCHDVMBSA-N 1 0 324.490 1.965 50 0 DDAARO CO[C@@H](C[NH3+])CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262759105 203399145 /nfs/dbraw/zinc/39/91/45/203399145.db2.gz FNAIVPXJJITBKV-CQSZACIVSA-N 1 0 310.369 1.311 50 0 DDAARO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000094345719 193363485 /nfs/dbraw/zinc/36/34/85/193363485.db2.gz APEVGEIMINCIOT-MWLCHTKSSA-N 1 0 322.352 1.982 50 0 DDAARO CC(C)[NH+]1CCC(C(=O)NCc2cn3cccnc3n2)CC1 ZINC000095387282 193442031 /nfs/dbraw/zinc/44/20/31/193442031.db2.gz 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50 0 DDAARO Nc1ccc(C(=O)N[C@H]2C[N@@H+](C3CCCCC3)C[C@@H]2O)cc1 ZINC000059689411 184140052 /nfs/dbraw/zinc/14/00/52/184140052.db2.gz FPENEWMDWUUMIT-HOTGVXAUSA-N 1 0 303.406 1.376 50 0 DDAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000065371513 184330235 /nfs/dbraw/zinc/33/02/35/184330235.db2.gz MZXIETQXERPXAR-ZDUSSCGKSA-N 1 0 319.405 1.482 50 0 DDAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000065429271 184343435 /nfs/dbraw/zinc/34/34/35/184343435.db2.gz ICXGYZGMDGUJPQ-UHFFFAOYSA-N 1 0 311.389 1.624 50 0 DDAARO CC[C@@H](C[NH2+]C1CCN(C(=O)C(C)C)CC1)N1CCOCC1 ZINC000065462214 184349079 /nfs/dbraw/zinc/34/90/79/184349079.db2.gz MDZDYVRCCIVNNV-INIZCTEOSA-N 1 0 311.470 1.334 50 0 DDAARO CCn1c(CC2CC[NH2+]CC2)nn(CCn2cccc2)c1=O ZINC000065396417 184335342 /nfs/dbraw/zinc/33/53/42/184335342.db2.gz GPNOEYBIOOFIFA-UHFFFAOYSA-N 1 0 303.410 1.109 50 0 DDAARO CCOc1cccc(C(=O)NC[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000065588757 184369455 /nfs/dbraw/zinc/36/94/55/184369455.db2.gz SBAIJQXRFZVHCA-CQSZACIVSA-N 1 0 306.406 1.783 50 0 DDAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C/c2cnn(C)c2)cn1 ZINC000065609187 184372488 /nfs/dbraw/zinc/37/24/88/184372488.db2.gz FMIUVVZUFJWVNU-VOTSOKGWSA-N 1 0 316.409 1.610 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)[C@H](OC)c2ccccc2)C1 ZINC000065612981 184373773 /nfs/dbraw/zinc/37/37/73/184373773.db2.gz HGSKPZPJHJGGCR-GDBMZVCRSA-N 1 0 306.406 1.459 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000237731717 256600111 /nfs/dbraw/zinc/60/01/11/256600111.db2.gz ICMBGBZUZUOXTL-UHFFFAOYSA-N 1 0 322.352 1.998 50 0 DDAARO Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000521394653 257240903 /nfs/dbraw/zinc/24/09/03/257240903.db2.gz WKPSOPFOYQQFAY-NXEZZACHSA-N 1 0 304.362 1.774 50 0 DDAARO CC(C)n1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000521394360 257241530 /nfs/dbraw/zinc/24/15/30/257241530.db2.gz LENOYUJKIHTRJJ-GJZGRUSLSA-N 1 0 306.410 1.399 50 0 DDAARO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000496714246 307357678 /nfs/dbraw/zinc/35/76/78/307357678.db2.gz AQJUXXGBUCBXSC-STQMWFEESA-N 1 0 313.442 1.591 50 0 DDAARO Cc1cc(=O)n(C)c(=O)n1CCCC[NH2+]Cc1ccccc1 ZINC000002381329 406687051 /nfs/dbraw/zinc/68/70/51/406687051.db2.gz SNGDPUYEJJMHCO-UHFFFAOYSA-N 1 0 301.390 1.425 50 0 DDAARO Cc1cccc(C2(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)CC2)c1 ZINC000069777146 406771242 /nfs/dbraw/zinc/77/12/42/406771242.db2.gz ZRFAMXPJKOUNJS-INIZCTEOSA-N 1 0 315.461 1.779 50 0 DDAARO Clc1ccc2nc(C[NH2+][C@@H]3CCc4ncnn4C3)cn2c1 ZINC000069589920 406738807 /nfs/dbraw/zinc/73/88/07/406738807.db2.gz MOAYEPZJHDFRDA-LLVKDONJSA-N 1 0 302.769 1.684 50 0 DDAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1cccc3c1OCO3)CC2 ZINC000069590025 406740405 /nfs/dbraw/zinc/74/04/05/406740405.db2.gz GLBHMFJYSUQEJR-LBPRGKRZSA-N 1 0 314.389 1.921 50 0 DDAARO C[C@H](OC[C@@H](O)C[NH2+]CCOCCO)c1ccc(Cl)cc1 ZINC000006936431 406743618 /nfs/dbraw/zinc/74/36/18/406743618.db2.gz JSVCAZLHEZKVLX-WFASDCNBSA-N 1 0 317.813 1.377 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000069626860 406745159 /nfs/dbraw/zinc/74/51/59/406745159.db2.gz ZGOJIMWCUVWORB-HNNXBMFYSA-N 1 0 320.437 1.045 50 0 DDAARO CCc1cccc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000007003308 406746385 /nfs/dbraw/zinc/74/63/85/406746385.db2.gz LXBDFFIEHZUSTC-OAHLLOKOSA-N 1 0 306.406 1.186 50 0 DDAARO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000008317539 406783180 /nfs/dbraw/zinc/78/31/80/406783180.db2.gz ZILCHFOLWJVNDL-LBPRGKRZSA-N 1 0 321.396 1.370 50 0 DDAARO Cc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000070016259 406803116 /nfs/dbraw/zinc/80/31/16/406803116.db2.gz VKNLIPHMJAOLRS-MRXNPFEDSA-N 1 0 319.449 1.484 50 0 DDAARO CCN(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)C1=CCCCC1 ZINC000070021782 406803593 /nfs/dbraw/zinc/80/35/93/406803593.db2.gz LLXOPLJPORLXRW-INIZCTEOSA-N 1 0 309.454 1.555 50 0 DDAARO Nc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cn1 ZINC000012716395 406850851 /nfs/dbraw/zinc/85/08/51/406850851.db2.gz LBYUZXMUEZIJEA-GFCCVEGCSA-N 1 0 315.377 1.294 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)NCCc1ccsc1 ZINC000071875691 406857835 /nfs/dbraw/zinc/85/78/35/406857835.db2.gz MDUOYWXOYFXZBI-OAHLLOKOSA-N 1 0 318.446 1.768 50 0 DDAARO O=C(CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000071882546 406860781 /nfs/dbraw/zinc/86/07/81/406860781.db2.gz NVCVJGCOBYJEOB-CQSZACIVSA-N 1 0 322.453 1.315 50 0 DDAARO COc1c([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c(C)nn1C ZINC000072267595 406876782 /nfs/dbraw/zinc/87/67/82/406876782.db2.gz GZBJFMDFFJSZKI-KBPBESRZSA-N 1 0 319.409 1.132 50 0 DDAARO CNC(=O)c1nn(C)c2c1C[C@H]([NH+]1CCCCCCC1)CC2 ZINC000014755473 406876865 /nfs/dbraw/zinc/87/68/65/406876865.db2.gz RAIPSUSILHJXGD-CYBMUJFWSA-N 1 0 304.438 1.903 50 0 DDAARO O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1(c2ccccc2)CC1 ZINC000072269390 406877490 /nfs/dbraw/zinc/87/74/90/406877490.db2.gz STBGGDZNHFCJTK-SJORKVTESA-N 1 0 314.429 1.776 50 0 DDAARO O=C(C[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)nc1 ZINC000025404217 406897891 /nfs/dbraw/zinc/89/78/91/406897891.db2.gz IJAVQFYPZUMOLQ-UHFFFAOYSA-N 1 0 318.421 1.020 50 0 DDAARO CNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000025755575 406900507 /nfs/dbraw/zinc/90/05/07/406900507.db2.gz GYRGXKUZRZPBJY-AWEZNQCLSA-N 1 0 310.369 1.023 50 0 DDAARO CCCCCNC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000071798600 406843997 /nfs/dbraw/zinc/84/39/97/406843997.db2.gz QFXHARXGZFGIBS-UHFFFAOYSA-N 1 0 312.458 1.453 50 0 DDAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000036297196 406978355 /nfs/dbraw/zinc/97/83/55/406978355.db2.gz IGRNYKDDKIAGBC-SECBINFHSA-N 1 0 324.324 1.697 50 0 DDAARO O=C(Nc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000075134241 406923411 /nfs/dbraw/zinc/92/34/11/406923411.db2.gz GKVFIZCPJIQGAG-GFCCVEGCSA-N 1 0 319.380 1.897 50 0 DDAARO C[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1[NH+](C)C ZINC000076050632 406951731 /nfs/dbraw/zinc/95/17/31/406951731.db2.gz HOZVFPLPCGGVLJ-FZMZJTMJSA-N 1 0 319.434 1.410 50 0 DDAARO CC(C)CNC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000032764904 406952284 /nfs/dbraw/zinc/95/22/84/406952284.db2.gz REGZVWOWYXONRV-QGZVFWFLSA-N 1 0 319.449 1.422 50 0 DDAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804131 406953270 /nfs/dbraw/zinc/95/32/70/406953270.db2.gz AJJQTHXZARTIFN-CYBMUJFWSA-N 1 0 315.417 1.157 50 0 DDAARO CC(C)N1C[C@@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000036397831 406980815 /nfs/dbraw/zinc/98/08/15/406980815.db2.gz SWESXULUMGEAAI-KBPBESRZSA-N 1 0 323.462 1.724 50 0 DDAARO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)o1 ZINC000044895583 407032389 /nfs/dbraw/zinc/03/23/89/407032389.db2.gz UTECAZRADYUKSQ-UHFFFAOYSA-N 1 0 314.389 1.665 50 0 DDAARO CC(C)(C)[S@](=O)CCNC(=O)NCC[NH+]1CCCCC1 ZINC000078802777 407046777 /nfs/dbraw/zinc/04/67/77/407046777.db2.gz ICCLZVYFHGBYJB-FQEVSTJZSA-N 1 0 303.472 1.319 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000037042927 406986714 /nfs/dbraw/zinc/98/67/14/406986714.db2.gz NWVZSZDLJDXBDF-KPXOXKRLSA-N 1 0 302.296 1.605 50 0 DDAARO Cc1cccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2=O)c1 ZINC000077456719 406991466 /nfs/dbraw/zinc/99/14/66/406991466.db2.gz DQYLVCBGRZLCOC-UHFFFAOYSA-N 1 0 315.417 1.262 50 0 DDAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(-c2ccc(O)cc2)c1 ZINC000077504647 406993419 /nfs/dbraw/zinc/99/34/19/406993419.db2.gz HUMXQWXLSTZYEU-IAGOWNOFSA-N 1 0 312.369 1.512 50 0 DDAARO O[C@@]1(CN2CCN(c3nsc4ccccc43)CC2)CC[NH2+]C1 ZINC000077516290 406994775 /nfs/dbraw/zinc/99/47/75/406994775.db2.gz MIWZKJLWPFJZBZ-INIZCTEOSA-N 1 0 318.446 1.143 50 0 DDAARO CCn1cc(Br)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000038089367 406998860 /nfs/dbraw/zinc/99/88/60/406998860.db2.gz CTWLLQFKQBQXBZ-VIFPVBQESA-N 1 0 302.216 1.950 50 0 DDAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000084636463 407091429 /nfs/dbraw/zinc/09/14/29/407091429.db2.gz LSTKAHWSIVAWBZ-UONOGXRCSA-N 1 0 323.441 1.903 50 0 DDAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 ZINC000048236433 407092863 /nfs/dbraw/zinc/09/28/63/407092863.db2.gz DOWNRQZWHZMQTQ-QWHCGFSZSA-N 1 0 309.435 1.526 50 0 DDAARO CN(CCN1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000085826517 407105988 /nfs/dbraw/zinc/10/59/88/407105988.db2.gz GYTDKKJMXIOGQV-UHFFFAOYSA-N 1 0 303.450 1.919 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2c(=O)[nH]1 ZINC000046994015 407068264 /nfs/dbraw/zinc/06/82/64/407068264.db2.gz OFGZGTXNZUSYEN-GDBMZVCRSA-N 1 0 311.385 1.885 50 0 DDAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000050246793 407129698 /nfs/dbraw/zinc/12/96/98/407129698.db2.gz WWAKUIOPEZMGJO-VIFPVBQESA-N 1 0 324.324 1.555 50 0 DDAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000050246480 407130092 /nfs/dbraw/zinc/13/00/92/407130092.db2.gz AKMHYKUTCWKBQV-QMMMGPOBSA-N 1 0 309.218 1.963 50 0 DDAARO Cn1cc(CCC[NH+]2CCN(Cc3cccc(O)c3)CC2)cn1 ZINC000089755625 407146777 /nfs/dbraw/zinc/14/67/77/407146777.db2.gz GMVWPNXEVAHVLI-UHFFFAOYSA-N 1 0 314.433 1.876 50 0 DDAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1nnc2ccccn21 ZINC000089802478 407150970 /nfs/dbraw/zinc/15/09/70/407150970.db2.gz JZCKCDSVFOOADI-CYBMUJFWSA-N 1 0 318.425 1.505 50 0 DDAARO Cc1cc2ccccc2n1CC(=O)NCCN1CC[NH+](C)CC1 ZINC000053718108 407172328 /nfs/dbraw/zinc/17/23/28/407172328.db2.gz XMNFMBQBXAVYOD-UHFFFAOYSA-N 1 0 314.433 1.313 50 0 DDAARO C[C@H](CNC(=O)c1ccc(Cl)cc1F)N1CC[NH+](C)CC1 ZINC000096403438 407260011 /nfs/dbraw/zinc/26/00/11/407260011.db2.gz JNBXILVBKVEPAS-LLVKDONJSA-N 1 0 313.804 1.845 50 0 DDAARO Nc1n[nH]c(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000095355839 407207640 /nfs/dbraw/zinc/20/76/40/407207640.db2.gz WYSABKCBFCQLMV-NWDGAFQWSA-N 1 0 306.414 1.048 50 0 DDAARO O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095357604 407207896 /nfs/dbraw/zinc/20/78/96/407207896.db2.gz NFKFQIVIZCLCIY-GDBMZVCRSA-N 1 0 315.417 1.711 50 0 DDAARO COCCC[NH+]1CCN(c2ncnc3nc(C)cc(C)c32)CC1 ZINC000095352748 407208272 /nfs/dbraw/zinc/20/82/72/407208272.db2.gz SMBQUSRSATUJAE-UHFFFAOYSA-N 1 0 315.421 1.800 50 0 DDAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C[NH+]2CCCCCC2)on1 ZINC000095362560 407208965 /nfs/dbraw/zinc/20/89/65/407208965.db2.gz VAKDWLUQRWOIHT-ZBFHGGJFSA-N 1 0 321.421 1.533 50 0 DDAARO CCc1c(C)nn(CCn2cc([C@H]3CCC[NH2+]C3)nn2)c1C ZINC000095376482 407211135 /nfs/dbraw/zinc/21/11/35/407211135.db2.gz DXBRGJPZZFLPPJ-AWEZNQCLSA-N 1 0 302.426 1.821 50 0 DDAARO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000095954923 407216730 /nfs/dbraw/zinc/21/67/30/407216730.db2.gz SFCLQTADJGTGQN-GOEBONIOSA-N 1 0 319.449 1.902 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000057793468 407216918 /nfs/dbraw/zinc/21/69/18/407216918.db2.gz SKQVKKZEYMIORS-LLVKDONJSA-N 1 0 318.377 1.049 50 0 DDAARO Cn1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1=O ZINC000095954097 407217148 /nfs/dbraw/zinc/21/71/48/407217148.db2.gz ZPPYEBUHIDXFEH-MRXNPFEDSA-N 1 0 313.401 1.288 50 0 DDAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000095961658 407217641 /nfs/dbraw/zinc/21/76/41/407217641.db2.gz MIZSNKODKAZPEO-JSGCOSHPSA-N 1 0 314.455 1.338 50 0 DDAARO CC(C)C[C@H]([NH2+][C@@H]1CCSC1)C(=O)N1CCC(CO)CC1 ZINC000095967883 407218691 /nfs/dbraw/zinc/21/86/91/407218691.db2.gz BRIBTGMZJARLOU-CABCVRRESA-N 1 0 314.495 1.727 50 0 DDAARO CC(C)OC(=O)C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1 ZINC000095971663 407218908 /nfs/dbraw/zinc/21/89/08/407218908.db2.gz ZPANXBHZNWLSIM-WMLDXEAASA-N 1 0 322.380 1.887 50 0 DDAARO CCN(CC(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000058341672 407220522 /nfs/dbraw/zinc/22/05/22/407220522.db2.gz BHALKUZNMIEAMA-UHFFFAOYSA-N 1 0 319.449 1.740 50 0 DDAARO C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cn1 ZINC000095994344 407221647 /nfs/dbraw/zinc/22/16/47/407221647.db2.gz DBQOMPJGSSOTPT-CYBMUJFWSA-N 1 0 309.414 1.212 50 0 DDAARO CC(C)C[NH+]1CCC(C(=O)NCCNc2ncccn2)CC1 ZINC000063659168 407234635 /nfs/dbraw/zinc/23/46/35/407234635.db2.gz PELAJHOAQCYRGO-UHFFFAOYSA-N 1 0 305.426 1.373 50 0 DDAARO CC(=O)N1CCC(C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000065465203 407242939 /nfs/dbraw/zinc/24/29/39/407242939.db2.gz SBCGGZLIBCGTQA-UHFFFAOYSA-N 1 0 309.454 1.626 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000065624499 407245171 /nfs/dbraw/zinc/24/51/71/407245171.db2.gz GOLDSPPYARHCHF-HNNXBMFYSA-N 1 0 317.437 1.294 50 0 DDAARO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccn1 ZINC000123347989 407326478 /nfs/dbraw/zinc/32/64/78/407326478.db2.gz UTFMIKQIBPFWOG-STQMWFEESA-N 1 0 316.357 1.901 50 0 DDAARO C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096427693 407265083 /nfs/dbraw/zinc/26/50/83/407265083.db2.gz QCPCBADRPKEHAL-NEPJUHHUSA-N 1 0 301.456 1.035 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000096443459 407267585 /nfs/dbraw/zinc/26/75/85/407267585.db2.gz XNOWSQITMDVGQK-ABNPOPBRSA-N 1 0 310.438 1.368 50 0 DDAARO CC1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000096477310 407270476 /nfs/dbraw/zinc/27/04/76/407270476.db2.gz JYHLGUVQDKPYSO-GFCCVEGCSA-N 1 0 306.497 1.533 50 0 DDAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000096476653 407271005 /nfs/dbraw/zinc/27/10/05/407271005.db2.gz UNGRWRTXEZRWMQ-NSHDSACASA-N 1 0 324.406 1.185 50 0 DDAARO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000096486802 407271267 /nfs/dbraw/zinc/27/12/67/407271267.db2.gz PZRSCOLEMVLVFQ-DOMZBBRYSA-N 1 0 308.426 1.391 50 0 DDAARO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096497182 407273422 /nfs/dbraw/zinc/27/34/22/407273422.db2.gz BGVBGLSEVHRDJI-CHWSQXEVSA-N 1 0 309.414 1.656 50 0 DDAARO Cc1cc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)nc(C)n1 ZINC000097034106 407276202 /nfs/dbraw/zinc/27/62/02/407276202.db2.gz LCNKWSNNNBUYSI-HKUYNNGSSA-N 1 0 324.428 1.874 50 0 DDAARO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)ccc1Cl ZINC000067588798 407277223 /nfs/dbraw/zinc/27/72/23/407277223.db2.gz ZUHCFBFJVLGNKP-JSGCOSHPSA-N 1 0 323.824 1.715 50 0 DDAARO Nc1ncc(C[N@@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)cn1 ZINC000067642162 407278456 /nfs/dbraw/zinc/27/84/56/407278456.db2.gz KFHZIMMIVAZXMI-CYBMUJFWSA-N 1 0 317.437 1.577 50 0 DDAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1=COCCC1 ZINC000097081803 407278834 /nfs/dbraw/zinc/27/88/34/407278834.db2.gz AHKRKZCLTDDZJH-QGZVFWFLSA-N 1 0 316.401 1.564 50 0 DDAARO C[NH+]1CCC(Cc2noc(-c3cnc(C4CC4)[nH]c3=O)n2)CC1 ZINC000067688653 407280804 /nfs/dbraw/zinc/28/08/04/407280804.db2.gz JFQILHMVKUMHHL-UHFFFAOYSA-N 1 0 315.377 1.582 50 0 DDAARO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@H+](C)CC1 ZINC000097109710 407281337 /nfs/dbraw/zinc/28/13/37/407281337.db2.gz ZZUCEOAFUULSCY-CYBMUJFWSA-N 1 0 313.442 1.700 50 0 DDAARO COC(=O)c1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1O ZINC000067740697 407282610 /nfs/dbraw/zinc/28/26/10/407282610.db2.gz ASKDEUXKZLDRFC-KRWDZBQOSA-N 1 0 304.390 1.754 50 0 DDAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncnn1C ZINC000097142566 407282753 /nfs/dbraw/zinc/28/27/53/407282753.db2.gz 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ZINC000067908841 407290370 /nfs/dbraw/zinc/29/03/70/407290370.db2.gz CAMRAEPPWUTPDX-CQSZACIVSA-N 1 0 313.401 1.795 50 0 DDAARO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 ZINC000097373222 407292381 /nfs/dbraw/zinc/29/23/81/407292381.db2.gz XJZSKRMWCGFBKW-SWLSCSKDSA-N 1 0 312.435 1.594 50 0 DDAARO Cn1c(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc2ccccc21 ZINC000097437028 407293662 /nfs/dbraw/zinc/29/36/62/407293662.db2.gz DHDIZVAXYKIYOG-DACLVMHWSA-N 1 0 300.402 1.742 50 0 DDAARO Cn1cc(NC(=O)NC2CC[NH+](C3CCSCC3)CC2)nn1 ZINC000097475038 407298677 /nfs/dbraw/zinc/29/86/77/407298677.db2.gz UDZHBVYZOOBJEQ-UHFFFAOYSA-N 1 0 324.454 1.297 50 0 DDAARO C[N@@H+]1CCN(c2nccc(CCC(F)(F)F)n2)C[C@H]1CCO ZINC000106953858 407367609 /nfs/dbraw/zinc/36/76/09/407367609.db2.gz UXLRGYWWKMXYOP-GFCCVEGCSA-N 1 0 318.343 1.474 50 0 DDAARO O=C(NCC1CC[NH2+]CC1)c1ccn(-c2ccccc2F)n1 ZINC000195542752 407465708 /nfs/dbraw/zinc/46/57/08/407465708.db2.gz SDRRXTPXNCLWFW-UHFFFAOYSA-N 1 0 302.353 1.741 50 0 DDAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000195574179 407467294 /nfs/dbraw/zinc/46/72/94/407467294.db2.gz QXQYLMPSKBTPFD-ILXRZTDVSA-N 1 0 318.483 1.595 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000178565927 407493893 /nfs/dbraw/zinc/49/38/93/407493893.db2.gz POXASRCCDQHXDK-SNVBAGLBSA-N 1 0 315.186 1.938 50 0 DDAARO CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000253419176 407445563 /nfs/dbraw/zinc/44/55/63/407445563.db2.gz KJEVTCQTOTUULF-FZMZJTMJSA-N 1 0 311.451 1.815 50 0 DDAARO O=C(CCc1cnccn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000253427430 407447564 /nfs/dbraw/zinc/44/75/64/407447564.db2.gz APLPQRMQPQXZSR-PBHICJAKSA-N 1 0 314.433 1.885 50 0 DDAARO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1ccsc1 ZINC000170602933 407447726 /nfs/dbraw/zinc/44/77/26/407447726.db2.gz VXCKSPPJOMMBJX-UHFFFAOYSA-N 1 0 309.435 1.421 50 0 DDAARO COC(C[NH+]1CCC(n2cc(Br)cn2)CC1)OC ZINC000253430390 407449297 /nfs/dbraw/zinc/44/92/97/407449297.db2.gz WFQIBGMOTUXIMU-UHFFFAOYSA-N 1 0 318.215 1.901 50 0 DDAARO COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000253473007 407450184 /nfs/dbraw/zinc/45/01/84/407450184.db2.gz QYQHWNGELKKLKR-LBPRGKRZSA-N 1 0 302.334 1.117 50 0 DDAARO NC(=O)c1ccc(/C=C\C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000221821335 407551377 /nfs/dbraw/zinc/55/13/77/407551377.db2.gz YRFYVZQCWVAUEY-WTKPLQERSA-N 1 0 313.401 1.495 50 0 DDAARO C[C@H]([NH2+]CCc1ccc(S(C)(=O)=O)cc1)c1cncn1C ZINC000225386213 407582290 /nfs/dbraw/zinc/58/22/90/407582290.db2.gz QXPOHHPRLFBWDX-LBPRGKRZSA-N 1 0 307.419 1.717 50 0 DDAARO C/C=C(\C)C[N@@H+]1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 ZINC000221230478 407545939 /nfs/dbraw/zinc/54/59/39/407545939.db2.gz YLYWGGNHKUDJOT-UEIWYUPXSA-N 1 0 315.421 1.870 50 0 DDAARO COc1cc(OC)c2ncnc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000225713646 407599899 /nfs/dbraw/zinc/59/98/99/407599899.db2.gz NKALCECHWCYJSH-UHFFFAOYSA-N 1 0 314.389 1.931 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2C)CC1 ZINC000229310385 407658131 /nfs/dbraw/zinc/65/81/31/407658131.db2.gz ZXDFVPCGMNTHHO-QFBILLFUSA-N 1 0 315.461 1.714 50 0 DDAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C(N)=O)c2ccccc2)cn1 ZINC000229912016 407676199 /nfs/dbraw/zinc/67/61/99/407676199.db2.gz LDQZMJMJVIWPSX-NUEKZKHPSA-N 1 0 314.389 1.314 50 0 DDAARO c1ccc(N(CCN2CCOCC2)CC2CC[NH2+]CC2)cc1 ZINC000178978566 407680813 /nfs/dbraw/zinc/68/08/13/407680813.db2.gz CGULTOROSOBIOQ-UHFFFAOYSA-N 1 0 303.450 1.825 50 0 DDAARO COc1c([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c(C)nn1C ZINC000229535236 407664573 /nfs/dbraw/zinc/66/45/73/407664573.db2.gz GZBJFMDFFJSZKI-ZIAGYGMSSA-N 1 0 319.409 1.132 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000237458309 407821807 /nfs/dbraw/zinc/82/18/07/407821807.db2.gz GHHVMMYUAXJZAJ-WPRPVWTQSA-N 1 0 318.830 1.208 50 0 DDAARO O=C(NCCc1ncc[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172991634 407857926 /nfs/dbraw/zinc/85/79/26/407857926.db2.gz DDJDQJAZZGJZDY-INIZCTEOSA-N 1 0 312.417 1.981 50 0 DDAARO O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccc(-n2cccn2)c1 ZINC000239654484 407905040 /nfs/dbraw/zinc/90/50/40/407905040.db2.gz BNYSVRDBMIBVDH-CQSZACIVSA-N 1 0 316.430 1.584 50 0 DDAARO C[N@H+](CCC(=O)NCc1ccccc1F)C[C@H]1COCCO1 ZINC000243915047 407921532 /nfs/dbraw/zinc/92/15/32/407921532.db2.gz BMEINCFXIMEWGX-AWEZNQCLSA-N 1 0 310.369 1.179 50 0 DDAARO COc1nc(C)cc(C)c1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000244690902 407931817 /nfs/dbraw/zinc/93/18/17/407931817.db2.gz IZCCMLMUHCHYEM-KGLIPLIRSA-N 1 0 303.406 1.808 50 0 DDAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000244734430 407934313 /nfs/dbraw/zinc/93/43/13/407934313.db2.gz NFGALHWKAAHCPG-CQSZACIVSA-N 1 0 300.406 1.888 50 0 DDAARO Nc1nc(NCCn2nnc3ccccc32)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244788037 407939474 /nfs/dbraw/zinc/93/94/74/407939474.db2.gz QIBSNYKJKVHVTE-XYPYZODXSA-N 1 0 324.392 1.120 50 0 DDAARO c1ncn(C2CCCCC2)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000244852610 407940656 /nfs/dbraw/zinc/94/06/56/407940656.db2.gz UVQZIPONZHQTGM-QGZVFWFLSA-N 1 0 317.481 1.868 50 0 DDAARO CO[C@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000244874646 407942609 /nfs/dbraw/zinc/94/26/09/407942609.db2.gz XEWGLZQFSKAHEH-SFHVURJKSA-N 1 0 303.450 1.919 50 0 DDAARO CCOc1ccnc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)n1 ZINC000189197008 408002368 /nfs/dbraw/zinc/00/23/68/408002368.db2.gz KBZABMHOIFNPDL-AWEZNQCLSA-N 1 0 306.410 1.566 50 0 DDAARO Cc1nc(C)n(-c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2)n1 ZINC000154269284 408005862 /nfs/dbraw/zinc/00/58/62/408005862.db2.gz PJAOALHOHJQKSZ-VXGBXAGGSA-N 1 0 313.405 1.707 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2cncn2)CC1 ZINC000246837891 408351270 /nfs/dbraw/zinc/35/12/70/408351270.db2.gz STVFVWMALGAGOO-CFVMTHIKSA-N 1 0 303.410 1.362 50 0 DDAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000248082529 408535347 /nfs/dbraw/zinc/53/53/47/408535347.db2.gz APFXFVVMAXHYED-JHNDHUHGSA-N 1 0 322.453 1.027 50 0 DDAARO CC(C)NS(=O)(=O)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161947510 408652252 /nfs/dbraw/zinc/65/22/52/408652252.db2.gz PVIHBLIJKIEFMM-HNNXBMFYSA-N 1 0 317.499 1.265 50 0 DDAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCSCc2ccccc2)C1 ZINC000252485063 408796577 /nfs/dbraw/zinc/79/65/77/408796577.db2.gz GNDDFGUIWCBNLL-INIZCTEOSA-N 1 0 321.490 1.672 50 0 DDAARO NC(=O)c1ccc(OCCC[NH+]2CCC3(CCO3)CC2)cc1 ZINC000252487009 408798122 /nfs/dbraw/zinc/79/81/22/408798122.db2.gz HQJNKFVRTUSMQD-UHFFFAOYSA-N 1 0 304.390 1.809 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C(=O)NC1CC1 ZINC000253395291 408813417 /nfs/dbraw/zinc/81/34/17/408813417.db2.gz AJGSNQLRLRUUPE-DOTOQJQBSA-N 1 0 302.418 1.968 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1C(F)(F)F ZINC000058161938 287046237 /nfs/dbraw/zinc/04/62/37/287046237.db2.gz QVASDNPWTGIFGK-SFYZADRCSA-N 1 0 303.284 1.939 50 0 DDAARO CCCc1n[nH]cc1C(=O)N(C)C[C@H]1CC[N@H+](CCOC)C1 ZINC000299755933 410608187 /nfs/dbraw/zinc/60/81/87/410608187.db2.gz AMGWGBNTASIVEU-CYBMUJFWSA-N 1 0 308.426 1.403 50 0 DDAARO COc1cccc(C(=O)N2CCCO[C@@H](C)C2)c1OCCC[NH3+] ZINC000299770237 410613602 /nfs/dbraw/zinc/61/36/02/410613602.db2.gz QDYLUZAHAWITCG-ZDUSSCGKSA-N 1 0 322.405 1.674 50 0 DDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000299774933 410619067 /nfs/dbraw/zinc/61/90/67/410619067.db2.gz JGDVGABZWZHYOD-KBPBESRZSA-N 1 0 318.373 1.398 50 0 DDAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NCCc1cn[nH]n1 ZINC000299778266 410620303 /nfs/dbraw/zinc/62/03/03/410620303.db2.gz MHRLALNUWBAJFI-UHFFFAOYSA-N 1 0 323.784 1.158 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1c(C)nc2cc(C)ccn21 ZINC000299789636 410630081 /nfs/dbraw/zinc/63/00/81/410630081.db2.gz ZZIRNBCOIXBLJM-KBPBESRZSA-N 1 0 316.405 1.400 50 0 DDAARO O=C(Cn1cccn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048234284 418466233 /nfs/dbraw/zinc/46/62/33/418466233.db2.gz IEYYXFYVWPKKNX-CYBMUJFWSA-N 1 0 304.419 1.898 50 0 DDAARO O=C(NCC[NH+]1CCCC1)NCc1ccc2c(c1)OCCO2 ZINC000048253467 418466541 /nfs/dbraw/zinc/46/65/41/418466541.db2.gz PZYAYPOYDZJGSZ-UHFFFAOYSA-N 1 0 305.378 1.353 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000046997926 418451914 /nfs/dbraw/zinc/45/19/14/418451914.db2.gz QFEMQXOKUOCPPH-JKSUJKDBSA-N 1 0 311.389 1.624 50 0 DDAARO O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000107319608 418498038 /nfs/dbraw/zinc/49/80/38/418498038.db2.gz OTYVDVJFAVFVSZ-HOTGVXAUSA-N 1 0 316.401 1.143 50 0 DDAARO O=C([C@@H]1C[C@@H]1c1ccco1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000107321038 418498081 /nfs/dbraw/zinc/49/80/81/418498081.db2.gz PDBHCXKDXSEVFK-GBJTYRQASA-N 1 0 304.390 1.441 50 0 DDAARO COC(=O)C1(C[NH2+]Cc2cccc3c[nH]nc32)CCOCC1 ZINC000170076340 418517748 /nfs/dbraw/zinc/51/77/48/418517748.db2.gz KZSGBEFIGYTVHH-UHFFFAOYSA-N 1 0 303.362 1.622 50 0 DDAARO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000252498253 222245623 /nfs/dbraw/zinc/24/56/23/222245623.db2.gz WXJSTLUCBYCCHE-IHRRRGAJSA-N 1 0 304.394 1.305 50 0 DDAARO Cc1cc(=O)c(C(=O)NCC2CC[NH+](CC(C)C)CC2)cn1C ZINC000426477693 419480916 /nfs/dbraw/zinc/48/09/16/419480916.db2.gz HGJOGBKCTNWWQX-UHFFFAOYSA-N 1 0 319.449 1.792 50 0 DDAARO Cc1nnc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)s1 ZINC000426388336 228565901 /nfs/dbraw/zinc/56/59/01/228565901.db2.gz AXPQQKXKLPHZDZ-SECBINFHSA-N 1 0 310.452 1.734 50 0 DDAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCc1cccnc1 ZINC000426510106 419494694 /nfs/dbraw/zinc/49/46/94/419494694.db2.gz JXHIISRCMUGTPS-OAHLLOKOSA-N 1 0 313.405 1.104 50 0 DDAARO COCCc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cn1 ZINC000426541182 419503648 /nfs/dbraw/zinc/50/36/48/419503648.db2.gz AHZALJQRRZEOSP-HLLBOEOZSA-N 1 0 321.421 1.170 50 0 DDAARO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@H](n3ccnn3)C2)C1=O ZINC000583651391 422210374 /nfs/dbraw/zinc/21/03/74/422210374.db2.gz MGAZQYBWGAPJAQ-UONOGXRCSA-N 1 0 305.426 1.562 50 0 DDAARO CN(C)C(=O)N1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095517458 276755083 /nfs/dbraw/zinc/75/50/83/276755083.db2.gz KDHPHTDQTOVLFL-HNNXBMFYSA-N 1 0 317.433 1.927 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072168078 276809629 /nfs/dbraw/zinc/80/96/29/276809629.db2.gz WWSJCPQFWCAMCR-OAHLLOKOSA-N 1 0 307.419 1.758 50 0 DDAARO C[N@@H+]1CCCN(C(=O)Nc2cccc(OCC(F)F)n2)CC1 ZINC000097378801 277048384 /nfs/dbraw/zinc/04/83/84/277048384.db2.gz WLCKLPXLFBZFPJ-UHFFFAOYSA-N 1 0 314.336 1.895 50 0 DDAARO CN1CCN2CC[N@H+](Cc3cccc4cnccc43)C[C@H]2C1=O ZINC000106697178 277115485 /nfs/dbraw/zinc/11/54/85/277115485.db2.gz ORWQZBVKWIZNMD-KRWDZBQOSA-N 1 0 310.401 1.193 50 0 DDAARO COCCn1cncc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299774067 277243353 /nfs/dbraw/zinc/24/33/53/277243353.db2.gz FSKMAGRILLVPFV-OWCLPIDISA-N 1 0 309.410 1.034 50 0 DDAARO CC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022685230 278129240 /nfs/dbraw/zinc/12/92/40/278129240.db2.gz CYZUBPGVFKPASD-XJKSGUPXSA-N 1 0 303.406 1.464 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C[C@H]1[NH+](C)C ZINC000107503989 288047148 /nfs/dbraw/zinc/04/71/48/288047148.db2.gz YHVKIBNICNCMPC-UHIISALHSA-N 1 0 317.389 1.428 50 0 DDAARO CC[C@@H]1CN(C(=O)C[NH2+][C@H](C)[C@H](C)n2cc(C)cn2)CCO1 ZINC000106845590 280350055 /nfs/dbraw/zinc/35/00/55/280350055.db2.gz NTYZBCKXELNEBQ-QLFBSQMISA-N 1 0 308.426 1.368 50 0 DDAARO Cc1ccccc1NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058342282 281352006 /nfs/dbraw/zinc/35/20/06/281352006.db2.gz OTUXIGDISVGQPP-GFCCVEGCSA-N 1 0 304.394 1.455 50 0 DDAARO Cc1cc(C)nc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000097142883 301263887 /nfs/dbraw/zinc/26/38/87/301263887.db2.gz RXLVHVAAFHMEMG-AWEZNQCLSA-N 1 0 319.453 1.703 50 0 DDAARO Cn1cc([C@H]([NH2+]C[C@@H](O)C(F)(F)F)C2(CO)CCC2)cn1 ZINC000408522936 302933173 /nfs/dbraw/zinc/93/31/73/302933173.db2.gz FFVLILZUIHCSAP-MNOVXSKESA-N 1 0 307.316 1.137 50 0 DDAARO Cn1cccc1[C@H]1COCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000097144102 302984518 /nfs/dbraw/zinc/98/45/18/302984518.db2.gz ZISVTBINNVFTCS-MRXNPFEDSA-N 1 0 310.357 1.887 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000044556891 303396386 /nfs/dbraw/zinc/39/63/86/303396386.db2.gz VQCOCQRBFDYNHF-VIFPVBQESA-N 1 0 306.790 1.981 50 0 DDAARO CC1=NO[C@H](C(=O)NCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000534659727 334315516 /nfs/dbraw/zinc/31/55/16/334315516.db2.gz WJVURCBJFVEDDX-INIZCTEOSA-N 1 0 322.453 1.074 50 0 DDAARO O=C(NC[C@@]1(O)CCSC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000304702202 337383756 /nfs/dbraw/zinc/38/37/56/337383756.db2.gz JTXKJBFRASCWTD-BBRMVZONSA-N 1 0 312.479 1.625 50 0 DDAARO Cc1cccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000084210703 483991669 /nfs/dbraw/zinc/99/16/69/483991669.db2.gz SYZXJUYGRIEEPH-IRXDYDNUSA-N 1 0 302.418 1.595 50 0 DDAARO Cc1cc2nc(C(=O)NCc3cncn3C3CC3)cc(C)n2n1 ZINC000670469586 484848621 /nfs/dbraw/zinc/84/86/21/484848621.db2.gz CPFAUINDSQOUJE-UHFFFAOYSA-N 1 0 310.361 1.808 50 0 DDAARO CCOCc1cc(CN(C)C[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OC ZINC000328599213 529032014 /nfs/dbraw/zinc/03/20/14/529032014.db2.gz QQEDJZBVTVAIHB-JKSUJKDBSA-N 1 0 308.422 1.386 50 0 DDAARO C[N@H+](CCCOc1ccccc1)CC(=O)NC(=O)NC1CC1 ZINC000029853292 545643063 /nfs/dbraw/zinc/64/30/63/545643063.db2.gz JTJRDCIJACLLCP-UHFFFAOYSA-N 1 0 305.378 1.376 50 0 DDAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](CC(C)C)CC2 ZINC000012281577 696049358 /nfs/dbraw/zinc/04/93/58/696049358.db2.gz PMZJLRNYRPEPOZ-ZDUSSCGKSA-N 1 0 307.442 1.455 50 0 DDAARO C[NH+](C)CC[C@H]1CN(C(=O)CSc2ccccc2)CCO1 ZINC000012387598 696049760 /nfs/dbraw/zinc/04/97/60/696049760.db2.gz GPZZVGHZAZHUEB-AWEZNQCLSA-N 1 0 308.447 1.958 50 0 DDAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[N@@H+]1CCCOCC1 ZINC000012454099 696050051 /nfs/dbraw/zinc/05/00/51/696050051.db2.gz SFKTVOJEMYWVDD-SFHVURJKSA-N 1 0 324.465 1.643 50 0 DDAARO CC(C)CC[N@@H+]1CCN(CCCn2cccn2)C[C@@H]1CCO ZINC000020451523 696070797 /nfs/dbraw/zinc/07/07/97/696070797.db2.gz LGBGESRKVMBRNG-KRWDZBQOSA-N 1 0 308.470 1.688 50 0 DDAARO Cn1ncc2c1nc(C1CCCC1)nc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000072170396 696393641 /nfs/dbraw/zinc/39/36/41/696393641.db2.gz SOUFZFJPZHCAQL-BETUJISGSA-N 1 0 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C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cccnc1N(C)C ZINC000585085001 771932868 /nfs/dbraw/zinc/93/28/68/771932868.db2.gz GJCOJFAKOGSTJR-GDBMZVCRSA-N 1 0 304.438 1.443 50 0 DDAARO CC[C@H]1C(=O)NCC[N@H+]1CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000585117417 771951609 /nfs/dbraw/zinc/95/16/09/771951609.db2.gz BVVPVLVRMSTTRF-ZDUSSCGKSA-N 1 0 311.426 1.454 50 0 DDAARO Cn1cc(/C=C\C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cn1 ZINC000952881804 775637122 /nfs/dbraw/zinc/63/71/22/775637122.db2.gz DBBGXBXXDBWFMG-QWPQOLDESA-N 1 0 310.401 1.476 50 0 DDAARO COCCCN(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952883423 775642735 /nfs/dbraw/zinc/64/27/35/775642735.db2.gz ZKQLBHWPZGAFGK-SNVBAGLBSA-N 1 0 306.332 1.871 50 0 DDAARO CSCCc1nc([C@@H]2CCOC2)n(C2CC[NH+](C)CC2)n1 ZINC000095522500 185377341 /nfs/dbraw/zinc/37/73/41/185377341.db2.gz WBJDRSNYOCLLBA-GFCCVEGCSA-N 1 0 310.467 1.954 50 0 DDAARO CSCCc1nc([C@H]2CCOC2)n(C2CC[NH+](C)CC2)n1 ZINC000095522501 185377552 /nfs/dbraw/zinc/37/75/52/185377552.db2.gz WBJDRSNYOCLLBA-LBPRGKRZSA-N 1 0 310.467 1.954 50 0 DDAARO CCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095529331 185378692 /nfs/dbraw/zinc/37/86/92/185378692.db2.gz RSXPXHTVJPUIFW-OAHLLOKOSA-N 1 0 304.438 1.999 50 0 DDAARO CC(C)Cc1ccc(C[NH2+]C2CCN(CC(N)=O)CC2)cc1 ZINC000088296608 185244973 /nfs/dbraw/zinc/24/49/73/185244973.db2.gz BDZNTOHPRCBDLS-UHFFFAOYSA-N 1 0 303.450 1.924 50 0 DDAARO CCOC(=O)c1cc(NC(=O)NCCC[NH+]2CCCC2)cn1C ZINC000089984842 185274601 /nfs/dbraw/zinc/27/46/01/185274601.db2.gz YVTGUSGHSRROPA-UHFFFAOYSA-N 1 0 322.409 1.809 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000254958328 282220911 /nfs/dbraw/zinc/22/09/11/282220911.db2.gz NRBQTSAWTOGIRJ-MFBWXBCUSA-N 1 0 302.374 1.539 50 0 DDAARO Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCC[C@H]([NH3+])C1 ZINC000082137585 192360159 /nfs/dbraw/zinc/36/01/59/192360159.db2.gz QVXYGJWFPTYXMA-AWEZNQCLSA-N 1 0 311.389 1.800 50 0 DDAARO Cc1ccc(C[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)nc1 ZINC000095416647 185359028 /nfs/dbraw/zinc/35/90/28/185359028.db2.gz 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/nfs/dbraw/zinc/02/27/11/191022711.db2.gz VOJAJOOZBWWKSW-ZJUUUORDSA-N 1 0 304.316 1.665 50 0 DDAARO CCn1c(CC2CC[NH+](Cc3ccccn3)CC2)n[nH]c1=O ZINC000071771119 191030391 /nfs/dbraw/zinc/03/03/91/191030391.db2.gz SKLYVCGUBNUHQS-UHFFFAOYSA-N 1 0 301.394 1.441 50 0 DDAARO COc1ccccc1OCCC[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000072121028 191040630 /nfs/dbraw/zinc/04/06/30/191040630.db2.gz YZRMMQDGNVBQJT-KRWDZBQOSA-N 1 0 309.406 1.673 50 0 DDAARO C[N@H+](Cc1ccc2c(c1)OCCO2)CC1(CO)CCOCC1 ZINC000072150934 191056106 /nfs/dbraw/zinc/05/61/06/191056106.db2.gz NDQBMBQNPBQBCP-UHFFFAOYSA-N 1 0 307.390 1.679 50 0 DDAARO Cc1ccc(-c2nc(CN3CC[C@@](O)(C[NH+](C)C)C3)no2)cc1 ZINC000072151272 191056184 /nfs/dbraw/zinc/05/61/84/191056184.db2.gz NGPLTSJWKDYMLF-QGZVFWFLSA-N 1 0 316.405 1.543 50 0 DDAARO CCOc1ccccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072156260 191059410 /nfs/dbraw/zinc/05/94/10/191059410.db2.gz SFFKSFSBQHZYKA-KRWDZBQOSA-N 1 0 306.406 1.614 50 0 DDAARO Cc1nc2ccc(C(=O)NC[C@@]3(O)CCC[NH2+]CC3)cc2s1 ZINC000072163893 191063895 /nfs/dbraw/zinc/06/38/95/191063895.db2.gz OEJFBCHJEAZELY-MRXNPFEDSA-N 1 0 319.430 1.839 50 0 DDAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccco1 ZINC000072238387 191081353 /nfs/dbraw/zinc/08/13/53/191081353.db2.gz ZDXFUTHKOXVSFW-HNNXBMFYSA-N 1 0 321.421 1.619 50 0 DDAARO C[NH+](C)C[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000072267647 191091025 /nfs/dbraw/zinc/09/10/25/191091025.db2.gz TUKCVHMKCUSURK-MRXNPFEDSA-N 1 0 301.394 1.030 50 0 DDAARO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2nsnc21 ZINC000225582726 186279575 /nfs/dbraw/zinc/27/95/75/186279575.db2.gz ZJBHMXOURSMCDM-SECBINFHSA-N 1 0 314.436 1.310 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C ZINC000280074760 215356202 /nfs/dbraw/zinc/35/62/02/215356202.db2.gz JCBBMXXWMRVPDC-CHWSQXEVSA-N 1 0 316.405 1.019 50 0 DDAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1C ZINC000072411224 191154336 /nfs/dbraw/zinc/15/43/36/191154336.db2.gz XQOBGUGVJXAWBK-OAHLLOKOSA-N 1 0 314.437 1.651 50 0 DDAARO C[C@H](C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)[NH+]1CCCC1 ZINC000072433476 191163817 /nfs/dbraw/zinc/16/38/17/191163817.db2.gz UYKWXSGJGYUACI-CQSZACIVSA-N 1 0 317.433 1.722 50 0 DDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3nc(C)cs3)CC[C@H]21 ZINC000072477398 191179331 /nfs/dbraw/zinc/17/93/31/191179331.db2.gz FZGMWIPWCHBKST-UONOGXRCSA-N 1 0 322.478 1.484 50 0 DDAARO O=C(c1cc2ccccc2[nH]c1=O)N1CC[NH+](CC2CC2)CC1 ZINC000071821589 353193341 /nfs/dbraw/zinc/19/33/41/353193341.db2.gz XBHJRVRCVYQEFL-UHFFFAOYSA-N 1 0 311.385 1.696 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(=O)[nH]1 ZINC000075121740 353348950 /nfs/dbraw/zinc/34/89/50/353348950.db2.gz QAMOWVQNJCXDHB-OAHLLOKOSA-N 1 0 317.364 1.855 50 0 DDAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2ncccn2)C1 ZINC000075128163 353349656 /nfs/dbraw/zinc/34/96/56/353349656.db2.gz YRSCVQZXQMWERE-AWEZNQCLSA-N 1 0 320.441 1.308 50 0 DDAARO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCc3cccs3)C2)C1=O ZINC000089914258 353782903 /nfs/dbraw/zinc/78/29/03/353782903.db2.gz 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ZINC000126452057 407414131 /nfs/dbraw/zinc/41/41/31/407414131.db2.gz XHWNZOJFGQPACC-XJKSGUPXSA-N 1 0 304.390 1.678 50 0 DDAARO CC1(C)CN(c2ccc(C(F)(F)F)cn2)CC[N@@H+]1CCO ZINC000195571731 407468804 /nfs/dbraw/zinc/46/88/04/407468804.db2.gz JHXKHBDQFMPOCU-UHFFFAOYSA-N 1 0 303.328 1.993 50 0 DDAARO CCn1ncnc1CN1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000215570567 407486428 /nfs/dbraw/zinc/48/64/28/407486428.db2.gz LEEBSXNFLCOLJR-CQSZACIVSA-N 1 0 307.442 1.231 50 0 DDAARO CC[C@@H](CO)N1CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC000170596447 407444976 /nfs/dbraw/zinc/44/49/76/407444976.db2.gz HTHGHJLOBYDZSH-INIZCTEOSA-N 1 0 306.526 1.530 50 0 DDAARO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000253418818 407446270 /nfs/dbraw/zinc/44/62/70/407446270.db2.gz ADMWKJOXPVPHTP-CYBMUJFWSA-N 1 0 317.433 1.960 50 0 DDAARO CC(C)OC[C@@H](O)CSCC[N@H+](C)C[C@H](O)COC(C)C ZINC000253431806 407450363 /nfs/dbraw/zinc/45/03/63/407450363.db2.gz XNPYNMBRABZBKU-LSDHHAIUSA-N 1 0 323.499 1.223 50 0 DDAARO Cn1ccnc1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265801266 407458706 /nfs/dbraw/zinc/45/87/06/407458706.db2.gz YVNFLXYAQVUNSJ-UHFFFAOYSA-N 1 0 305.426 1.580 50 0 DDAARO COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000222244493 407554015 /nfs/dbraw/zinc/55/40/15/407554015.db2.gz BVIDUWXYAYNICR-GDBMZVCRSA-N 1 0 306.406 1.403 50 0 DDAARO CC(C)([NH2+]C[C@@H](O)COc1ccccc1)C(=O)N1CCCC1 ZINC000225471677 407588298 /nfs/dbraw/zinc/58/82/98/407588298.db2.gz WAPIQVNHYDGCKA-CQSZACIVSA-N 1 0 306.406 1.417 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000225478446 407589873 /nfs/dbraw/zinc/58/98/73/407589873.db2.gz COZGRNVGLKAZTP-IUCAKERBSA-N 1 0 322.352 1.852 50 0 DDAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC000220044491 407538750 /nfs/dbraw/zinc/53/87/50/407538750.db2.gz XIRVRBOURCRZGT-SMDDNHRTSA-N 1 0 314.788 1.864 50 0 DDAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCOCC1 ZINC000130062565 407648881 /nfs/dbraw/zinc/64/88/81/407648881.db2.gz 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407914415 /nfs/dbraw/zinc/91/44/15/407914415.db2.gz LBFXUNXFKBVIPO-BETUJISGSA-N 1 0 315.417 1.713 50 0 DDAARO CC(C)c1nnsc1CN1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000244795730 407939204 /nfs/dbraw/zinc/93/92/04/407939204.db2.gz RMPNCOBYWWKAJO-AWEZNQCLSA-N 1 0 324.494 1.940 50 0 DDAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000244840297 407941767 /nfs/dbraw/zinc/94/17/67/407941767.db2.gz UKONOXNSIJPHAJ-CQSZACIVSA-N 1 0 306.410 1.084 50 0 DDAARO CSc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000244874185 407941929 /nfs/dbraw/zinc/94/19/29/407941929.db2.gz WWECUUAXAZVIDL-AWEZNQCLSA-N 1 0 305.447 1.528 50 0 DDAARO C[C@H](C(=O)Nc1ccccn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000244900031 407943687 /nfs/dbraw/zinc/94/36/87/407943687.db2.gz ZUWPTMPKWLMZJK-CQSZACIVSA-N 1 0 318.421 1.205 50 0 DDAARO C[C@]1(O)CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175439459 408131671 /nfs/dbraw/zinc/13/16/71/408131671.db2.gz BROZDDVBNIWUHP-SFHVURJKSA-N 1 0 317.433 1.817 50 0 DDAARO COc1ccsc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000269647416 408374573 /nfs/dbraw/zinc/37/45/73/408374573.db2.gz PMEHPNZFCNXTCD-VHSXEESVSA-N 1 0 304.437 1.505 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CN(C)c1cnccn1 ZINC000248036353 408528727 /nfs/dbraw/zinc/52/87/27/408528727.db2.gz UVTRYOBEUOWXGH-HUUCEWRRSA-N 1 0 317.437 1.388 50 0 DDAARO C[C@@H](c1nnnn1C1CC1)N1CCSC2(CCOCC2)C1 ZINC000192193179 408555631 /nfs/dbraw/zinc/55/56/31/408555631.db2.gz AYLKAQXJJKFLBW-NSHDSACASA-N 1 0 309.439 1.667 50 0 DDAARO CCOc1ccc(CC(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1 ZINC000253412124 408814650 /nfs/dbraw/zinc/81/46/50/408814650.db2.gz PYQLEJUJGASAEP-GOEBONIOSA-N 1 0 306.406 1.009 50 0 DDAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252512312 408804160 /nfs/dbraw/zinc/80/41/60/408804160.db2.gz PGOHDOVLUITIGP-XJFOESAGSA-N 1 0 316.467 1.237 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C(=O)N(C)C ZINC000253398614 408814920 /nfs/dbraw/zinc/81/49/20/408814920.db2.gz CFDKGEKRGVWTIS-GOEBONIOSA-N 1 0 306.406 1.478 50 0 DDAARO Cn1cc(N2CCN(CC[C@H](O)c3ccccc3)CC2=O)cn1 ZINC000290292117 409350458 /nfs/dbraw/zinc/35/04/58/409350458.db2.gz MYPGJDJLLICCAG-INIZCTEOSA-N 1 0 314.389 1.192 50 0 DDAARO CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000299764969 410610728 /nfs/dbraw/zinc/61/07/28/410610728.db2.gz WPMRWVYUGOKUQB-LLVKDONJSA-N 1 0 304.369 1.703 50 0 DDAARO C[N@@H+]1CCCC2(CCN(C(=O)c3cccn4cnnc34)CC2)C1 ZINC000299760658 410611226 /nfs/dbraw/zinc/61/12/26/410611226.db2.gz WJXMIYXLOHJHCB-UHFFFAOYSA-N 1 0 313.405 1.677 50 0 DDAARO CC[NH+](CC)Cc1cccc(NC(=O)N2CC[C@@](O)(CO)C2)c1 ZINC000299780050 410621922 /nfs/dbraw/zinc/62/19/22/410621922.db2.gz IBKYUTFIHMQAGN-KRWDZBQOSA-N 1 0 321.421 1.489 50 0 DDAARO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000132685913 196275869 /nfs/dbraw/zinc/27/58/69/196275869.db2.gz FJWOGYKYWBAIPZ-SECBINFHSA-N 1 0 316.810 1.307 50 0 DDAARO COCCn1cc(NC(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000048251821 418466874 /nfs/dbraw/zinc/46/68/74/418466874.db2.gz OOGZONBEFOAHBZ-KBPBESRZSA-N 1 0 323.441 1.629 50 0 DDAARO CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCCN(C)C1 ZINC000046087375 418444810 /nfs/dbraw/zinc/44/48/10/418444810.db2.gz SSGBBCYSZQECOP-GOSISDBHSA-N 1 0 320.433 1.736 50 0 DDAARO Cc1ccsc1C(=O)NCCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000046820061 418450034 /nfs/dbraw/zinc/45/00/34/418450034.db2.gz QKDHMSFGBWWYNY-UHFFFAOYSA-N 1 0 323.462 1.729 50 0 DDAARO C[C@@H]1CN(C(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CCO1 ZINC000170076980 418517878 /nfs/dbraw/zinc/51/78/78/418517878.db2.gz GNIGZYJBKDBIBO-RHSMWYFYSA-N 1 0 302.418 1.845 50 0 DDAARO CCc1cnc(CN(C)[C@@H]2CCN([C@H]3C[C@H](C)OC3=O)C2)o1 ZINC000257366418 418568509 /nfs/dbraw/zinc/56/85/09/418568509.db2.gz XNGYDVVPUPKDEH-SCRDCRAPSA-N 1 0 307.394 1.447 50 0 DDAARO CC(C)c1nc2c(cnn2C)c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000244873247 222213329 /nfs/dbraw/zinc/21/33/29/222213329.db2.gz WMNUVQOYHCQHPW-LBPRGKRZSA-N 1 0 300.410 1.771 50 0 DDAARO C[N@@H+]1CCN2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC000244718928 222213523 /nfs/dbraw/zinc/21/35/23/222213523.db2.gz LTMLVTJQSWEFDC-GOSISDBHSA-N 1 0 311.433 1.304 50 0 DDAARO Cc1cc(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)ccn1 ZINC000391241265 418756150 /nfs/dbraw/zinc/75/61/50/418756150.db2.gz HZFAWLRMYCMHLI-INIZCTEOSA-N 1 0 302.422 1.223 50 0 DDAARO C[N@H+](CCCc1ccccc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000408523761 418809232 /nfs/dbraw/zinc/80/92/32/418809232.db2.gz MZLZTQBUGAMQTQ-LJQANCHMSA-N 1 0 312.413 1.924 50 0 DDAARO C[C@@](O)(CN1CCN(c2cc(F)ncn2)CC1)C(F)(F)F ZINC000408524555 418809286 /nfs/dbraw/zinc/80/92/86/418809286.db2.gz VOPXOFQAOCZQQA-LLVKDONJSA-N 1 0 308.279 1.051 50 0 DDAARO COCc1nc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)no1 ZINC000426438925 419472416 /nfs/dbraw/zinc/47/24/16/419472416.db2.gz SAVFJEOWGCGMSN-VIFPVBQESA-N 1 0 324.410 1.104 50 0 DDAARO Cc1nnc([C@H](C)NC(=O)N2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000426443112 419473281 /nfs/dbraw/zinc/47/32/81/419473281.db2.gz XQHGOHOJXQNHIK-LBPRGKRZSA-N 1 0 320.441 1.834 50 0 DDAARO CCn1ccc(CSc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000426662220 419528283 /nfs/dbraw/zinc/52/82/83/419528283.db2.gz MYYWCHIYKAIMEV-UHFFFAOYSA-N 1 0 306.439 1.791 50 0 DDAARO Cc1nc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000426517717 228581343 /nfs/dbraw/zinc/58/13/43/228581343.db2.gz ZOKZPCBXOUVNJI-UHFFFAOYSA-N 1 0 324.450 1.458 50 0 DDAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000299741222 229377867 /nfs/dbraw/zinc/37/78/67/229377867.db2.gz DVAMDOWJQGMBRQ-RYUDHWBXSA-N 1 0 303.189 1.895 50 0 DDAARO O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299750319 229393590 /nfs/dbraw/zinc/39/35/90/229393590.db2.gz NAWDEHAPDPSDHZ-ONGXEEELSA-N 1 0 306.259 1.184 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000493555976 420880792 /nfs/dbraw/zinc/88/07/92/420880792.db2.gz OIHLAOQJOBLWNP-PEVLQBLXSA-N 1 0 301.390 1.398 50 0 DDAARO COc1ccccc1[C@H](C)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000630339455 422031985 /nfs/dbraw/zinc/03/19/85/422031985.db2.gz OZXABYIFBOATSO-UONOGXRCSA-N 1 0 309.406 1.638 50 0 DDAARO CN(C)[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccsc1 ZINC000058326348 276864944 /nfs/dbraw/zinc/86/49/44/276864944.db2.gz XGXPJIVDGYLXRM-TZMCWYRMSA-N 1 0 305.451 1.879 50 0 DDAARO COC(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000066188741 277070921 /nfs/dbraw/zinc/07/09/21/277070921.db2.gz VLCLECQBPSOQRG-AWEZNQCLSA-N 1 0 324.425 1.097 50 0 DDAARO COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@@H]2C[NH3+])n1 ZINC000237212238 277406176 /nfs/dbraw/zinc/40/61/76/277406176.db2.gz LNPQLUNSONRNAI-CYBMUJFWSA-N 1 0 314.389 1.753 50 0 DDAARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc2ncccc21 ZINC000097229348 279141955 /nfs/dbraw/zinc/14/19/55/279141955.db2.gz WLONVCNBOZGTTQ-GFCCVEGCSA-N 1 0 307.419 1.887 50 0 DDAARO C[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000299772049 280152860 /nfs/dbraw/zinc/15/28/60/280152860.db2.gz XGOYAMQGQULFSJ-MRXNPFEDSA-N 1 0 305.353 1.636 50 0 DDAARO 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CNC(=O)c1ccc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000253378494 186302554 /nfs/dbraw/zinc/30/25/54/186302554.db2.gz GOZFNTRWFJWASN-CQSZACIVSA-N 1 0 317.433 1.927 50 0 DDAARO O=C(CCc1ccccc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072268937 353196003 /nfs/dbraw/zinc/19/60/03/353196003.db2.gz YQYDADMVZMNLIX-IRXDYDNUSA-N 1 0 320.408 1.816 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000072300546 353197203 /nfs/dbraw/zinc/19/72/03/353197203.db2.gz IRTJKQRJFGCGMA-KOLCDFICSA-N 1 0 306.815 1.693 50 0 DDAARO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCc3nncn3C2)s1 ZINC000075605603 353370804 /nfs/dbraw/zinc/37/08/04/353370804.db2.gz GTBGQWWXMLLZIM-LBPRGKRZSA-N 1 0 320.466 1.933 50 0 DDAARO COc1ccc([C@H](O)C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000078788241 353532765 /nfs/dbraw/zinc/53/27/65/353532765.db2.gz BOGUMBYDFVAWCT-IAGOWNOFSA-N 1 0 306.406 1.181 50 0 DDAARO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCc3ccccn3)C2)C1=O ZINC000084597373 353724427 /nfs/dbraw/zinc/72/44/27/353724427.db2.gz MGSGNGBQUOTCNA-MRXNPFEDSA-N 1 0 302.378 1.029 50 0 DDAARO CN1C(=O)C[C@@H](CNC(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000097236903 353919056 /nfs/dbraw/zinc/91/90/56/353919056.db2.gz OTZHMESVPVQXBA-GOEBONIOSA-N 1 0 318.421 1.067 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccoc2)CC[C@]1(O)c1ccccc1 ZINC000097942686 353920939 /nfs/dbraw/zinc/92/09/39/353920939.db2.gz WBFYPVFHFKHHHN-AEFFLSMTSA-N 1 0 314.385 1.944 50 0 DDAARO Cc1n[nH]nc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189162104 354284545 /nfs/dbraw/zinc/28/45/45/354284545.db2.gz MFXLTPGYCVXKOI-OAHLLOKOSA-N 1 0 313.405 1.707 50 0 DDAARO CC(C)(C)C1CCN(S(=O)(=O)NCC[NH2+]C2CC2)CC1 ZINC000195555214 354296659 /nfs/dbraw/zinc/29/66/59/354296659.db2.gz RMWIRBDHFMFDAV-UHFFFAOYSA-N 1 0 303.472 1.331 50 0 DDAARO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2CO)c1 ZINC000195579329 354298754 /nfs/dbraw/zinc/29/87/54/354298754.db2.gz SQYHNWPUNBXUIC-VNHYZAJKSA-N 1 0 306.406 1.718 50 0 DDAARO C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCOCC2)C[C@@H](C)C1 ZINC000253370285 354386867 /nfs/dbraw/zinc/38/68/67/354386867.db2.gz OQJNRVFGVGJOSU-WDNDVIMCSA-N 1 0 303.468 1.995 50 0 DDAARO COc1ccc(F)cc1C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000584888621 354791559 /nfs/dbraw/zinc/79/15/59/354791559.db2.gz GHMHTNKJLOZTGK-LBPRGKRZSA-N 1 0 310.369 1.268 50 0 DDAARO CN(Cc1ccon1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000584885852 354789272 /nfs/dbraw/zinc/78/92/72/354789272.db2.gz WOWBIXWTDARTFS-UHFFFAOYSA-N 1 0 322.409 1.459 50 0 DDAARO Cc1ccc2c(ncn(C[C@H]3COCC[N@@H+](C)C3)c2=O)c1C ZINC000584899279 354798991 /nfs/dbraw/zinc/79/89/91/354798991.db2.gz AWFYVHFLQKNCMD-AWEZNQCLSA-N 1 0 301.390 1.592 50 0 DDAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2cccc3c2NCCC3)C1 ZINC000584892803 354794666 /nfs/dbraw/zinc/79/46/66/354794666.db2.gz XMHVLOQVMLSJGB-CYBMUJFWSA-N 1 0 303.406 1.353 50 0 DDAARO C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237426602 202262525 /nfs/dbraw/zinc/26/25/25/202262525.db2.gz QIKMHGHUFYVMPC-BFYDXBDKSA-N 1 0 316.449 1.804 50 0 DDAARO Cc1cc(CN2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)no1 ZINC000237729191 202341208 /nfs/dbraw/zinc/34/12/08/202341208.db2.gz SDVKWRPAQMZZRB-KBPBESRZSA-N 1 0 306.410 1.145 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000408519118 296027641 /nfs/dbraw/zinc/02/76/41/296027641.db2.gz VTHFADIGRLVPNC-ZWNOBZJWSA-N 1 0 300.362 1.677 50 0 DDAARO COc1ccc(OC[C@@H](O)C[NH2+]CCCO)c(C(C)(C)C)c1 ZINC000006790340 181389963 /nfs/dbraw/zinc/38/99/63/181389963.db2.gz PPCCNVYGFNUISX-ZDUSSCGKSA-N 1 0 311.422 1.704 50 0 DDAARO C[C@]1(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CCOC1 ZINC000091170278 193011460 /nfs/dbraw/zinc/01/14/60/193011460.db2.gz ZNZCFNUESXDPRX-INIZCTEOSA-N 1 0 321.425 1.670 50 0 DDAARO CC(C)C[C@@H](C(N)=O)n1cc(C2CC[NH+](C(C)C)CC2)nn1 ZINC000091452555 193058463 /nfs/dbraw/zinc/05/84/63/193058463.db2.gz RWDDJVBMXROAAF-HNNXBMFYSA-N 1 0 307.442 1.938 50 0 DDAARO CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@]3(C(=O)[O-])C2)nc1 ZINC000091664529 193087226 /nfs/dbraw/zinc/08/72/26/193087226.db2.gz FEUQXBOBQGVIER-YOEHRIQHSA-N 1 0 303.406 1.482 50 0 DDAARO CC[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cccn1 ZINC000091819595 193112182 /nfs/dbraw/zinc/11/21/82/193112182.db2.gz YWLLJZWQSUHXGJ-MRXNPFEDSA-N 1 0 320.437 1.405 50 0 DDAARO CCC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1[NH+](C)C ZINC000091849027 193116657 /nfs/dbraw/zinc/11/66/57/193116657.db2.gz ZENHSKIPGPRNKF-JSGCOSHPSA-N 1 0 305.426 1.345 50 0 DDAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091871844 193121305 /nfs/dbraw/zinc/12/13/05/193121305.db2.gz VNCDHTIWSGHZMQ-ZDUSSCGKSA-N 1 0 317.364 1.897 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@@H](C)Cn3cncn3)[nH]c12 ZINC000092064910 193150395 /nfs/dbraw/zinc/15/03/95/193150395.db2.gz WCTBKHZLIOKEQF-ZDUSSCGKSA-N 1 0 311.389 1.915 50 0 DDAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000222899705 201626479 /nfs/dbraw/zinc/62/64/79/201626479.db2.gz NCTRHKLWWNOSAW-OLZOCXBDSA-N 1 0 316.323 1.842 50 0 DDAARO C[NH2+][C@@H](C)CNC(=O)c1ccc(Br)cc1OC ZINC000261544362 203076444 /nfs/dbraw/zinc/07/64/44/203076444.db2.gz DUDNXPAPEAPQAR-QMMMGPOBSA-N 1 0 301.184 1.795 50 0 DDAARO CC[NH2+][C@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 ZINC000014542317 181956501 /nfs/dbraw/zinc/95/65/01/181956501.db2.gz HOJBUVKAJMHPJA-AWEZNQCLSA-N 1 0 312.417 1.758 50 0 DDAARO COc1cccc(C=O)c1OCCCCN1CC[NH+](C)CC1 ZINC000020327281 182208002 /nfs/dbraw/zinc/20/80/02/182208002.db2.gz RGMUSDBPHJOUIK-UHFFFAOYSA-N 1 0 306.406 1.914 50 0 DDAARO CCC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)cc1 ZINC000020472211 182221826 /nfs/dbraw/zinc/22/18/26/182221826.db2.gz FJHNJKSILKGNDJ-INIZCTEOSA-N 1 0 320.433 1.657 50 0 DDAARO Cc1cnc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000022682393 182330576 /nfs/dbraw/zinc/33/05/76/182330576.db2.gz PSYAPWYKKOLMCW-HNNXBMFYSA-N 1 0 302.353 1.957 50 0 DDAARO CCn1cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(C)n1 ZINC000022853572 182337322 /nfs/dbraw/zinc/33/73/22/182337322.db2.gz KYLAAMQGTJTPOF-QGZVFWFLSA-N 1 0 308.470 1.736 50 0 DDAARO Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n2ncnc2n1 ZINC000023619324 182364477 /nfs/dbraw/zinc/36/44/77/182364477.db2.gz WKEPPLDNJJBGIP-CHWSQXEVSA-N 1 0 304.398 1.344 50 0 DDAARO Cc1ccc(/C=C\C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000098018732 193775011 /nfs/dbraw/zinc/77/50/11/193775011.db2.gz XTCFSJMIPHMNHW-XVWMLYKFSA-N 1 0 304.390 1.782 50 0 DDAARO CN1CC[NH+](CCCCNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000041362966 183186243 /nfs/dbraw/zinc/18/62/43/183186243.db2.gz KMWXLFBVZHQYJU-UHFFFAOYSA-N 1 0 311.376 1.722 50 0 DDAARO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)NC(N)=O)C2CC2)o1 ZINC000042145864 183235430 /nfs/dbraw/zinc/23/54/30/183235430.db2.gz RHBJQULRWLKGKM-GWCFXTLKSA-N 1 0 305.378 1.952 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502737 183416081 /nfs/dbraw/zinc/41/60/81/183416081.db2.gz HXDCMASLDUTYSH-NSHDSACASA-N 1 0 302.827 1.926 50 0 DDAARO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000105802435 194131658 /nfs/dbraw/zinc/13/16/58/194131658.db2.gz YQEMOXJDVYRPBV-AWEZNQCLSA-N 1 0 300.410 1.586 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056156895 184006052 /nfs/dbraw/zinc/00/60/52/184006052.db2.gz JQVVNRWQXWFPDO-NWDGAFQWSA-N 1 0 307.394 1.969 50 0 DDAARO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000058377640 184110285 /nfs/dbraw/zinc/11/02/85/184110285.db2.gz LIPMWMDTQYPHKB-MRXNPFEDSA-N 1 0 315.417 1.549 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000058391218 184111447 /nfs/dbraw/zinc/11/14/47/184111447.db2.gz SYRMELPDIMKLAR-ZDUSSCGKSA-N 1 0 316.405 1.724 50 0 DDAARO c1c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000061783289 184187316 /nfs/dbraw/zinc/18/73/16/184187316.db2.gz WMGXZJVOWWHEAV-INIZCTEOSA-N 1 0 300.406 1.631 50 0 DDAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000063159796 184275003 /nfs/dbraw/zinc/27/50/03/184275003.db2.gz WSQZXNBWNWOTIG-UHFFFAOYSA-N 1 0 300.399 1.754 50 0 DDAARO O=C1CC[C@]2(CCN1Cc1ccccc1)[NH2+]CCc1nc[nH]c12 ZINC000065385261 184333197 /nfs/dbraw/zinc/33/31/97/184333197.db2.gz VMPOITJKWPDZPH-GOSISDBHSA-N 1 0 310.401 1.963 50 0 DDAARO Cn1ncnc1[C@@H]([NH2+]CCC(=O)NC1CCCCC1)C1CC1 ZINC000065373219 184330812 /nfs/dbraw/zinc/33/08/12/184330812.db2.gz CYIPKEQMRPSZFI-HNNXBMFYSA-N 1 0 305.426 1.695 50 0 DDAARO Cc1nc(CCNC(=O)N2CCC(C[NH+](C)C)CC2)cs1 ZINC000065417414 184341645 /nfs/dbraw/zinc/34/16/45/184341645.db2.gz GSQJKLYMHFCXJH-UHFFFAOYSA-N 1 0 310.467 1.977 50 0 DDAARO COc1ccc(-n2ccc(C(=O)NCC[N@H+](C)C3CC3)n2)cc1 ZINC000065430423 184343404 /nfs/dbraw/zinc/34/34/04/184343404.db2.gz STZUELSVEUKNOH-UHFFFAOYSA-N 1 0 314.389 1.705 50 0 DDAARO C[C@H](CCn1cccn1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000065432470 184344337 /nfs/dbraw/zinc/34/43/37/184344337.db2.gz KXTFUGDCHBYZLI-CYBMUJFWSA-N 1 0 313.405 1.642 50 0 DDAARO C[C@@H](CNC(=O)NCCc1cn2ccccc2n1)[NH+]1CCCC1 ZINC000065452498 184346693 /nfs/dbraw/zinc/34/66/93/184346693.db2.gz ONWJKAAOMNMOGY-AWEZNQCLSA-N 1 0 315.421 1.660 50 0 DDAARO Cc1cc(C)c(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]1 ZINC000065473119 184350523 /nfs/dbraw/zinc/35/05/23/184350523.db2.gz JXAJLGUYQJFGFH-CQSZACIVSA-N 1 0 320.437 1.521 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](C)CN1CCCC1=O ZINC000065478138 184352334 /nfs/dbraw/zinc/35/23/34/184352334.db2.gz KGBDJBGAJMSDHG-CYBMUJFWSA-N 1 0 321.469 1.710 50 0 DDAARO COC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000065587356 184369338 /nfs/dbraw/zinc/36/93/38/184369338.db2.gz MDNURRHZYZPQAV-ZDUSSCGKSA-N 1 0 306.410 1.747 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2cccs2)CCCC1 ZINC000065593065 184370538 /nfs/dbraw/zinc/37/05/38/184370538.db2.gz OGLXNKBQPGFMQY-LLVKDONJSA-N 1 0 309.435 1.994 50 0 DDAARO C[NH+](C)C1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000071824105 184855328 /nfs/dbraw/zinc/85/53/28/184855328.db2.gz MURUZUXMHPUVBS-CQSZACIVSA-N 1 0 317.437 1.246 50 0 DDAARO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002858516 406704461 /nfs/dbraw/zinc/70/44/61/406704461.db2.gz LBMIOANBZDLHGU-UHFFFAOYSA-N 1 0 303.284 1.322 50 0 DDAARO CNC(=O)C1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000068387316 406637508 /nfs/dbraw/zinc/63/75/08/406637508.db2.gz RHSLFGDAPCHPHM-ZDUSSCGKSA-N 1 0 317.433 1.758 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)COCCOc2ccccc2)CC1 ZINC000069619981 406745228 /nfs/dbraw/zinc/74/52/28/406745228.db2.gz HDLRKGWBUDAPJP-UHFFFAOYSA-N 1 0 306.406 1.636 50 0 DDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000069621829 406745841 /nfs/dbraw/zinc/74/58/41/406745841.db2.gz SMFGFDXACVANBN-LBPRGKRZSA-N 1 0 302.426 1.966 50 0 DDAARO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000069662786 406755275 /nfs/dbraw/zinc/75/52/75/406755275.db2.gz NBVBKWJVFPHTAD-INIZCTEOSA-N 1 0 319.453 1.158 50 0 DDAARO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(CCO)CC1 ZINC000069702635 406760481 /nfs/dbraw/zinc/76/04/81/406760481.db2.gz HEHKRQWSTYYXSG-CQSZACIVSA-N 1 0 320.433 1.794 50 0 DDAARO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000069739302 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CC1CC[NH+](C[C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069815087 406777110 /nfs/dbraw/zinc/77/71/10/406777110.db2.gz HURUJZCQMFELOI-IAGOWNOFSA-N 1 0 321.469 1.225 50 0 DDAARO C[C@@H]1CN(Cc2nccn2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000070008510 406802647 /nfs/dbraw/zinc/80/26/47/406802647.db2.gz MBCIVUBMTPEMLS-WBVHZDCISA-N 1 0 314.433 1.660 50 0 DDAARO CCOCC[N@@H+]1CCN(c2ncnc3c2cnn3C)C[C@H]1CC ZINC000070037087 406804211 /nfs/dbraw/zinc/80/42/11/406804211.db2.gz SHYNYEKTFHFXBQ-CYBMUJFWSA-N 1 0 318.425 1.300 50 0 DDAARO COc1c(C)cnc(C[NH2+][C@H]2CCc3nc(C)nn3C2)c1C ZINC000069969598 406795986 /nfs/dbraw/zinc/79/59/86/406795986.db2.gz KLLQIWAYPWJVFU-ZDUSSCGKSA-N 1 0 301.394 1.712 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)N(C)Cc1ccsc1)CC2 ZINC000069952232 406796675 /nfs/dbraw/zinc/79/66/75/406796675.db2.gz CYIWPWVMYSESAM-CYBMUJFWSA-N 1 0 319.434 1.211 50 0 DDAARO COc1cccc2c1OC[C@H]([NH2+]CCSc1nc[nH]n1)C2 ZINC000012711699 406851034 /nfs/dbraw/zinc/85/10/34/406851034.db2.gz 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ZINC000036297528 406977821 /nfs/dbraw/zinc/97/78/21/406977821.db2.gz UPLRYTYNTOQRNG-ZDUSSCGKSA-N 1 0 312.341 1.943 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000075129321 406924040 /nfs/dbraw/zinc/92/40/40/406924040.db2.gz HSIHCRXTKHQJMH-JKSUJKDBSA-N 1 0 314.433 1.759 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000075584906 406935484 /nfs/dbraw/zinc/93/54/84/406935484.db2.gz AZJCIHRPRGPWDH-HNNXBMFYSA-N 1 0 317.437 1.390 50 0 DDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000031288131 406938073 /nfs/dbraw/zinc/93/80/73/406938073.db2.gz MXWMDRMJBJVKSC-KRWDZBQOSA-N 1 0 317.433 1.494 50 0 DDAARO CN1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC1=O ZINC000076087190 406954490 /nfs/dbraw/zinc/95/44/90/406954490.db2.gz KJAOFXVTCIQGPE-GJZGRUSLSA-N 1 0 322.453 1.171 50 0 DDAARO CC(C)NC(=O)NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000032913827 406956610 /nfs/dbraw/zinc/95/66/10/406956610.db2.gz HJRUAONALOQJNW-UHFFFAOYSA-N 1 0 307.394 1.622 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C2CCCCC2)C[C@@H](C)O1 ZINC000078726450 407043624 /nfs/dbraw/zinc/04/36/24/407043624.db2.gz RCHJQXHOFKRECN-MUIFIZLQSA-N 1 0 324.465 1.638 50 0 DDAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCOC[C@@H](O)C1 ZINC000077299003 406983679 /nfs/dbraw/zinc/98/36/79/406983679.db2.gz XEHMFSROZDUEFK-KRWDZBQOSA-N 1 0 318.417 1.062 50 0 DDAARO O[C@@]1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000077386553 406987646 /nfs/dbraw/zinc/98/76/46/406987646.db2.gz XOBCXGPZOOMZOY-HNNXBMFYSA-N 1 0 306.797 1.544 50 0 DDAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077471233 406992788 /nfs/dbraw/zinc/99/27/88/406992788.db2.gz TVJNSGLYWCXUMA-OAHLLOKOSA-N 1 0 303.414 1.513 50 0 DDAARO O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037996816 406996660 /nfs/dbraw/zinc/99/66/60/406996660.db2.gz NGUNSZGFMIDPGJ-LBPRGKRZSA-N 1 0 311.403 1.372 50 0 DDAARO COCCn1cc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000079096525 407050275 /nfs/dbraw/zinc/05/02/75/407050275.db2.gz 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ZINC000055060495 407194447 /nfs/dbraw/zinc/19/44/47/407194447.db2.gz FESCPQMRCUYVGA-CABCVRRESA-N 1 0 323.481 1.872 50 0 DDAARO CC[NH+]1CCN(c2nccc(-c3cnc4ncnn4c3C)n2)CC1 ZINC000054202018 407180076 /nfs/dbraw/zinc/18/00/76/407180076.db2.gz FMZJIFYNRAZOCO-UHFFFAOYSA-N 1 0 324.392 1.032 50 0 DDAARO CCCc1cc(C(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)[nH]n1 ZINC000055072613 407194508 /nfs/dbraw/zinc/19/45/08/407194508.db2.gz PTYVLUWDGLFZKX-OAHLLOKOSA-N 1 0 322.453 1.527 50 0 DDAARO Cc1cc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc[nH+]1 ZINC000096405759 407260869 /nfs/dbraw/zinc/26/08/69/407260869.db2.gz IPWFIMWTVYOYIR-UHFFFAOYSA-N 1 0 316.346 1.167 50 0 DDAARO [NH3+][C@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@@H]1C1CC1 ZINC000095368279 407210185 /nfs/dbraw/zinc/21/01/85/407210185.db2.gz QSRIRDOFPUVPDV-KGLIPLIRSA-N 1 0 315.421 1.276 50 0 DDAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1ncnn1CC ZINC000095369644 407210237 /nfs/dbraw/zinc/21/02/37/407210237.db2.gz NNRASVDRSMKNAI-AWEZNQCLSA-N 1 0 307.442 1.987 50 0 DDAARO 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Cc1c(Cl)c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nn1C ZINC000333778396 410605810 /nfs/dbraw/zinc/60/58/10/410605810.db2.gz DJPAALLJWLGMBL-NEPJUHHUSA-N 1 0 310.829 1.986 50 0 DDAARO CC(C)=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000299768433 410614562 /nfs/dbraw/zinc/61/45/62/410614562.db2.gz JKGLBYUZNFQOJM-UKRRQHHQSA-N 1 0 307.394 1.504 50 0 DDAARO Cc1nonc1CC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299773835 410617239 /nfs/dbraw/zinc/61/72/39/410617239.db2.gz FFVQSXFQSPVMMN-ZDUSSCGKSA-N 1 0 306.410 1.834 50 0 DDAARO CCCn1cc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c(C)n1 ZINC000299775416 410618594 /nfs/dbraw/zinc/61/85/94/410618594.db2.gz DBCBXLFJRGRVJQ-JKSUJKDBSA-N 1 0 316.409 1.539 50 0 DDAARO CCn1nc(C)c(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1C ZINC000299780396 410625584 /nfs/dbraw/zinc/62/55/84/410625584.db2.gz AKXFOWWYEOEKBR-JKSUJKDBSA-N 1 0 316.409 1.457 50 0 DDAARO O=C(C[C@H]1C[NH2+]CCO1)NCC1(c2ccccc2)CCOCC1 ZINC000299797561 410635137 /nfs/dbraw/zinc/63/51/37/410635137.db2.gz PHZGLOICONOVNF-INIZCTEOSA-N 1 0 318.417 1.230 50 0 DDAARO C[N@@H+]1C[C@H](NC(=O)Nc2cccc(Cl)c2F)C[C@H]1CO ZINC000299794347 410635221 /nfs/dbraw/zinc/63/52/21/410635221.db2.gz JWCWZRUXHLTWEW-BDAKNGLRSA-N 1 0 301.749 1.666 50 0 DDAARO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCOC1CCCCC1 ZINC000347723299 410686525 /nfs/dbraw/zinc/68/65/25/410686525.db2.gz XQAKFTRVJFOKAC-HNNXBMFYSA-N 1 0 312.454 1.810 50 0 DDAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000131724447 196194896 /nfs/dbraw/zinc/19/48/96/196194896.db2.gz ADUJDNAHUQMXNJ-SNVBAGLBSA-N 1 0 319.224 1.561 50 0 DDAARO Cc1cc(C)n2ncc(C(=O)NCC(C)(C)C[NH+](C)C)c2n1 ZINC000044908647 418432731 /nfs/dbraw/zinc/43/27/31/418432731.db2.gz AVBJWCLTYQSDHE-UHFFFAOYSA-N 1 0 303.410 1.664 50 0 DDAARO CCCn1nc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1=O ZINC000044941799 418433575 /nfs/dbraw/zinc/43/35/75/418433575.db2.gz RSOVRLNWHLSCLT-GXTWGEPZSA-N 1 0 304.394 1.010 50 0 DDAARO Cn1c(=O)cc(C[N@H+](Cc2ccco2)C2CCCC2)n(C)c1=O ZINC000044975959 418436240 /nfs/dbraw/zinc/43/62/40/418436240.db2.gz IPKKLSNRSJHKNT-UHFFFAOYSA-N 1 0 317.389 1.622 50 0 DDAARO CC(C)c1nc(CN(C)[C@@H]2CCN([C@H]3CCOC3=O)C2)no1 ZINC000257366024 418567958 /nfs/dbraw/zinc/56/79/58/418567958.db2.gz GNJYIRFDDKWQCI-NEPJUHHUSA-N 1 0 308.382 1.015 50 0 DDAARO C[C@@H]1CN(C(=O)[C@H]2CSc3ccccc3O2)C[C@H]1[NH+](C)C ZINC000257366419 418568268 /nfs/dbraw/zinc/56/82/68/418568268.db2.gz XOHSHJGPVVHHAP-YRGRVCCFSA-N 1 0 306.431 1.948 50 0 DDAARO C[C@@H](C(=O)NCCc1nc(C2CC2)no1)[NH+]1CCCCCC1 ZINC000219319959 418560993 /nfs/dbraw/zinc/56/09/93/418560993.db2.gz AMZZDBWRSYQIRD-LBPRGKRZSA-N 1 0 306.410 1.870 50 0 DDAARO CCn1ccnc1CN1CC[N@H+](C[C@H]2CCCCO2)C[C@H]1C ZINC000252475212 222243837 /nfs/dbraw/zinc/24/38/37/222243837.db2.gz VYMNKXQWSCGXSR-HZPDHXFCSA-N 1 0 306.454 1.978 50 0 DDAARO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n(C)n1 ZINC000252476842 222243975 /nfs/dbraw/zinc/24/39/75/222243975.db2.gz CIQZTOYOGOZSEW-KCPJHIHWSA-N 1 0 306.410 1.412 50 0 DDAARO O=C(NCC1(c2ccccc2)CCCCC1)N[C@@H]1C[NH2+]C[C@H]1O ZINC000426503625 419490659 /nfs/dbraw/zinc/49/06/59/419490659.db2.gz WEVAHXSGDNOKAP-HZPDHXFCSA-N 1 0 317.433 1.520 50 0 DDAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCC(F)(F)CC1 ZINC000426388349 419454163 /nfs/dbraw/zinc/45/41/63/419454163.db2.gz CDUJKMJWIWGEDH-LBPRGKRZSA-N 1 0 312.364 1.608 50 0 DDAARO Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1C ZINC000426402083 419461322 /nfs/dbraw/zinc/46/13/22/419461322.db2.gz UIWVXKWBCUPOFQ-HNNXBMFYSA-N 1 0 305.422 1.707 50 0 DDAARO CN(CC[NH+]1CCCCCC1)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426435299 419467001 /nfs/dbraw/zinc/46/70/01/419467001.db2.gz FHYLXDVYTRSXBM-CQSZACIVSA-N 1 0 319.453 1.875 50 0 DDAARO CN1CCCN(C(=O)NC2CCCCC2)CC12CC[NH2+]CC2 ZINC000426518920 419496690 /nfs/dbraw/zinc/49/66/90/419496690.db2.gz FXUILEIETYJXSV-UHFFFAOYSA-N 1 0 308.470 1.788 50 0 DDAARO Cc1ccc(N2CC[C@@H](C(=O)N(C)[C@H]3CC[NH2+]C3)C2=O)cc1C ZINC000299739133 229372234 /nfs/dbraw/zinc/37/22/34/229372234.db2.gz KYMGTRWMTGXZSJ-HOTGVXAUSA-N 1 0 315.417 1.477 50 0 DDAARO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000515044537 421475912 /nfs/dbraw/zinc/47/59/12/421475912.db2.gz IBMWFCQIEMWZKN-MRXNPFEDSA-N 1 0 317.437 1.003 50 0 DDAARO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650771 422209767 /nfs/dbraw/zinc/20/97/67/422209767.db2.gz ASXYLTCIZZGCAK-UONOGXRCSA-N 1 0 313.405 1.804 50 0 DDAARO Cc1nc(NCC2(C[NH+]3CCN(C)CC3)CC2)ccc1Cl ZINC000584890002 422301891 /nfs/dbraw/zinc/30/18/91/422301891.db2.gz QUYIYYPCMFHLIK-UHFFFAOYSA-N 1 0 308.857 2.483 50 0 DDAARO CC(C)OCC[NH+]1CCN(c2nccc3nccnc32)CC1 ZINC000585114063 422305514 /nfs/dbraw/zinc/30/55/14/422305514.db2.gz QRUONUMAWPQNNP-UHFFFAOYSA-N 1 0 301.394 1.572 50 0 DDAARO Cc1nn(CCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1C ZINC000067713661 274869493 /nfs/dbraw/zinc/86/94/93/274869493.db2.gz YNYCDVAIGMHBAD-KRWDZBQOSA-N 1 0 304.438 1.801 50 0 DDAARO CN1C2=Nc3ccccc3S[C@H]2CC(=O)N1CC[NH+](C)C ZINC000017118029 276761392 /nfs/dbraw/zinc/76/13/92/276761392.db2.gz GFOURTKCBRETRP-ZDUSSCGKSA-N 1 0 304.419 1.832 50 0 DDAARO COC(=O)[C@H]1CC(=O)N(OCc2ccccc2)C12CC[NH2+]CC2 ZINC000299797781 277387316 /nfs/dbraw/zinc/38/73/16/277387316.db2.gz SPFHSOVROVOHLM-CQSZACIVSA-N 1 0 318.373 1.262 50 0 DDAARO CC(C)c1ccc(NC(=O)[C@@]2(NC=O)C[NH+]3CCC2CC3)cc1 ZINC000035170812 278041381 /nfs/dbraw/zinc/04/13/81/278041381.db2.gz LXYQBOPXSFCPIF-GOSISDBHSA-N 1 0 315.417 1.959 50 0 DDAARO CS(=O)(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000040497493 278112593 /nfs/dbraw/zinc/11/25/93/278112593.db2.gz QUHZCICENUZYDP-UHFFFAOYSA-N 1 0 310.341 1.734 50 0 DDAARO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000195531517 278147451 /nfs/dbraw/zinc/14/74/51/278147451.db2.gz IHKVUZUROZRKCY-RFQIPJPRSA-N 1 0 300.468 1.838 50 0 DDAARO CC(C)C[C@H]1COCCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000096435376 279217689 /nfs/dbraw/zinc/21/76/89/279217689.db2.gz HKYWXRGMGQGVGX-AWEZNQCLSA-N 1 0 323.441 1.724 50 0 DDAARO C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245446946 279218133 /nfs/dbraw/zinc/21/81/33/279218133.db2.gz LRQIGJYLPWOGCB-UKRRQHHQSA-N 1 0 318.421 1.024 50 0 DDAARO CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082148409 280212311 /nfs/dbraw/zinc/21/23/11/280212311.db2.gz KFWWCARAKPHJJN-MRXNPFEDSA-N 1 0 322.453 1.786 50 0 DDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000097098968 281677987 /nfs/dbraw/zinc/67/79/87/281677987.db2.gz VKLGCVQCRQLLQC-KBPBESRZSA-N 1 0 301.452 1.508 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000069415204 289143401 /nfs/dbraw/zinc/14/34/01/289143401.db2.gz YHTYPMQKANSOCX-NVXWUHKLSA-N 1 0 318.417 1.559 50 0 DDAARO C[C@H]([C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1)n1cccn1 ZINC000069952015 290206926 /nfs/dbraw/zinc/20/69/26/290206926.db2.gz LUNCRNXCUJKABZ-UONOGXRCSA-N 1 0 307.419 1.896 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237407914 297013717 /nfs/dbraw/zinc/01/37/17/297013717.db2.gz LOANBJDOQPKZNQ-FMKPAKJESA-N 1 0 309.454 1.086 50 0 DDAARO Cn1cc([C@H]2C[C@H]2C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000071841354 294303638 /nfs/dbraw/zinc/30/36/38/294303638.db2.gz ZUAONAGLCHZZCL-HZPDHXFCSA-N 1 0 302.422 1.610 50 0 DDAARO O=S(=O)(N1CC[C@]2(C1)CCC[NH2+]C2)N1CCCCCC1 ZINC000067967228 304757382 /nfs/dbraw/zinc/75/73/82/304757382.db2.gz GFXNFLQTXQZFRX-CQSZACIVSA-N 1 0 301.456 1.183 50 0 DDAARO Cc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000097142792 302001992 /nfs/dbraw/zinc/00/19/92/302001992.db2.gz YDQWVTYIAKUDHK-HNNXBMFYSA-N 1 0 319.453 1.784 50 0 DDAARO NC(=O)CCNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012571676 303245490 /nfs/dbraw/zinc/24/54/90/303245490.db2.gz NPBUVNSJLSACQN-UHFFFAOYSA-N 1 0 315.417 1.002 50 0 DDAARO CO[C@H]1COC[C@@H]1NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000534576797 334287980 /nfs/dbraw/zinc/28/79/80/334287980.db2.gz WDTXHLFJHQGUNG-GJZGRUSLSA-N 1 0 310.438 1.705 50 0 DDAARO COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c(OC)c1 ZINC000534592669 334294724 /nfs/dbraw/zinc/29/47/24/334294724.db2.gz LYVTVZQQSCEEIX-GEEKYZPCSA-N 1 0 316.401 1.455 50 0 DDAARO CCCn1nccc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000534593362 334294841 /nfs/dbraw/zinc/29/48/41/334294841.db2.gz RLKXWZQIGFBXDD-UHFFFAOYSA-N 1 0 308.407 1.230 50 0 DDAARO O=S(=O)(CCN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12)c1ccccc1 ZINC000534634303 334308652 /nfs/dbraw/zinc/30/86/52/334308652.db2.gz ZZFUGBNNQRZRQB-GEEKYZPCSA-N 1 0 306.431 1.143 50 0 DDAARO CC(C)C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ncnn1C ZINC000534641444 334311461 /nfs/dbraw/zinc/31/14/61/334311461.db2.gz ZOQQCMXKEGEBJF-CQSZACIVSA-N 1 0 307.442 1.895 50 0 DDAARO CN(C)c1nc2c(c(Sc3nnc(C[NH3+])n3C)n1)CCCC2 ZINC000534659711 334315495 /nfs/dbraw/zinc/31/54/95/334315495.db2.gz GZUDKBXDGOBGKL-UHFFFAOYSA-N 1 0 319.438 1.160 50 0 DDAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)n1 ZINC000670443588 484833293 /nfs/dbraw/zinc/83/32/93/484833293.db2.gz SCUYVQDUTZHDET-GFCCVEGCSA-N 1 0 305.382 1.670 50 0 DDAARO CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000156980005 521925134 /nfs/dbraw/zinc/92/51/34/521925134.db2.gz LYUWKZFQEZKBAH-UCNGNXAWSA-N 1 0 316.405 1.040 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000158124681 527400517 /nfs/dbraw/zinc/40/05/17/527400517.db2.gz SVHBKXORTSSTJV-INIZCTEOSA-N 1 0 303.406 1.082 50 0 DDAARO CC[C@]1(O)CCCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)C1 ZINC000067921670 535956655 /nfs/dbraw/zinc/95/66/55/535956655.db2.gz HBDZPWYCWFBTGA-KRWDZBQOSA-N 1 0 304.438 1.993 50 0 DDAARO COc1cccc2c1OC[C@H]([NH2+]CCCN1CCCC1=O)C2 ZINC000012385375 696049676 /nfs/dbraw/zinc/04/96/76/696049676.db2.gz NZTVSUXENDBPFA-CQSZACIVSA-N 1 0 304.390 1.601 50 0 DDAARO CCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3F)CN2C1=O ZINC000014754931 696055847 /nfs/dbraw/zinc/05/58/47/696055847.db2.gz AZIWUTLCEQCXGK-QEJZJMRPSA-N 1 0 319.380 1.183 50 0 DDAARO C[N@@H+]1CCN(c2cnc3ccc(Cl)cc3n2)C[C@@H]1CCO ZINC000032537210 696123997 /nfs/dbraw/zinc/12/39/97/696123997.db2.gz IVQPAHXRIIWPCL-LBPRGKRZSA-N 1 0 306.797 1.786 50 0 DDAARO Cc1ccc2c(c1)c(CNc1nc(N)nc3c1CC[NH2+]C3)nn2C ZINC000067697408 696363337 /nfs/dbraw/zinc/36/33/37/696363337.db2.gz NNIHJJAOHZCGSW-UHFFFAOYSA-N 1 0 323.404 1.512 50 0 DDAARO COc1ncc(-c2nccn2[C@@H](C)CC[NH+]2CCOCC2)cn1 ZINC000072146002 696393216 /nfs/dbraw/zinc/39/32/16/696393216.db2.gz RGQSVMWRZAYOCR-ZDUSSCGKSA-N 1 0 317.393 1.632 50 0 DDAARO O=C(c1ccncc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000169775223 697345063 /nfs/dbraw/zinc/34/50/63/697345063.db2.gz WBEHFBHFYOJNNM-HNNXBMFYSA-N 1 0 303.406 1.656 50 0 DDAARO Cc1ccc(C(=O)N2C[C@H](CO)C3(C2)CC[NH2+]CC3)c(C)c1 ZINC000169789416 697346424 /nfs/dbraw/zinc/34/64/24/697346424.db2.gz NXRYAEOUSUSYQO-OAHLLOKOSA-N 1 0 302.418 1.738 50 0 DDAARO C[NH2+]CCCNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000864092679 706065335 /nfs/dbraw/zinc/06/53/35/706065335.db2.gz TYFRHGWQJATVPJ-GFCCVEGCSA-N 1 0 304.312 1.335 50 0 DDAARO Cn1cncc1[C@H]([NH3+])C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000958527783 716612041 /nfs/dbraw/zinc/61/20/41/716612041.db2.gz DMRKSFIIGBICAM-LBPRGKRZSA-N 1 0 310.398 1.182 50 0 DDAARO CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H]([NH3+])c2cncnc2)C1 ZINC000958527954 716612251 /nfs/dbraw/zinc/61/22/51/716612251.db2.gz JGUGIHXLHMODAH-WFASDCNBSA-N 1 0 308.382 1.238 50 0 DDAARO Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000952984517 721531865 /nfs/dbraw/zinc/53/18/65/721531865.db2.gz XEHVEVWMPJHARZ-UHFFFAOYSA-N 1 0 320.437 1.774 50 0 DDAARO NCc1nc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)co1 ZINC000952985760 721532603 /nfs/dbraw/zinc/53/26/03/721532603.db2.gz DLUTYAGTDJBABN-UHFFFAOYSA-N 1 0 300.362 1.981 50 0 DDAARO O=C(NCCCSc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000828034897 759460629 /nfs/dbraw/zinc/46/06/29/759460629.db2.gz ZMADTWNHBLALAP-ZIAGYGMSSA-N 1 0 309.435 1.191 50 0 DDAARO CO[C@@H]1C[N@H+](C2CCN(C(=O)C3CCC3)CC2)C12CCOCC2 ZINC000581802430 761707971 /nfs/dbraw/zinc/70/79/71/761707971.db2.gz KEVQWSWHGMIYQM-MRXNPFEDSA-N 1 0 322.449 1.657 50 0 DDAARO CCOc1cccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000585121470 771953015 /nfs/dbraw/zinc/95/30/15/771953015.db2.gz QIFXRVURFPBJMQ-HNNXBMFYSA-N 1 0 304.390 1.422 50 0 DDAARO O=c1ccc(C2CC2)nn1CC1C[NH+](CC2(O)CCCC2)C1 ZINC000585602451 773684138 /nfs/dbraw/zinc/68/41/38/773684138.db2.gz BNKMKKDCWAXGFB-UHFFFAOYSA-N 1 0 303.406 1.358 50 0 DDAARO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000074675580 185008696 /nfs/dbraw/zinc/00/86/96/185008696.db2.gz PLNMQQPALZFNJL-WFASDCNBSA-N 1 0 321.469 1.704 50 0 DDAARO c1ccn2c(c1)nnc2C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082161028 185173947 /nfs/dbraw/zinc/17/39/47/185173947.db2.gz FWEQQLBKAGAFAL-ZDUSSCGKSA-N 1 0 302.378 1.547 50 0 DDAARO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000083212787 185219846 /nfs/dbraw/zinc/21/98/46/185219846.db2.gz CGFTXEJUVQEFSJ-AWEZNQCLSA-N 1 0 314.437 1.973 50 0 DDAARO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000090182138 185285635 /nfs/dbraw/zinc/28/56/35/185285635.db2.gz VQSSKJSHNZQOGM-LSDHHAIUSA-N 1 0 300.402 1.905 50 0 DDAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCc2ccccc2C1 ZINC000082097070 192355373 /nfs/dbraw/zinc/35/53/73/192355373.db2.gz LLEUNEMWNCUCCD-OAHLLOKOSA-N 1 0 310.401 1.408 50 0 DDAARO [NH3+][C@@H]1CCCCN(CCC(=O)N2CCc3ccccc3C2)C1 ZINC000082155696 192361908 /nfs/dbraw/zinc/36/19/08/192361908.db2.gz NTALLDXHUGAHEC-QGZVFWFLSA-N 1 0 301.434 1.775 50 0 DDAARO C[C@H](NC(=O)CCn1ccnc1)C1([NH+]2CCOCC2)CCCC1 ZINC000095406970 185356312 /nfs/dbraw/zinc/35/63/12/185356312.db2.gz YVVHHCHWZCKLEK-HNNXBMFYSA-N 1 0 320.437 1.423 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000095432087 185363385 /nfs/dbraw/zinc/36/33/85/185363385.db2.gz OFYTTWFQDLFNBX-LBPRGKRZSA-N 1 0 300.424 1.655 50 0 DDAARO COCC[N@H+]1[C@H](C)CN(CCNC(=O)C2CCCC2)C[C@@H]1C ZINC000095452736 185369633 /nfs/dbraw/zinc/36/96/33/185369633.db2.gz DSGDQAOYIUIUHZ-GASCZTMLSA-N 1 0 311.470 1.334 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)C1 ZINC000097019606 185398004 /nfs/dbraw/zinc/39/80/04/185398004.db2.gz WFLUZRWMTRQLTL-OAHLLOKOSA-N 1 0 321.384 1.653 50 0 DDAARO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000097033070 185399673 /nfs/dbraw/zinc/39/96/73/185399673.db2.gz VBDUQCKXHQTTAA-NSHDSACASA-N 1 0 314.332 1.797 50 0 DDAARO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299748615 529894653 /nfs/dbraw/zinc/89/46/53/529894653.db2.gz HRSVQQHIOCFVGS-JSGCOSHPSA-N 1 0 312.797 1.290 50 0 DDAARO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000229170063 201825716 /nfs/dbraw/zinc/82/57/16/201825716.db2.gz UCKAAXSDQKDVIT-KBPBESRZSA-N 1 0 304.394 1.516 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000123602761 185824860 /nfs/dbraw/zinc/82/48/60/185824860.db2.gz AKJUBSUVPITGED-LLVKDONJSA-N 1 0 308.325 1.568 50 0 DDAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2csc(C)n2)c1=O ZINC000071614917 190994031 /nfs/dbraw/zinc/99/40/31/190994031.db2.gz WAHMDDKSLUHRNB-UHFFFAOYSA-N 1 0 321.450 1.420 50 0 DDAARO CC(C)c1nc2c(cnn2C)c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000072127359 191043413 /nfs/dbraw/zinc/04/34/13/191043413.db2.gz WMNUVQOYHCQHPW-GFCCVEGCSA-N 1 0 300.410 1.771 50 0 DDAARO Cc1cnn(CC[NH2+]CC(=O)NCCOc2ccc(F)cc2)c1 ZINC000072253136 191087686 /nfs/dbraw/zinc/08/76/86/191087686.db2.gz NFJLCLYHLSVFDO-UHFFFAOYSA-N 1 0 320.368 1.115 50 0 DDAARO Cc1c(CCC(=O)N2CCC[N@H+](CC3CC3)CC2)cnn1C ZINC000072252833 191087886 /nfs/dbraw/zinc/08/78/86/191087886.db2.gz URRXXHQJKBPABO-UHFFFAOYSA-N 1 0 304.438 1.605 50 0 DDAARO O=S(=O)(c1ccc2c(c1)CCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277703 191097809 /nfs/dbraw/zinc/09/78/09/191097809.db2.gz ZRDCQIDYANXGQW-CYBMUJFWSA-N 1 0 308.403 1.090 50 0 DDAARO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000253393894 186303836 /nfs/dbraw/zinc/30/38/36/186303836.db2.gz PWCCMRLMBHVAFT-INIZCTEOSA-N 1 0 311.401 1.519 50 0 DDAARO O=C(NCc1ccco1)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000075109019 353347531 /nfs/dbraw/zinc/34/75/31/353347531.db2.gz RTVRTWRVBKMRMC-CQSZACIVSA-N 1 0 320.389 1.561 50 0 DDAARO CCN(CC)c1ncc(C[NH2+]C[C@H]2CCc3nncn3C2)s1 ZINC000075605605 353370786 /nfs/dbraw/zinc/37/07/86/353370786.db2.gz GTBGQWWXMLLZIM-GFCCVEGCSA-N 1 0 320.466 1.933 50 0 DDAARO O=C(Cc1cccc(F)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000075606109 353370955 /nfs/dbraw/zinc/37/09/55/353370955.db2.gz QTMVHWMNNYTQPI-CVEARBPZSA-N 1 0 306.381 1.426 50 0 DDAARO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000078788714 353532719 /nfs/dbraw/zinc/53/27/19/353532719.db2.gz VXUKCDCMUKFTQK-JKSUJKDBSA-N 1 0 304.390 1.366 50 0 DDAARO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[N@H+](Cc3ccno3)C2)C1=O ZINC000089869803 353781350 /nfs/dbraw/zinc/78/13/50/353781350.db2.gz WXLFNFUNEMPEAZ-BLLLJJGKSA-N 1 0 320.393 1.606 50 0 DDAARO O=C(c1n[nH]c2c1CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000097212569 353917998 /nfs/dbraw/zinc/91/79/98/353917998.db2.gz MVCFDPNLCLSTQS-UHFFFAOYSA-N 1 0 302.422 1.989 50 0 DDAARO COc1ccc([C@H]2[C@@H](CNC(=O)C(C)(C)O)CCC[N@@H+]2C)cc1 ZINC000225432993 354317716 /nfs/dbraw/zinc/31/77/16/354317716.db2.gz SPPYYRYQOZAFND-ZBFHGGJFSA-N 1 0 320.433 1.965 50 0 DDAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CC[C@H]1CCCO1 ZINC000249269149 354374177 /nfs/dbraw/zinc/37/41/77/354374177.db2.gz ZXFBOJQCSICIKO-RBSFLKMASA-N 1 0 318.483 1.595 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1C ZINC000253370646 354386686 /nfs/dbraw/zinc/38/66/86/354386686.db2.gz UGLLIASJHJETDQ-JHNDHUHGSA-N 1 0 317.433 1.984 50 0 DDAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)CC1 ZINC000299754162 354456855 /nfs/dbraw/zinc/45/68/55/354456855.db2.gz JDLIAVQVSDKOCL-CRAIPNDOSA-N 1 0 323.481 1.288 50 0 DDAARO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(OC)c1OC ZINC000004715390 181141693 /nfs/dbraw/zinc/14/16/93/181141693.db2.gz HBIMZKOBDNMSJR-UHFFFAOYSA-N 1 0 308.378 1.410 50 0 DDAARO CCCc1noc(CN(C)C(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000584890475 354792480 /nfs/dbraw/zinc/79/24/80/354792480.db2.gz RSSQELXZZZYRHG-ZDUSSCGKSA-N 1 0 324.425 1.480 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1n1cnc2ccc(CC)cc2c1=O ZINC000584886137 354789623 /nfs/dbraw/zinc/78/96/23/354789623.db2.gz LYPIDYQOHXTNGP-HOTGVXAUSA-N 1 0 301.390 1.851 50 0 DDAARO CN(Cc1nccn1C)C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584886952 354790453 /nfs/dbraw/zinc/79/04/53/354790453.db2.gz AQRHKXCDHXRHSZ-AWEZNQCLSA-N 1 0 319.453 1.826 50 0 DDAARO CCc1ccc(CN(C)C(=O)NC2CC[NH+](CCO)CC2)nc1 ZINC000584900635 354799840 /nfs/dbraw/zinc/79/98/40/354799840.db2.gz GKHKGCAVZHZIBU-UHFFFAOYSA-N 1 0 320.437 1.242 50 0 DDAARO Cc1nnc(SCC(=O)N2CC[NH+](CC3CCCC3)CC2)o1 ZINC000584901377 354800783 /nfs/dbraw/zinc/80/07/83/354800783.db2.gz JBNWHJWJIPDREQ-UHFFFAOYSA-N 1 0 324.450 1.805 50 0 DDAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1ccncc1Cl ZINC000584904119 354802348 /nfs/dbraw/zinc/80/23/48/354802348.db2.gz NQPFBDTVKKMADU-LBPRGKRZSA-N 1 0 311.813 1.702 50 0 DDAARO CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])Cc1cc[nH]n1 ZINC000585136368 354812679 /nfs/dbraw/zinc/81/26/79/354812679.db2.gz CKGRNSFVLBWGJO-AWEZNQCLSA-N 1 0 322.796 1.470 50 0 DDAARO O=C(NC[C@@H]1CCC[NH2+]1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000585136711 354812790 /nfs/dbraw/zinc/81/27/90/354812790.db2.gz QDOWAOOLUPVJPV-QWHCGFSZSA-N 1 0 316.323 1.477 50 0 DDAARO CCCn1c2ccccc2n(CC)/c1=[NH+]/CC1(CO)COC1 ZINC000585137174 354812944 /nfs/dbraw/zinc/81/29/44/354812944.db2.gz LEDFAJNAWWPLCH-VLGSPTGOSA-N 1 0 303.406 1.782 50 0 DDAARO C[C@@H]1C[C@@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140910 354814642 /nfs/dbraw/zinc/81/46/42/354814642.db2.gz LEKZJCFTINEGJU-OCCSQVGLSA-N 1 0 322.453 1.948 50 0 DDAARO Cc1cnccc1C(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000584891141 354793592 /nfs/dbraw/zinc/79/35/92/354793592.db2.gz KDMVRQMCZFTXHW-HNNXBMFYSA-N 1 0 303.406 1.309 50 0 DDAARO C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000073716974 191345967 /nfs/dbraw/zinc/34/59/67/191345967.db2.gz KKDUKMPBLNMEDL-WBMJQRKESA-N 1 0 307.394 1.271 50 0 DDAARO CN(Cc1cccc(F)c1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237116861 202157694 /nfs/dbraw/zinc/15/76/94/202157694.db2.gz QJEIPZKPRGTQOS-UHFFFAOYSA-N 1 0 317.368 1.614 50 0 DDAARO COc1ccccc1[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1noc(C)n1 ZINC000237224784 202196176 /nfs/dbraw/zinc/19/61/76/202196176.db2.gz GIMLIXNWXWQGRN-BXUZGUMPSA-N 1 0 316.361 1.202 50 0 DDAARO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc21 ZINC000237581336 202291504 /nfs/dbraw/zinc/29/15/04/202291504.db2.gz RDSKHIBZDUMDFI-LBPRGKRZSA-N 1 0 311.389 1.967 50 0 DDAARO COc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1=O ZINC000604404080 359747621 /nfs/dbraw/zinc/74/76/21/359747621.db2.gz BVZFJPJDVOFUBQ-GXTWGEPZSA-N 1 0 319.405 1.378 50 0 DDAARO C[C@H]1CN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000237719449 202339127 /nfs/dbraw/zinc/33/91/27/202339127.db2.gz AIDNQJLIOLXKCG-LBPRGKRZSA-N 1 0 304.390 1.556 50 0 DDAARO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)on1 ZINC000237728238 202340416 /nfs/dbraw/zinc/34/04/16/202340416.db2.gz KMHHZPOCZFIBAQ-ZIAGYGMSSA-N 1 0 306.410 1.145 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCC[NH2+]CC2)c(Cl)cc1F ZINC000237783242 202353569 /nfs/dbraw/zinc/35/35/69/202353569.db2.gz YOPZACDRVUYVBB-UHFFFAOYSA-N 1 0 306.790 1.772 50 0 DDAARO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000237869501 202374580 /nfs/dbraw/zinc/37/45/80/202374580.db2.gz GPJOJLNGAWIZBF-HIFRSBDPSA-N 1 0 303.406 1.267 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cnc(N)nc1C(F)(F)F ZINC000244594234 202484144 /nfs/dbraw/zinc/48/41/44/202484144.db2.gz DIXDJLGUULKGSY-UHFFFAOYSA-N 1 0 305.304 1.149 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000252572456 296069146 /nfs/dbraw/zinc/06/91/46/296069146.db2.gz ZJDMQRIQIFXXDR-ZPFDUUQYSA-N 1 0 306.328 1.433 50 0 DDAARO C[N@@H+]1CCN(C(=O)Cc2ccsc2)C[C@]12CCNC(=O)CC2 ZINC000091289464 193031996 /nfs/dbraw/zinc/03/19/96/193031996.db2.gz XMMUAPGRAYXYKW-INIZCTEOSA-N 1 0 321.446 1.104 50 0 DDAARO CCc1[nH+]c(N)nc(N2CCN(Cc3ccncc3)CC2)c1C ZINC000091586301 193075324 /nfs/dbraw/zinc/07/53/24/193075324.db2.gz WPVXQCHDSGDBGS-UHFFFAOYSA-N 1 0 312.421 1.647 50 0 DDAARO Cc1ncoc1C(=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C(C)C ZINC000091665516 193087844 /nfs/dbraw/zinc/08/78/44/193087844.db2.gz YWTSSDOBYJNZOM-CABCVRRESA-N 1 0 321.421 1.848 50 0 DDAARO CC(C)([NH3+])C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091621544 193080473 /nfs/dbraw/zinc/08/04/73/193080473.db2.gz XXTMIQIXJBDOGH-UHFFFAOYSA-N 1 0 302.378 1.149 50 0 DDAARO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@]1(C)O ZINC000091849276 193117658 /nfs/dbraw/zinc/11/76/58/193117658.db2.gz VFPCLHQRZXEHLF-DYVFJYSZSA-N 1 0 306.406 1.721 50 0 DDAARO [NH3+][C@H]1CCN(c2ncncc2-c2nc(-c3ccsc3)no2)C1 ZINC000263615732 203487051 /nfs/dbraw/zinc/48/70/51/203487051.db2.gz DXGGXDQLKFIVKG-JTQLQIEISA-N 1 0 314.374 1.793 50 0 DDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]CC1CC1 ZINC000015074961 181987339 /nfs/dbraw/zinc/98/73/39/181987339.db2.gz IDKIBJPOBMYXBK-KRWDZBQOSA-N 1 0 306.381 1.679 50 0 DDAARO CCOc1cccc(OCCOCCN2CC[NH+](C)CC2)c1 ZINC000020118072 182188256 /nfs/dbraw/zinc/18/82/56/182188256.db2.gz LRFHMLWOJBSXOT-UHFFFAOYSA-N 1 0 308.422 1.728 50 0 DDAARO CC[C@@H](CO)[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872769 182250545 /nfs/dbraw/zinc/25/05/45/182250545.db2.gz JVMIOBJQEFEBPJ-ZDUSSCGKSA-N 1 0 302.374 1.564 50 0 DDAARO CCCCOC[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000023118553 182348870 /nfs/dbraw/zinc/34/88/70/182348870.db2.gz OMWQAYKNWBDGGU-MRXNPFEDSA-N 1 0 322.449 1.995 50 0 DDAARO CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000040105110 183035605 /nfs/dbraw/zinc/03/56/05/183035605.db2.gz KEWJTKWMUSERIT-UHFFFAOYSA-N 1 0 318.389 1.975 50 0 DDAARO Cc1cc(C)n(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000040498961 183083011 /nfs/dbraw/zinc/08/30/11/183083011.db2.gz UIIWGAHKHGYVFY-CQSZACIVSA-N 1 0 306.435 1.981 50 0 DDAARO CC(=O)Nc1nc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000040534695 183094977 /nfs/dbraw/zinc/09/49/77/183094977.db2.gz YKRXSQDYEOBGQI-LLVKDONJSA-N 1 0 324.450 1.953 50 0 DDAARO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000040554314 183101090 /nfs/dbraw/zinc/10/10/90/183101090.db2.gz SMMXQMRNZHMYPA-CYBMUJFWSA-N 1 0 303.341 1.165 50 0 DDAARO COc1cc(Br)cc(C[NH2+]C[C@@H](C)O)c1OC ZINC000040743880 183127640 /nfs/dbraw/zinc/12/76/40/183127640.db2.gz RDHGWQDDQVCPFI-MRVPVSSYSA-N 1 0 304.184 1.937 50 0 DDAARO CCc1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000042003087 183228838 /nfs/dbraw/zinc/22/88/38/183228838.db2.gz QMROEANNTDADRJ-UHFFFAOYSA-N 1 0 303.450 1.545 50 0 DDAARO Cc1noc(C)c1CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000042098739 183232861 /nfs/dbraw/zinc/23/28/61/183232861.db2.gz KNDGZBKLESQTIP-UHFFFAOYSA-N 1 0 302.382 1.294 50 0 DDAARO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000043303942 183353449 /nfs/dbraw/zinc/35/34/49/183353449.db2.gz FNNGTHKJYARVKK-HNNXBMFYSA-N 1 0 301.434 1.597 50 0 DDAARO COc1ccccc1COC[C@H](O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000106049650 194182470 /nfs/dbraw/zinc/18/24/70/194182470.db2.gz NQFPKWRUQLEPMD-SQWLQELKSA-N 1 0 309.406 1.682 50 0 DDAARO NC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057136900 184028085 /nfs/dbraw/zinc/02/80/85/184028085.db2.gz MCJGLAKBYQBTTL-MRXNPFEDSA-N 1 0 315.417 1.375 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(N2CCNC2=O)c1 ZINC000057554273 184041946 /nfs/dbraw/zinc/04/19/46/184041946.db2.gz VFSLTFZGRMITSB-CYBMUJFWSA-N 1 0 314.389 1.183 50 0 DDAARO CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000058041034 184070432 /nfs/dbraw/zinc/07/04/32/184070432.db2.gz MVONCMXBKQOXNX-LBPRGKRZSA-N 1 0 311.426 1.502 50 0 DDAARO NC(=O)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000057958504 184063854 /nfs/dbraw/zinc/06/38/54/184063854.db2.gz CVHARKYIQWCMOP-VXGBXAGGSA-N 1 0 301.312 1.439 50 0 DDAARO COc1ccc(C[NH2+][C@@H](C(=O)NC(N)=O)C(C)C)cc1OC ZINC000058121848 184077255 /nfs/dbraw/zinc/07/72/55/184077255.db2.gz LVITWPBMWMIAOC-CYBMUJFWSA-N 1 0 309.366 1.013 50 0 DDAARO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000058377641 184109982 /nfs/dbraw/zinc/10/99/82/184109982.db2.gz LIPMWMDTQYPHKB-INIZCTEOSA-N 1 0 315.417 1.549 50 0 DDAARO COc1c(C[NH2+]C[C@@H]2COc3ccccc3O2)c(C)nn1C ZINC000058305255 184103301 /nfs/dbraw/zinc/10/33/01/184103301.db2.gz UAJVKIWYCYIQDS-GFCCVEGCSA-N 1 0 303.362 1.667 50 0 DDAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)[NH+](C)C)cc1 ZINC000065415391 184340546 /nfs/dbraw/zinc/34/05/46/184340546.db2.gz HONXRQPGBBYOFW-IUODEOHRSA-N 1 0 317.393 1.267 50 0 DDAARO CC(C)[C@H](Cn1ccnc1)[NH2+]CC(=O)NCc1ccccc1F ZINC000065469398 184350540 /nfs/dbraw/zinc/35/05/40/184350540.db2.gz BXGZZQLKQHSFNO-INIZCTEOSA-N 1 0 318.396 1.953 50 0 DDAARO CCC[NH+]1CCC(CC(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)CC1 ZINC000065525883 184359668 /nfs/dbraw/zinc/35/96/68/184359668.db2.gz YCOLLNXDJOLIRU-HOTGVXAUSA-N 1 0 312.454 1.495 50 0 DDAARO CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C[C@H]1CCOC1 ZINC000065610149 184373229 /nfs/dbraw/zinc/37/32/29/184373229.db2.gz MTSCAVWAZLFWGV-GFCCVEGCSA-N 1 0 316.423 1.388 50 0 DDAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000067675241 184477757 /nfs/dbraw/zinc/47/77/57/184477757.db2.gz ZHIFPQXVSKLEBY-CQSZACIVSA-N 1 0 316.405 1.687 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(F)cc3)nn2)C[NH2+]1 ZINC000067712833 184481088 /nfs/dbraw/zinc/48/10/88/184481088.db2.gz HRHOZLNHXHRLEO-STQMWFEESA-N 1 0 303.341 1.123 50 0 DDAARO C[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)[C@H]1C[NH3+] ZINC000408519182 296399061 /nfs/dbraw/zinc/39/90/61/296399061.db2.gz OQYNGDLGMMVOQN-OCCSQVGLSA-N 1 0 319.430 1.983 50 0 DDAARO CCS[C@@H]1CCCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343489218 257237215 /nfs/dbraw/zinc/23/72/15/257237215.db2.gz LAPSIZHXLYVLBV-HUUCEWRRSA-N 1 0 311.495 1.511 50 0 DDAARO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000297402032 257237275 /nfs/dbraw/zinc/23/72/75/257237275.db2.gz PLVAWTWSVLDLLT-XUWXXGDYSA-N 1 0 300.402 1.924 50 0 DDAARO C[C@@H]1CN(Cc2nccn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376479 257260131 /nfs/dbraw/zinc/26/01/31/257260131.db2.gz MBCIVUBMTPEMLS-NVXWUHKLSA-N 1 0 314.433 1.660 50 0 DDAARO CC(C)C(=O)NCCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000071857167 184871203 /nfs/dbraw/zinc/87/12/03/184871203.db2.gz XJQYNTBPTKINEJ-AWEZNQCLSA-N 1 0 312.458 1.178 50 0 DDAARO C/C1=N/CCC[NH+](CCO)CCC/N=C(/C)c2cccc1n2 ZINC000068605034 406655090 /nfs/dbraw/zinc/65/50/90/406655090.db2.gz NJPOFKAQKVZZJY-JSAVKQRWSA-N 1 0 302.422 1.788 50 0 DDAARO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1nccs1 ZINC000069029219 406678140 /nfs/dbraw/zinc/67/81/40/406678140.db2.gz XAGWJUGBLQMVAX-UHFFFAOYSA-N 1 0 324.450 1.126 50 0 DDAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)NC(N)=O)cc1OC ZINC000069324258 406695643 /nfs/dbraw/zinc/69/56/43/406695643.db2.gz GOQHIOHEPPPDCC-LBPRGKRZSA-N 1 0 321.377 1.426 50 0 DDAARO CN1CCO[C@H](C[NH2+]Cc2c(Cl)nc3sccn23)C1 ZINC000069351982 406700905 /nfs/dbraw/zinc/70/09/05/406700905.db2.gz WEUPADDCANRTPH-SECBINFHSA-N 1 0 300.815 1.469 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000069599364 406743958 /nfs/dbraw/zinc/74/39/58/406743958.db2.gz FQFITCTXUGENNL-CYBMUJFWSA-N 1 0 324.446 1.990 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000069626858 406745349 /nfs/dbraw/zinc/74/53/49/406745349.db2.gz ZGOJIMWCUVWORB-OAHLLOKOSA-N 1 0 320.437 1.045 50 0 DDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2ccccc2n1 ZINC000069697992 406756654 /nfs/dbraw/zinc/75/66/54/406756654.db2.gz CGOGKBGXZMHEPN-HNNXBMFYSA-N 1 0 300.406 1.820 50 0 DDAARO CC[NH+](CC)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000003036993 406712064 /nfs/dbraw/zinc/71/20/64/406712064.db2.gz MVHOJIGDHIYXSJ-CQSZACIVSA-N 1 0 321.446 1.948 50 0 DDAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1F ZINC000069457188 406718344 /nfs/dbraw/zinc/71/83/44/406718344.db2.gz FJCBFWGAGWDVJW-HNNXBMFYSA-N 1 0 321.396 1.498 50 0 DDAARO O=C(/C=C/c1c(F)cccc1F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000069508559 406726432 /nfs/dbraw/zinc/72/64/32/406726432.db2.gz LKQZURBTNGQIHW-AMRKSYTLSA-N 1 0 322.355 1.957 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O ZINC000069521055 406729557 /nfs/dbraw/zinc/72/95/57/406729557.db2.gz CPHPASNNDDWKOY-KBPBESRZSA-N 1 0 318.421 1.476 50 0 DDAARO COc1ccc(-c2nnc(SCC[NH2+]CCO)n2C)cc1 ZINC000008428518 406787499 /nfs/dbraw/zinc/78/74/99/406787499.db2.gz RNDZZZYCLBPVRP-UHFFFAOYSA-N 1 0 308.407 1.165 50 0 DDAARO COc1cccc(CNC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)c1 ZINC000069926555 406794127 /nfs/dbraw/zinc/79/41/27/406794127.db2.gz FSHWUDGDOXACON-ZIAGYGMSSA-N 1 0 316.405 1.747 50 0 DDAARO C[C@H]([NH2+]CC(=O)NCCc1cccs1)[C@H](C)n1cccn1 ZINC000070003974 406802123 /nfs/dbraw/zinc/80/21/23/406802123.db2.gz BONZODNDWZBYTI-STQMWFEESA-N 1 0 306.435 1.843 50 0 DDAARO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccco2)c1 ZINC000070039483 406806746 /nfs/dbraw/zinc/80/67/46/406806746.db2.gz MXKRLVVZXSPGHB-OAHLLOKOSA-N 1 0 316.405 1.908 50 0 DDAARO COc1ccc([C@@H](CNc2ccc3nnnn3n2)[NH+](C)C)cc1 ZINC000008735507 406795299 /nfs/dbraw/zinc/79/52/99/406795299.db2.gz SBGHPZXQEYYDPJ-CYBMUJFWSA-N 1 0 313.365 1.243 50 0 DDAARO COc1ccc(OC)c(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000070458896 406816579 /nfs/dbraw/zinc/81/65/79/406816579.db2.gz IXULOQZMJNEBQF-UHFFFAOYSA-N 1 0 300.362 1.570 50 0 DDAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000070177212 406812128 /nfs/dbraw/zinc/81/21/28/406812128.db2.gz LRURGLUHXPQSIZ-XJFOESAGSA-N 1 0 303.472 1.268 50 0 DDAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000011814350 406830129 /nfs/dbraw/zinc/83/01/29/406830129.db2.gz QAJQTTHESUNMKN-OAHLLOKOSA-N 1 0 306.406 1.058 50 0 DDAARO CC(C)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000012030334 406834503 /nfs/dbraw/zinc/83/45/03/406834503.db2.gz OXSUQMPMXACJOH-CYBMUJFWSA-N 1 0 307.442 1.625 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(c3ncnc4c3cnn4C)CC2)CCO1 ZINC000071821711 406846312 /nfs/dbraw/zinc/84/63/12/406846312.db2.gz SLDIQQLOKDWIRN-GFCCVEGCSA-N 1 0 316.409 1.053 50 0 DDAARO Cc1cc(N2CCN(c3ccc(Cl)cn3)CC2)nc(N)[nH+]1 ZINC000071833161 406849995 /nfs/dbraw/zinc/84/99/95/406849995.db2.gz LNLBXNGPFWGUMP-UHFFFAOYSA-N 1 0 304.785 1.742 50 0 DDAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000071878799 406859381 /nfs/dbraw/zinc/85/93/81/406859381.db2.gz DXLUNCBTVKHCFO-QGZVFWFLSA-N 1 0 300.406 1.635 50 0 DDAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)nc12 ZINC000071882078 406861050 /nfs/dbraw/zinc/86/10/50/406861050.db2.gz PKVNTACNHIWNBP-UONOGXRCSA-N 1 0 311.389 1.939 50 0 DDAARO COCc1ccccc1CNC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000071897288 406863437 /nfs/dbraw/zinc/86/34/37/406863437.db2.gz JMIABSCXAIFFRM-AWEZNQCLSA-N 1 0 320.433 1.542 50 0 DDAARO C[N@H+](CCCOCCc1ccccc1)CC(=O)N1CCOCC1 ZINC000071951134 406868851 /nfs/dbraw/zinc/86/88/51/406868851.db2.gz PTWVNZBQKJNWQM-UHFFFAOYSA-N 1 0 320.433 1.426 50 0 DDAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014537684 406875690 /nfs/dbraw/zinc/87/56/90/406875690.db2.gz JHURXNRCUDYPDN-UHFFFAOYSA-N 1 0 317.389 1.641 50 0 DDAARO CCCC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000021793610 406889450 /nfs/dbraw/zinc/88/94/50/406889450.db2.gz PUXMOAVWMRYQJI-UHFFFAOYSA-N 1 0 317.437 1.834 50 0 DDAARO CC(=O)N[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC000025329420 406897047 /nfs/dbraw/zinc/89/70/47/406897047.db2.gz NGPIKIUQYUYXQS-ZIAGYGMSSA-N 1 0 311.451 1.628 50 0 DDAARO O=C1NCCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000035255840 406971031 /nfs/dbraw/zinc/97/10/31/406971031.db2.gz MSOFWCXNUSUHKU-GFCCVEGCSA-N 1 0 310.781 1.870 50 0 DDAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)NCC[NH+](C)C)c1C ZINC000035510126 406972932 /nfs/dbraw/zinc/97/29/32/406972932.db2.gz LRNOPVBBLVNJNO-UHFFFAOYSA-N 1 0 309.410 1.419 50 0 DDAARO COC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000029090041 406920543 /nfs/dbraw/zinc/92/05/43/406920543.db2.gz GRHUNLKREAAAOM-UHFFFAOYSA-N 1 0 302.374 1.830 50 0 DDAARO CC[NH+]1CCC(NC(=O)Cn2cnc3ccsc3c2=O)CC1 ZINC000030028592 406929155 /nfs/dbraw/zinc/92/91/55/406929155.db2.gz OKHHHWQGNJMTJA-UHFFFAOYSA-N 1 0 320.418 1.059 50 0 DDAARO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000030656134 406933147 /nfs/dbraw/zinc/93/31/47/406933147.db2.gz WPPXEHYSUMKANH-UHFFFAOYSA-N 1 0 302.827 1.854 50 0 DDAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000030900453 406934964 /nfs/dbraw/zinc/93/49/64/406934964.db2.gz MCOZJODLXSDRBX-UHFFFAOYSA-N 1 0 315.421 1.558 50 0 DDAARO Nc1nc2nc[nH]c2c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000031811468 406942174 /nfs/dbraw/zinc/94/21/74/406942174.db2.gz DWQKGLQZTMRDBJ-UHFFFAOYSA-N 1 0 309.377 1.257 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)CNc2c(C)cccc2C)CC1 ZINC000076041548 406950360 /nfs/dbraw/zinc/95/03/60/406950360.db2.gz LDVRGJJXOMAEMG-UHFFFAOYSA-N 1 0 319.449 1.896 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccccc2)C1 ZINC000032826268 406954481 /nfs/dbraw/zinc/95/44/81/406954481.db2.gz YDGYOMQJMALAAL-KRWDZBQOSA-N 1 0 319.449 1.885 50 0 DDAARO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000044949486 407034995 /nfs/dbraw/zinc/03/49/95/407034995.db2.gz KQLOVTLSRISYLT-UHFFFAOYSA-N 1 0 306.410 1.764 50 0 DDAARO COc1ncccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044968846 407036333 /nfs/dbraw/zinc/03/63/33/407036333.db2.gz ODZLFEOZNVNVRD-ZIAGYGMSSA-N 1 0 304.394 1.516 50 0 DDAARO CC[C@@H](CN1C(=O)N[C@H](C)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000044980686 407037881 /nfs/dbraw/zinc/03/78/81/407037881.db2.gz NQAWJRIAPDPNLO-DOMZBBRYSA-N 1 0 301.390 1.764 50 0 DDAARO Cc1nc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)co1 ZINC000077322520 406984560 /nfs/dbraw/zinc/98/45/60/406984560.db2.gz RLABKMAUPAVZFP-AWEZNQCLSA-N 1 0 306.454 1.831 50 0 DDAARO O=C(NCC[NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000077420751 406989787 /nfs/dbraw/zinc/98/97/87/406989787.db2.gz NKLCYBGUNMEVLT-HNNXBMFYSA-N 1 0 319.405 1.129 50 0 DDAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@H]21 ZINC000077440623 406991135 /nfs/dbraw/zinc/99/11/35/406991135.db2.gz RFRRJSLTBDKMCK-XJKSGUPXSA-N 1 0 323.400 1.996 50 0 DDAARO Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000077454867 406991598 /nfs/dbraw/zinc/99/15/98/406991598.db2.gz BIXQGEVPAOFBQJ-CJNGLKHVSA-N 1 0 304.390 1.088 50 0 DDAARO O[C@]1(CNCc2cc(C(F)(F)F)ccc2F)C[NH2+]CCOC1 ZINC000077469727 406992208 /nfs/dbraw/zinc/99/22/08/406992208.db2.gz KMVYLRLWZJBUCJ-ZDUSSCGKSA-N 1 0 322.302 1.285 50 0 DDAARO CCC(CC)[C@H](CNC(=O)c1cc[nH]c(=O)c1)[NH+]1CCOCC1 ZINC000084727394 407093537 /nfs/dbraw/zinc/09/35/37/407093537.db2.gz GLZHLDLTYQNFMQ-HNNXBMFYSA-N 1 0 321.421 1.242 50 0 DDAARO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000048041488 407088060 /nfs/dbraw/zinc/08/80/60/407088060.db2.gz KKBDSOISZJRLHB-SECBINFHSA-N 1 0 313.195 1.765 50 0 DDAARO COC(=O)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050024417 407126381 /nfs/dbraw/zinc/12/63/81/407126381.db2.gz MPDLWQCIWRIPFL-MRXNPFEDSA-N 1 0 318.417 1.968 50 0 DDAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000089937646 407160010 /nfs/dbraw/zinc/16/00/10/407160010.db2.gz 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/nfs/dbraw/zinc/20/83/89/407208389.db2.gz AWFCVBJDUCCDQE-SNVBAGLBSA-N 1 0 301.325 1.437 50 0 DDAARO O=c1cc(C[NH2+]CCSc2c[nH]nn2)[nH]c2ccc(F)cc12 ZINC000095360498 407208804 /nfs/dbraw/zinc/20/88/04/407208804.db2.gz PPOSOJNNHGJJNJ-UHFFFAOYSA-N 1 0 319.365 1.667 50 0 DDAARO O=c1cc(C[NH2+]CCCn2cnnc2)[nH]c2c(F)cccc12 ZINC000095377285 407211129 /nfs/dbraw/zinc/21/11/29/407211129.db2.gz QKVRVSFMIFNZJO-UHFFFAOYSA-N 1 0 301.325 1.439 50 0 DDAARO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)no1 ZINC000095402655 407213672 /nfs/dbraw/zinc/21/36/72/407213672.db2.gz YQZHYKIJGRZGJJ-QWHCGFSZSA-N 1 0 323.441 1.176 50 0 DDAARO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058296102 407219805 /nfs/dbraw/zinc/21/98/05/407219805.db2.gz PBHCWQIBZUJFIH-IRXDYDNUSA-N 1 0 313.449 1.687 50 0 DDAARO CC(C)([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc2c(c1)OCO2 ZINC000058343426 407220822 /nfs/dbraw/zinc/22/08/22/407220822.db2.gz IRBFHBPZYZNRGJ-UHFFFAOYSA-N 1 0 319.361 1.228 50 0 DDAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000095990099 407222152 /nfs/dbraw/zinc/22/21/52/407222152.db2.gz LVBOVTOYZHUZDM-SNVBAGLBSA-N 1 0 318.343 1.960 50 0 DDAARO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000096014186 407224486 /nfs/dbraw/zinc/22/44/86/407224486.db2.gz HZENIVFFFVZVEE-UHFFFAOYSA-N 1 0 315.320 1.470 50 0 DDAARO CCOC(=O)CCCCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096417431 407262220 /nfs/dbraw/zinc/26/22/20/407262220.db2.gz FXELOCLOAYQVGC-UHFFFAOYSA-N 1 0 312.454 1.907 50 0 DDAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCc1ccccc1F ZINC000101683632 407314389 /nfs/dbraw/zinc/31/43/89/407314389.db2.gz POTXEEZQYVUEGF-UHFFFAOYSA-N 1 0 305.353 1.397 50 0 DDAARO COCCOCc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1F ZINC000096427038 407264098 /nfs/dbraw/zinc/26/40/98/407264098.db2.gz WINSFCADMOSUNK-UHFFFAOYSA-N 1 0 324.396 1.813 50 0 DDAARO Cn1ccnc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000096427204 407265232 /nfs/dbraw/zinc/26/52/32/407265232.db2.gz HGTLNPZESMRIPB-UHFFFAOYSA-N 1 0 306.410 1.071 50 0 DDAARO C[C@H](NC(=O)CC1CCOCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000096449735 407268660 /nfs/dbraw/zinc/26/86/60/407268660.db2.gz ZGFUYUUAGLDWLX-HNNXBMFYSA-N 1 0 324.465 1.953 50 0 DDAARO CCS(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000096456144 407269227 /nfs/dbraw/zinc/26/92/27/407269227.db2.gz BVQHGEOPUDOUQI-OKILXGFUSA-N 1 0 318.483 1.547 50 0 DDAARO CN(C)c1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000096483757 407271512 /nfs/dbraw/zinc/27/15/12/407271512.db2.gz UKRXGNBUOFVAIR-ZDUSSCGKSA-N 1 0 304.398 1.245 50 0 DDAARO COc1ccc2c(c1)C[C@H]([NH2+]CC(=O)N1CCOCC1)CC2 ZINC000096493967 407272575 /nfs/dbraw/zinc/27/25/75/407272575.db2.gz WTRHOBGCCXBVTC-OAHLLOKOSA-N 1 0 304.390 1.001 50 0 DDAARO COCC(=O)N[C@@H](C)C1=CCCN(CC[NH+]2CCCCCC2)C1 ZINC000067650738 407278262 /nfs/dbraw/zinc/27/82/62/407278262.db2.gz UWCXUMGYRDXWQB-INIZCTEOSA-N 1 0 323.481 1.646 50 0 DDAARO COc1cccc(OCc2cc(C(=O)NCC[NH+](C)C)[nH]n2)c1 ZINC000067758490 407283616 /nfs/dbraw/zinc/28/36/16/407283616.db2.gz LMNFADNXSYHFFP-UHFFFAOYSA-N 1 0 318.377 1.289 50 0 DDAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCF ZINC000067847245 407287228 /nfs/dbraw/zinc/28/72/28/407287228.db2.gz RFGQGSIYHZMXNB-QGZVFWFLSA-N 1 0 308.397 1.532 50 0 DDAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH2+][C@H](CC)C2)c1C ZINC000067920197 407289981 /nfs/dbraw/zinc/28/99/81/407289981.db2.gz FHXUEQFEPWSDKQ-GFCCVEGCSA-N 1 0 307.394 1.632 50 0 DDAARO Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000067982962 407292730 /nfs/dbraw/zinc/29/27/30/407292730.db2.gz YVOMJLKTLSOKBE-HNNXBMFYSA-N 1 0 317.433 1.684 50 0 DDAARO O=C(CCc1ccc(-c2cccs2)o1)N1CC[NH2+]C[C@H](O)C1 ZINC000097528868 407299080 /nfs/dbraw/zinc/29/90/80/407299080.db2.gz KRYHEEIZATWITO-LBPRGKRZSA-N 1 0 320.414 1.733 50 0 DDAARO O[C@H]1COC[C@@H]1[N@@H+]1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000097602354 407300628 /nfs/dbraw/zinc/30/06/28/407300628.db2.gz IMPXTJUZWHTPIJ-LSXSPUPJSA-N 1 0 320.408 1.606 50 0 DDAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCOC1 ZINC000097680002 407300987 /nfs/dbraw/zinc/30/09/87/407300987.db2.gz PFCXKSAAOIYCJJ-AWEZNQCLSA-N 1 0 304.390 1.509 50 0 DDAARO O=C(Nc1cccc(-n2cncn2)c1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097772928 407302571 /nfs/dbraw/zinc/30/25/71/407302571.db2.gz NVKBXFDIENNAHE-DOMZBBRYSA-N 1 0 312.377 1.483 50 0 DDAARO O=C(Cc1c[nH]c2ccccc2c1=O)C[C@H]1[NH2+]CCC[C@@H]1O ZINC000103688113 407343385 /nfs/dbraw/zinc/34/33/85/407343385.db2.gz QBFRFHWKPNSAKK-LYRGGWFBSA-N 1 0 300.358 1.664 50 0 DDAARO O=C1CCC(=O)N1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000124023733 407346153 /nfs/dbraw/zinc/34/61/53/407346153.db2.gz FOBGALCDFMIKCO-UHFFFAOYSA-N 1 0 321.465 1.723 50 0 DDAARO O=C(NCc1cc(F)ccc1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000107929419 407380994 /nfs/dbraw/zinc/38/09/94/407380994.db2.gz MAFYZLUDDUZVGQ-UHFFFAOYSA-N 1 0 321.331 1.411 50 0 DDAARO [NH3+][C@@H]1CCN(Cc2ccccc2OCCCn2ccnc2)C1 ZINC000215022574 407481205 /nfs/dbraw/zinc/48/12/05/407481205.db2.gz DLIHMNOIYRVEKD-MRXNPFEDSA-N 1 0 300.406 1.885 50 0 DDAARO COc1ccc(F)c(F)c1CN1C[C@H]([NH+](C)C)C[C@H]1CO ZINC000215024955 407481383 /nfs/dbraw/zinc/48/13/83/407481383.db2.gz LQBSUHCQVOFKIA-MNOVXSKESA-N 1 0 300.349 1.470 50 0 DDAARO OC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1nc(C2CC2)no1 ZINC000257186209 407483037 /nfs/dbraw/zinc/48/30/37/407483037.db2.gz KERTYVMONTZHOY-UONOGXRCSA-N 1 0 300.362 1.550 50 0 DDAARO O=C(c1ncccn1)N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257191917 407487588 /nfs/dbraw/zinc/48/75/88/407487588.db2.gz RRDLVBBFJMIMPV-HUUCEWRRSA-N 1 0 309.373 1.218 50 0 DDAARO C[C@@H]1C[NH2+]CCN1Cc1cccc(OCCN2CCOCC2)c1 ZINC000215836833 407490337 /nfs/dbraw/zinc/49/03/37/407490337.db2.gz XESAEHOGBISISR-MRXNPFEDSA-N 1 0 319.449 1.191 50 0 DDAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)cn1 ZINC000216520529 407498065 /nfs/dbraw/zinc/49/80/65/407498065.db2.gz NPMYHHUWFLRLRA-CYBMUJFWSA-N 1 0 317.393 1.091 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000253414496 407442836 /nfs/dbraw/zinc/44/28/36/407442836.db2.gz XQRHHQDULCXCFE-WCQYABFASA-N 1 0 316.323 1.700 50 0 DDAARO CC[NH+](CC)CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000170594089 407444749 /nfs/dbraw/zinc/44/47/49/407444749.db2.gz IQWWNUYSCLNFIY-UHFFFAOYSA-N 1 0 304.369 1.969 50 0 DDAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000265915989 407508778 /nfs/dbraw/zinc/50/87/78/407508778.db2.gz BINZQBSWTJWKGQ-IXDOHACOSA-N 1 0 305.418 1.972 50 0 DDAARO O=C([C@H]1CCC[NH2+]1)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000225475276 407586292 /nfs/dbraw/zinc/58/62/92/407586292.db2.gz NKIDQSSTCQUMHX-SNVBAGLBSA-N 1 0 316.327 1.887 50 0 DDAARO O=C(CCN1CCSC1=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000225495954 407590513 /nfs/dbraw/zinc/59/05/13/407590513.db2.gz BHELXTYHNCQXPS-CYBMUJFWSA-N 1 0 311.451 1.678 50 0 DDAARO CC(C)(C)c1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[nH]c(=O)n1 ZINC000220576702 407542463 /nfs/dbraw/zinc/54/24/63/407542463.db2.gz OMQAQNXHGFZGET-QGZVFWFLSA-N 1 0 318.421 1.283 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000229517275 407666714 /nfs/dbraw/zinc/66/67/14/407666714.db2.gz IXZMVAPZLZASIX-IUODEOHRSA-N 1 0 300.349 1.261 50 0 DDAARO [NH3+][C@@H](CC(=O)N1CCNC[C@H]1c1cccnc1)c1ccccc1 ZINC000261939586 407682233 /nfs/dbraw/zinc/68/22/33/407682233.db2.gz KJMQELYXSMCQLT-IRXDYDNUSA-N 1 0 310.401 1.645 50 0 DDAARO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)Cn1cccn1 ZINC000230212151 407685914 /nfs/dbraw/zinc/68/59/14/407685914.db2.gz QQBSKWINMSEOPP-OWCLPIDISA-N 1 0 319.453 1.645 50 0 DDAARO CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)[C@H]1CC[NH2+]C1 ZINC000179094556 407721359 /nfs/dbraw/zinc/72/13/59/407721359.db2.gz VAJOJXSMRILMMO-NSHDSACASA-N 1 0 322.796 1.304 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc2ccccn2c1=O ZINC000229356465 407661417 /nfs/dbraw/zinc/66/14/17/407661417.db2.gz CSWDGTKAKLVBIM-KBPBESRZSA-N 1 0 312.373 1.051 50 0 DDAARO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000131768212 407752503 /nfs/dbraw/zinc/75/25/03/407752503.db2.gz OZSGXNGZRWHSOA-WPRPVWTQSA-N 1 0 306.790 1.979 50 0 DDAARO C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000179181775 407746839 /nfs/dbraw/zinc/74/68/39/407746839.db2.gz SMKDEMQJJPLCJU-QMMMGPOBSA-N 1 0 323.194 1.759 50 0 DDAARO CCc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000172162221 407810939 /nfs/dbraw/zinc/81/09/39/407810939.db2.gz AHACWFWXKOGGHB-UHFFFAOYSA-N 1 0 305.426 1.978 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)CN[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000237981439 407860354 /nfs/dbraw/zinc/86/03/54/407860354.db2.gz RKTXUMCTXTZRQR-DGCLKSJQSA-N 1 0 301.312 1.439 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(CN3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000153685931 407878425 /nfs/dbraw/zinc/87/84/25/407878425.db2.gz ZMJDDMGQZPMIBN-GASCZTMLSA-N 1 0 317.433 1.341 50 0 DDAARO OC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCOCC1 ZINC000238142190 407895799 /nfs/dbraw/zinc/89/57/99/407895799.db2.gz DICXPACDTLNZHI-QGZVFWFLSA-N 1 0 321.417 1.876 50 0 DDAARO COC(OC)c1ccc(F)c(C[NH2+]CCCS(C)(=O)=O)c1 ZINC000241126100 407908933 /nfs/dbraw/zinc/90/89/33/407908933.db2.gz JJMYDOSDQAOBDA-UHFFFAOYSA-N 1 0 319.398 1.641 50 0 DDAARO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cccc2c1OCCCO2 ZINC000134589905 407909270 /nfs/dbraw/zinc/90/92/70/407909270.db2.gz YGPFYCARARLQOL-GFCCVEGCSA-N 1 0 313.419 1.761 50 0 DDAARO C[C@@H]1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000153829034 407910446 /nfs/dbraw/zinc/91/04/46/407910446.db2.gz KVCUTVPUXKTWAY-KBMXLJTQSA-N 1 0 317.433 1.514 50 0 DDAARO O=C(NCCc1c[nH]cn1)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000244986259 407945553 /nfs/dbraw/zinc/94/55/53/407945553.db2.gz JMZLYFMCZUJZLD-CQSZACIVSA-N 1 0 316.361 1.335 50 0 DDAARO Cc1ncn(CC(=O)N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000244734671 407934668 /nfs/dbraw/zinc/93/46/68/407934668.db2.gz NJQZCSQPORJEML-MRXNPFEDSA-N 1 0 306.454 1.936 50 0 DDAARO C[NH+](C)C[C@H]1COCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000244742060 407935541 /nfs/dbraw/zinc/93/55/41/407935541.db2.gz OBFRZSZUDIMSRI-CYBMUJFWSA-N 1 0 310.825 1.919 50 0 DDAARO CC[C@@H](CO)[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000154516452 408044550 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ZINC000296841707 409660999 /nfs/dbraw/zinc/66/09/99/409660999.db2.gz FOTASABRYUUFGS-UHFFFAOYSA-N 1 0 301.390 1.532 50 0 DDAARO NC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000332392238 410121107 /nfs/dbraw/zinc/12/11/07/410121107.db2.gz MMLSBILWEUEGRX-CQSZACIVSA-N 1 0 303.406 1.334 50 0 DDAARO Cc1cccc2[nH]c(CCNC(=O)[C@H]3CCC[NH2+]CC3)nc21 ZINC000299755093 410603893 /nfs/dbraw/zinc/60/38/93/410603893.db2.gz BISYIYAWVAFDFA-ZDUSSCGKSA-N 1 0 300.406 1.920 50 0 DDAARO CC[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ncccc1C ZINC000299759111 410607429 /nfs/dbraw/zinc/60/74/29/410607429.db2.gz OCHXWYGPVZDIPN-OAHLLOKOSA-N 1 0 304.438 1.595 50 0 DDAARO O=C(NCCC[N@H+]1CCC[C@H](CO)C1)c1cc(O)ccc1F ZINC000299757954 410608601 /nfs/dbraw/zinc/60/86/01/410608601.db2.gz ITAPHMOEZCILBC-LBPRGKRZSA-N 1 0 310.369 1.356 50 0 DDAARO COCCn1ccnc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299767731 410613967 /nfs/dbraw/zinc/61/39/67/410613967.db2.gz JHKNHJOVYZZWCH-HLLBOEOZSA-N 1 0 323.437 1.688 50 0 DDAARO CN(CCSc1ccccc1)C(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000299772881 410617695 /nfs/dbraw/zinc/61/76/95/410617695.db2.gz CQEJIFKBUCBUFD-HNNXBMFYSA-N 1 0 321.490 1.873 50 0 DDAARO O=C(NCC1(C[NH+]2CCCC2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000299777898 410621171 /nfs/dbraw/zinc/62/11/71/410621171.db2.gz ORNJCRYDBGELCX-HNNXBMFYSA-N 1 0 306.381 1.851 50 0 DDAARO CC(C)CCn1nc(C(=O)N2CCOCC2)c2c1CC[NH2+]C2 ZINC000299784277 410624830 /nfs/dbraw/zinc/62/48/30/410624830.db2.gz SXRXUPWULWCICE-UHFFFAOYSA-N 1 0 306.410 1.047 50 0 DDAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC2(COC(=O)O2)CC1 ZINC000299786386 410628842 /nfs/dbraw/zinc/62/88/42/410628842.db2.gz XCDMSMUZIFQFTE-CYBMUJFWSA-N 1 0 318.373 1.693 50 0 DDAARO Cc1nc([C@@H](C)NC(=O)CCN2CC[NH+](C)CC2)c(C)s1 ZINC000299795312 410634406 /nfs/dbraw/zinc/63/44/06/410634406.db2.gz LFQNXFYLSAOGBG-LLVKDONJSA-N 1 0 310.467 1.575 50 0 DDAARO CC(=O)c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000299800320 410638658 /nfs/dbraw/zinc/63/86/58/410638658.db2.gz WSQDTDHXNABVSG-HNNXBMFYSA-N 1 0 318.417 1.713 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)C(C)C)C1 ZINC000134154324 196366257 /nfs/dbraw/zinc/36/62/57/196366257.db2.gz GSMNGHXOMUADTJ-ZDUSSCGKSA-N 1 0 324.446 1.693 50 0 DDAARO C[C@@H]1CCCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)[C@@H]1C[NH3+] ZINC000156864261 221674070 /nfs/dbraw/zinc/67/40/70/221674070.db2.gz AJQRJQDUHORGFA-MWLCHTKSSA-N 1 0 320.422 1.057 50 0 DDAARO Cc1cc(=O)n2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)sc2n1 ZINC000044933855 418433372 /nfs/dbraw/zinc/43/33/72/418433372.db2.gz FBZHAZLYPBTJKR-JTQLQIEISA-N 1 0 305.407 1.356 50 0 DDAARO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[N@H+](C)C[C@H]1C ZINC000107580975 418498680 /nfs/dbraw/zinc/49/86/80/418498680.db2.gz WQYFWPULVQQMGQ-IIAWOOMASA-N 1 0 317.433 1.651 50 0 DDAARO COc1ccccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000241435130 222212389 /nfs/dbraw/zinc/21/23/89/222212389.db2.gz NKWGINGTZLPXAF-TZMCWYRMSA-N 1 0 312.435 1.455 50 0 DDAARO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 ZINC000253369853 222249360 /nfs/dbraw/zinc/24/93/60/222249360.db2.gz IWMWDJMDAIADPJ-DABQJJPHSA-N 1 0 304.456 1.252 50 0 DDAARO C[C@H]1NC(=O)N(CC[N@H+](C)CCCOc2ccccc2)C1=O ZINC000408520208 418808045 /nfs/dbraw/zinc/80/80/45/418808045.db2.gz BGKQAKDKFMSFKI-CYBMUJFWSA-N 1 0 305.378 1.328 50 0 DDAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2nccc3ccccc32)C1 ZINC000426435485 419466458 /nfs/dbraw/zinc/46/64/58/419466458.db2.gz ZTPDOVKXBWDOPS-CQSZACIVSA-N 1 0 313.401 1.885 50 0 DDAARO Cc1cc(C[C@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])[nH]n1 ZINC000426739761 419541564 /nfs/dbraw/zinc/54/15/64/419541564.db2.gz MAXXMBCXWWPHDE-JTQLQIEISA-N 1 0 320.368 1.556 50 0 DDAARO Cc1ccnc(-c2cccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)c2)c1 ZINC000426746369 419543677 /nfs/dbraw/zinc/54/36/77/419543677.db2.gz XYTOMMXBTLUENV-GOSISDBHSA-N 1 0 311.385 1.511 50 0 DDAARO O=C(Cn1ccnn1)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426549162 419507089 /nfs/dbraw/zinc/50/70/89/419507089.db2.gz LWTIKJWRSVQDHJ-MRXNPFEDSA-N 1 0 313.405 1.307 50 0 DDAARO [NH3+]CC[C@H]1CN(C(=O)NCCc2ccccc2Cl)CCO1 ZINC000426612506 419517434 /nfs/dbraw/zinc/51/74/34/419517434.db2.gz DXRMYMHUANTKHF-ZDUSSCGKSA-N 1 0 311.813 1.642 50 0 DDAARO Nc1ncc(C(=O)N2CCC(CC[NH+]3CCCC3)CC2)s1 ZINC000584886470 422302674 /nfs/dbraw/zinc/30/26/74/422302674.db2.gz HWWWHEPAFKGJIS-UHFFFAOYSA-N 1 0 308.451 2.063 50 0 DDAARO Cn1cncc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000585113877 422305808 /nfs/dbraw/zinc/30/58/08/422305808.db2.gz LTFSHFNXLNBWHB-ZDUSSCGKSA-N 1 0 306.410 1.136 50 0 DDAARO CCC/C=C\[C@@H](O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000606445641 422459806 /nfs/dbraw/zinc/45/98/06/422459806.db2.gz YJMNGPGMHNSOKJ-ATEGUMQPSA-N 1 0 310.438 1.274 50 0 DDAARO CC(C)(C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 ZINC000639034518 423261861 /nfs/dbraw/zinc/26/18/61/423261861.db2.gz IFMSHHGXVYXHJA-UHFFFAOYSA-N 1 0 304.394 1.469 50 0 DDAARO COc1ccnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000025499921 274165299 /nfs/dbraw/zinc/16/52/99/274165299.db2.gz LDSZPLCJNJCMLC-HNNXBMFYSA-N 1 0 314.389 1.316 50 0 DDAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000097199523 276702341 /nfs/dbraw/zinc/70/23/41/276702341.db2.gz WYTCDIXKESNDIZ-LBPRGKRZSA-N 1 0 302.426 1.966 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(N)=O)c2cccs2)C1 ZINC000133701146 277299356 /nfs/dbraw/zinc/29/93/56/277299356.db2.gz PMTHQRFOFBYDLR-QWRGUYRKSA-N 1 0 310.423 1.058 50 0 DDAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)cc1 ZINC000024302310 277427603 /nfs/dbraw/zinc/42/76/03/277427603.db2.gz HZAKKTBWHCKZSU-CQSZACIVSA-N 1 0 321.340 1.692 50 0 DDAARO COc1c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C ZINC000058421656 277787700 /nfs/dbraw/zinc/78/77/00/277787700.db2.gz JFIGGNATUHKAFA-NSHDSACASA-N 1 0 315.439 1.076 50 0 DDAARO CC(=O)NC1(NC(C)=O)CC[N@@H+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000000185341 278085917 /nfs/dbraw/zinc/08/59/17/278085917.db2.gz MMURFEHJWKZFRH-MLGOLLRUSA-N 1 0 303.406 1.668 50 0 DDAARO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC1CCCCC1 ZINC000044715305 278139017 /nfs/dbraw/zinc/13/90/17/278139017.db2.gz CKZKLDKBIQAWGR-UKRRQHHQSA-N 1 0 309.454 1.611 50 0 DDAARO Cc1ccc2c(c1)c(C(=O)N1CC[C@](O)(C[NH+](C)C)C1)nn2C ZINC000072138882 281130236 /nfs/dbraw/zinc/13/02/36/281130236.db2.gz SQQUROJNOACIMG-KRWDZBQOSA-N 1 0 316.405 1.020 50 0 DDAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCCCC1 ZINC000069349383 289019413 /nfs/dbraw/zinc/01/94/13/289019413.db2.gz GNNQGVXSOBNQAJ-OAHLLOKOSA-N 1 0 324.469 1.561 50 0 DDAARO COc1ccc([C@H](CC(=O)N2CCC[C@H]([NH3+])C2)NC(C)=O)cc1 ZINC000195113829 295239721 /nfs/dbraw/zinc/23/97/21/295239721.db2.gz MZPRJDIWMNGUBY-HOCLYGCPSA-N 1 0 319.405 1.212 50 0 DDAARO NC(=O)NC(=O)C[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000096408699 303269394 /nfs/dbraw/zinc/26/93/94/303269394.db2.gz RWSVBVGBZLULKG-UHFFFAOYSA-N 1 0 309.797 1.789 50 0 DDAARO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000097371316 337382626 /nfs/dbraw/zinc/38/26/26/337382626.db2.gz YDPZPRYUPWDPJF-WFASDCNBSA-N 1 0 314.426 1.770 50 0 DDAARO C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)[C@H](CO)C(C)(C)C ZINC000084169094 483990946 /nfs/dbraw/zinc/99/09/46/483990946.db2.gz BEXZGVJFFMIEET-MRXNPFEDSA-N 1 0 317.433 1.962 50 0 DDAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cnc3cc(C)ccn23)[C@H](C)C1 ZINC000084248035 483992682 /nfs/dbraw/zinc/99/26/82/483992682.db2.gz LKUVJCILIVGDEE-CZUORRHYSA-N 1 0 300.406 1.989 50 0 DDAARO CN(C)c1ncc(C[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)s1 ZINC000084317571 483993251 /nfs/dbraw/zinc/99/32/51/483993251.db2.gz ZFQWCFXQCPNKQA-FZMZJTMJSA-N 1 0 321.450 1.810 50 0 DDAARO C[N@H+](CC(=O)NCC(F)(F)F)C1CCC2(CC1)OCCO2 ZINC000091853767 484014441 /nfs/dbraw/zinc/01/44/41/484014441.db2.gz DRHPEQOZVWIHDD-UHFFFAOYSA-N 1 0 310.316 1.282 50 0 DDAARO c1ccc2c(c1)nc1nc(NCCCN3CCOCC3)[nH+][nH]c2-1 ZINC000670433151 484826379 /nfs/dbraw/zinc/82/63/79/484826379.db2.gz IMQAYPGLRAIAJP-UHFFFAOYSA-N 1 0 312.377 1.640 50 0 DDAARO CCO[C@H]1CN(C)C[C@@H]1n1cnc2cccc(Cl)c2c1=O ZINC000670441785 484831488 /nfs/dbraw/zinc/83/14/88/484831488.db2.gz VHZVAEIFKKXOMO-STQMWFEESA-N 1 0 307.781 1.942 50 0 DDAARO O=C(N[C@@H]1CCc2c[nH]nc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000670444005 484832979 /nfs/dbraw/zinc/83/29/79/484832979.db2.gz YWFMSRAHZXTFHZ-CQSZACIVSA-N 1 0 302.422 1.792 50 0 DDAARO CCn1ccc(CN2CCCO[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000670443523 484833361 /nfs/dbraw/zinc/83/33/61/484833361.db2.gz KXELRJSKMDFBKS-KRWDZBQOSA-N 1 0 306.454 1.980 50 0 DDAARO CCC[C@H]1CN(C(=O)CSC)C[C@@H]1Nc1cc(C)[nH+]c(N)n1 ZINC000091255071 521214849 /nfs/dbraw/zinc/21/48/49/521214849.db2.gz QFSDLVVXRDOYLD-RYUDHWBXSA-N 1 0 323.466 1.769 50 0 DDAARO [NH3+]CCOc1cccc(C(=O)NCc2ncc(Cl)cn2)c1 ZINC000426544912 534637905 /nfs/dbraw/zinc/63/79/05/534637905.db2.gz PCFOXGKKHWDKJV-UHFFFAOYSA-N 1 0 306.753 1.398 50 0 DDAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158177648 527535663 /nfs/dbraw/zinc/53/56/63/527535663.db2.gz ZXGWIGAKTHRVHC-LBPRGKRZSA-N 1 0 319.796 1.792 50 0 DDAARO 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CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000026934749 406906743 /nfs/dbraw/zinc/90/67/43/406906743.db2.gz PBBJTERTVIUBMV-OAHLLOKOSA-N 1 0 304.390 1.655 50 0 DDAARO Cc1cc(C)cc(N2C[C@H](C(=O)NCC[NH+](C)C)CC2=O)c1 ZINC000034917990 406965978 /nfs/dbraw/zinc/96/59/78/406965978.db2.gz XMAWWFZRJLCNAG-CQSZACIVSA-N 1 0 303.406 1.334 50 0 DDAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCOCCO)cc1 ZINC000028426861 406917308 /nfs/dbraw/zinc/91/73/08/406917308.db2.gz GRWOHYKZKIOKHS-UHFFFAOYSA-N 1 0 324.421 1.079 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000075092531 406921994 /nfs/dbraw/zinc/92/19/94/406921994.db2.gz JCWYBIXKFCILIB-DGCLKSJQSA-N 1 0 323.359 1.570 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cn1 ZINC000075130738 406923092 /nfs/dbraw/zinc/92/30/92/406923092.db2.gz SXIAAWLRRVPGNY-CABCVRRESA-N 1 0 302.422 1.846 50 0 DDAARO C[N@H+](CCn1cccn1)C[C@H](c1cccs1)N1CCOCC1 ZINC000075603869 406936962 /nfs/dbraw/zinc/93/69/62/406936962.db2.gz KHJMNHPFTAZGRP-OAHLLOKOSA-N 1 0 320.462 1.950 50 0 DDAARO O=C1NC(c2ccc(OC(F)(F)F)cc2)=NC12CC[NH2+]CC2 ZINC000075761030 406940923 /nfs/dbraw/zinc/94/09/23/406940923.db2.gz SWHIVSUFNKSRKF-UHFFFAOYSA-N 1 0 313.279 1.584 50 0 DDAARO CNC(=O)NC(=O)CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032754377 406952250 /nfs/dbraw/zinc/95/22/50/406952250.db2.gz NAKBHKJRFNUJPB-UHFFFAOYSA-N 1 0 303.362 1.327 50 0 DDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H](O)C1 ZINC000043137120 407017284 /nfs/dbraw/zinc/01/72/84/407017284.db2.gz ZZYAFOQEFIEPMF-LSDHHAIUSA-N 1 0 321.421 1.973 50 0 DDAARO Cn1cc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000044888975 407030504 /nfs/dbraw/zinc/03/05/04/407030504.db2.gz GEILKRJXRAVBNI-IWAYRVGRSA-N 1 0 310.401 1.824 50 0 DDAARO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)Cn1cccn1 ZINC000044974907 407037604 /nfs/dbraw/zinc/03/76/04/407037604.db2.gz TUQXMFFKAMUACU-JTQLQIEISA-N 1 0 314.183 1.732 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000045141666 407040223 /nfs/dbraw/zinc/04/02/23/407040223.db2.gz JGRPBMWDMFAQSD-CABCVRRESA-N 1 0 317.437 1.294 50 0 DDAARO O=c1[nH]c(NCc2cccc(OC(F)F)c2)nc2c1CC[NH2+]C2 ZINC000077287548 406983354 /nfs/dbraw/zinc/98/33/54/406983354.db2.gz CPMLVYGDQVLKOK-UHFFFAOYSA-N 1 0 322.315 1.629 50 0 DDAARO O[C@]1(CNCc2cccc(OC(F)(F)F)c2)CCC[NH2+]C1 ZINC000077319654 406984535 /nfs/dbraw/zinc/98/45/35/406984535.db2.gz FIWZOKORIJUIAF-CYBMUJFWSA-N 1 0 304.312 1.789 50 0 DDAARO C[C@@H]1C[N@H+](C2CCN(c3nc(C(N)=O)cs3)CC2)C[C@H](C)O1 ZINC000077470053 406992317 /nfs/dbraw/zinc/99/23/17/406992317.db2.gz AYCVCZOGUUTQSZ-PHIMTYICSA-N 1 0 324.450 1.320 50 0 DDAARO CC(C)n1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)cn1 ZINC000077485571 406992761 /nfs/dbraw/zinc/99/27/61/406992761.db2.gz HJAYPMBUWNYUHV-INIZCTEOSA-N 1 0 308.426 1.383 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000048230079 407092648 /nfs/dbraw/zinc/09/26/48/407092648.db2.gz FSQLOMOCCBQSBN-UHFFFAOYSA-N 1 0 307.463 1.604 50 0 DDAARO CCCc1nnsc1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000085468030 407102706 /nfs/dbraw/zinc/10/27/06/407102706.db2.gz DGBKHYKGHLPLOL-UHFFFAOYSA-N 1 0 312.439 1.331 50 0 DDAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000047434198 407073582 /nfs/dbraw/zinc/07/35/82/407073582.db2.gz DXZIROOHHJSFLY-BETUJISGSA-N 1 0 316.405 1.792 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000050242135 407130087 /nfs/dbraw/zinc/13/00/87/407130087.db2.gz UHIZHKKHVBXLSM-MRVPVSSYSA-N 1 0 310.297 1.307 50 0 DDAARO CCC[N@H+](CCO)CC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000053094419 407163306 /nfs/dbraw/zinc/16/33/06/407163306.db2.gz SKWMJJYZVUPXQJ-UHFFFAOYSA-N 1 0 319.405 1.238 50 0 DDAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CCO[C@H](C)C1)c1ccco1 ZINC000054172750 407179019 /nfs/dbraw/zinc/17/90/19/407179019.db2.gz FLMUOLAOCCLDMA-CABCVRRESA-N 1 0 323.437 1.499 50 0 DDAARO CCN(C)c1ccccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000096420230 407263211 /nfs/dbraw/zinc/26/32/11/407263211.db2.gz ISGPNBSTAULRPG-UHFFFAOYSA-N 1 0 320.437 1.721 50 0 DDAARO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000096406582 407260966 /nfs/dbraw/zinc/26/09/66/407260966.db2.gz DLLBTSLQBYHHAW-WBVHZDCISA-N 1 0 320.433 1.965 50 0 DDAARO CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055386319 407201631 /nfs/dbraw/zinc/20/16/31/407201631.db2.gz RSRNYISRHJYHCZ-OAHLLOKOSA-N 1 0 316.405 1.916 50 0 DDAARO C[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)C[NH+]1CCCC1 ZINC000055540211 407204216 /nfs/dbraw/zinc/20/42/16/407204216.db2.gz BQJXHFLMYKPSQA-AWEZNQCLSA-N 1 0 313.405 1.729 50 0 DDAARO O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000055672554 407206253 /nfs/dbraw/zinc/20/62/53/407206253.db2.gz GDTFEEQWPOKKCO-OAHLLOKOSA-N 1 0 313.401 1.667 50 0 DDAARO O=C(NCCN1CCOC1=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095359680 407209399 /nfs/dbraw/zinc/20/93/99/407209399.db2.gz WZIBDFQAOMJXNH-CYBMUJFWSA-N 1 0 321.377 1.060 50 0 DDAARO CC[N@H+](C)CCNC(=O)NCc1ccccc1Cn1cccn1 ZINC000095956112 407217203 /nfs/dbraw/zinc/21/72/03/407217203.db2.gz VJMGEYHHUAULIM-UHFFFAOYSA-N 1 0 315.421 1.682 50 0 DDAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)Nc1ccc(Cl)nc1 ZINC000096152468 407241360 /nfs/dbraw/zinc/24/13/60/407241360.db2.gz OVLQYAVWMSTPLP-LLVKDONJSA-N 1 0 312.801 1.561 50 0 DDAARO O=C(c1ccc(=O)[nH]c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000065452363 407243461 /nfs/dbraw/zinc/24/34/61/407243461.db2.gz UFCSEQGPQSJFHA-AWEZNQCLSA-N 1 0 305.378 1.114 50 0 DDAARO CC(C)[C@@H](C(=O)NC1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000065609671 407245187 /nfs/dbraw/zinc/24/51/87/407245187.db2.gz JQKISAQSRNAKFS-AWEZNQCLSA-N 1 0 305.426 1.148 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccncc3)CC2)CCO1 ZINC000066396117 407249578 /nfs/dbraw/zinc/24/95/78/407249578.db2.gz KUIWKXMRVSHKHH-XYBNCVKDSA-N 1 0 315.417 1.807 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000096427705 407264673 /nfs/dbraw/zinc/26/46/73/407264673.db2.gz RDUREEVPEABNRA-GFCCVEGCSA-N 1 0 312.410 1.897 50 0 DDAARO NC(=O)C1([NH2+]CCn2cc(Br)cn2)CCCCC1 ZINC000096461798 407269819 /nfs/dbraw/zinc/26/98/19/407269819.db2.gz FCJVBJGTJUXFLW-UHFFFAOYSA-N 1 0 315.215 1.423 50 0 DDAARO CC(C)[NH+]1CCC(N(C)S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000096472406 407270894 /nfs/dbraw/zinc/27/08/94/407270894.db2.gz KWKFOXCLIPRMID-HNNXBMFYSA-N 1 0 318.483 1.690 50 0 DDAARO C[NH2+]CC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067515497 407275584 /nfs/dbraw/zinc/27/55/84/407275584.db2.gz JGRXKFZRUDMAHQ-UHFFFAOYSA-N 1 0 313.357 1.395 50 0 DDAARO C/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCCCCC2)C1 ZINC000067654637 407278711 /nfs/dbraw/zinc/27/87/11/407278711.db2.gz JWDPDKRCSVJNAJ-RNSFGAQFSA-N 1 0 321.465 1.793 50 0 DDAARO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C(N)=O)cs1)C2 ZINC000097084968 407279757 /nfs/dbraw/zinc/27/97/57/407279757.db2.gz XKMQWZDSQHPKGJ-IAQYHMDHSA-N 1 0 308.403 1.622 50 0 DDAARO Cc1c(C[N@@H+]2CC[C@@H](CNC(=O)NC(C)(C)C)C2)cnn1C ZINC000067713094 407281350 /nfs/dbraw/zinc/28/13/50/407281350.db2.gz YZZQHRMGLYNWPT-ZDUSSCGKSA-N 1 0 307.442 1.648 50 0 DDAARO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000067712874 407281546 /nfs/dbraw/zinc/28/15/46/407281546.db2.gz IUEVWXGMYMBPNR-NSHDSACASA-N 1 0 324.406 1.041 50 0 DDAARO COc1ccc2c(c1)C[C@H]([NH2+]CCN(C)S(C)(=O)=O)CC2 ZINC000067774174 407284595 /nfs/dbraw/zinc/28/45/95/407284595.db2.gz MVEAMUDINLCADE-CQSZACIVSA-N 1 0 312.435 1.034 50 0 DDAARO CCn1cc(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)cn1 ZINC000097203654 407287867 /nfs/dbraw/zinc/28/78/67/407287867.db2.gz LBRWVGBYMRICHV-UHFFFAOYSA-N 1 0 319.409 1.024 50 0 DDAARO Cc1nn(C[C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c(C)c1Cl ZINC000067921997 407290016 /nfs/dbraw/zinc/29/00/16/407290016.db2.gz LPIYTPCSDWIWOO-VIFPVBQESA-N 1 0 322.862 1.023 50 0 DDAARO COCCN1C(=O)N[C@@](CCC(C)C)(C2CC[NH2+]CC2)C1=O ZINC000067934983 407291039 /nfs/dbraw/zinc/29/10/39/407291039.db2.gz MUUFQPYUAIZJOR-INIZCTEOSA-N 1 0 311.426 1.359 50 0 DDAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1nnc[nH]1 ZINC000067982078 407293051 /nfs/dbraw/zinc/29/30/51/407293051.db2.gz ZHGBOMUAYUBBLR-GFCCVEGCSA-N 1 0 317.368 1.586 50 0 DDAARO CCCn1ccnc1CN1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067974895 407293219 /nfs/dbraw/zinc/29/32/19/407293219.db2.gz NIUDMPHFUQAREK-UHFFFAOYSA-N 1 0 319.453 1.079 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cc(C(F)(F)F)n[nH]1 ZINC000097522360 407299105 /nfs/dbraw/zinc/29/91/05/407299105.db2.gz SGPXHLOYIMTEBA-VIFPVBQESA-N 1 0 320.315 1.005 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1cc(C(F)(F)F)n[nH]1 ZINC000097522358 407299476 /nfs/dbraw/zinc/29/94/76/407299476.db2.gz SGPXHLOYIMTEBA-SECBINFHSA-N 1 0 320.315 1.005 50 0 DDAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@@H]1CCOC1 ZINC000097680001 407300869 /nfs/dbraw/zinc/30/08/69/407300869.db2.gz PFCXKSAAOIYCJJ-CQSZACIVSA-N 1 0 304.390 1.509 50 0 DDAARO C[NH+]1CCC(n2nc([C@@H]3CCOC3)nc2-c2ncc[nH]2)CC1 ZINC000097674077 407301033 /nfs/dbraw/zinc/30/10/33/407301033.db2.gz QEDSBWNCOYTYPR-LLVKDONJSA-N 1 0 302.382 1.439 50 0 DDAARO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000107542308 407375695 /nfs/dbraw/zinc/37/56/95/407375695.db2.gz XMFQMSUTMWVHOY-QWHCGFSZSA-N 1 0 318.439 1.492 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000111713151 407415616 /nfs/dbraw/zinc/41/56/16/407415616.db2.gz AVWFDFNTHGBGNB-VHSXEESVSA-N 1 0 304.362 1.713 50 0 DDAARO C[NH+](C)C1CCN(CCNc2ccc3nccnc3n2)CC1 ZINC000170652394 407466469 /nfs/dbraw/zinc/46/64/69/407466469.db2.gz UFDSXXAJSJZDQI-UHFFFAOYSA-N 1 0 300.410 1.463 50 0 DDAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000195554217 407468217 /nfs/dbraw/zinc/46/82/17/407468217.db2.gz WAGZHNHTZRLHBW-AWEZNQCLSA-N 1 0 305.426 1.277 50 0 DDAARO COc1cccc(C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)n1 ZINC000257188296 407482889 /nfs/dbraw/zinc/48/28/89/407482889.db2.gz FDSJPDVVMMYFMU-INIZCTEOSA-N 1 0 306.406 1.986 50 0 DDAARO [NH3+][C@@H]1CCCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000216348415 407494897 /nfs/dbraw/zinc/49/48/97/407494897.db2.gz HUKFUDMQNWQRGW-QGZVFWFLSA-N 1 0 319.449 1.321 50 0 DDAARO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCC)nc1 ZINC000253415997 407441499 /nfs/dbraw/zinc/44/14/99/407441499.db2.gz ISPWNJOMSSUDRC-LLVKDONJSA-N 1 0 301.412 1.276 50 0 DDAARO O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000253432155 407452644 /nfs/dbraw/zinc/45/26/44/407452644.db2.gz IZNIVFKJXAEZOP-GDBMZVCRSA-N 1 0 308.447 1.998 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2cnccn2)C1 ZINC000178735071 407572268 /nfs/dbraw/zinc/57/22/68/407572268.db2.gz AXDHRMVRZSOEID-HNNXBMFYSA-N 1 0 319.453 1.986 50 0 DDAARO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000225476498 407587135 /nfs/dbraw/zinc/58/71/35/407587135.db2.gz PCJVTXVAZSORAU-ZDUSSCGKSA-N 1 0 302.296 1.518 50 0 DDAARO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000229970535 407675498 /nfs/dbraw/zinc/67/54/98/407675498.db2.gz HEVYDUGNIWQVDI-ZIAGYGMSSA-N 1 0 309.454 1.611 50 0 DDAARO CC(=O)NCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230184292 407682241 /nfs/dbraw/zinc/68/22/41/407682241.db2.gz OGVXUYDURMZDAP-GVDBMIGSSA-N 1 0 315.417 1.149 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000179014742 407691644 /nfs/dbraw/zinc/69/16/44/407691644.db2.gz VWVWXFDRZQNWFB-GPAKFWEMSA-N 1 0 301.390 1.127 50 0 DDAARO Cc1cc(CN(C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000171589900 407711248 /nfs/dbraw/zinc/71/12/48/407711248.db2.gz VCFWVILHIULTPY-UHFFFAOYSA-N 1 0 303.410 1.776 50 0 DDAARO CC(C)(C)/C=C/C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236736615 407763994 /nfs/dbraw/zinc/76/39/94/407763994.db2.gz NKXDKIPIWTVWQT-VMFRVMOISA-N 1 0 321.465 1.696 50 0 DDAARO CC(=O)N1CCc2cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc21 ZINC000131856047 407757464 /nfs/dbraw/zinc/75/74/64/407757464.db2.gz PMGYXSGCPODRDJ-TXEJJXNPSA-N 1 0 301.390 1.418 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@@H](C)[NH2+]1 ZINC000153228386 407782613 /nfs/dbraw/zinc/78/26/13/407782613.db2.gz DPWXVWJKRBQXHK-VXGBXAGGSA-N 1 0 302.353 1.834 50 0 DDAARO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C(N)=O)C2)CCO1 ZINC000242038576 407912480 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NQDIGCNMTDLFPU-NSHDSACASA-N 1 0 304.419 1.955 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CN(C)c2ncnc3c2c(C)nn3C)C1 ZINC000072475970 191176691 /nfs/dbraw/zinc/17/66/91/191176691.db2.gz XBACQNHCLXFPIU-ZDUSSCGKSA-N 1 0 318.425 1.076 50 0 DDAARO c1cn(Cc2ccc3c(c2)OCO3)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072476793 191178489 /nfs/dbraw/zinc/17/84/89/191178489.db2.gz RLYFYZFYTATZPQ-UHFFFAOYSA-N 1 0 323.356 1.627 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000059767078 352863632 /nfs/dbraw/zinc/86/36/32/352863632.db2.gz HTNNZRHUPIIMHH-CYBMUJFWSA-N 1 0 314.393 1.686 50 0 DDAARO Cc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269113 353195378 /nfs/dbraw/zinc/19/53/78/353195378.db2.gz ASFVRQUBFYFBPU-IRXDYDNUSA-N 1 0 302.418 1.595 50 0 DDAARO CC(C)[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)[NH+]1CCCCC1 ZINC000072273710 353195812 /nfs/dbraw/zinc/19/58/12/353195812.db2.gz RUQBTRQUVJVNLH-ZBFHGGJFSA-N 1 0 304.438 1.825 50 0 DDAARO CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=[NH2+])cc1 ZINC000002002226 180905404 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CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000195554094 354296772 /nfs/dbraw/zinc/29/67/72/354296772.db2.gz NSUPXPFIBSFYTQ-IRXDYDNUSA-N 1 0 311.385 1.774 50 0 DDAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2CO)c1 ZINC000195579332 354298496 /nfs/dbraw/zinc/29/84/96/354298496.db2.gz SQYHNWPUNBXUIC-KCQAQPDRSA-N 1 0 306.406 1.718 50 0 DDAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2CO)c1 ZINC000195579335 354298561 /nfs/dbraw/zinc/29/85/61/354298561.db2.gz SQYHNWPUNBXUIC-GZBFAFLISA-N 1 0 306.406 1.718 50 0 DDAARO c1ccc(-n2nnnc2SCC[NH2+]Cc2cccnc2)cc1 ZINC000004413508 181108315 /nfs/dbraw/zinc/10/83/15/181108315.db2.gz QYRJLTYZHQYJLA-UHFFFAOYSA-N 1 0 312.402 1.939 50 0 DDAARO CN1CCN(C(=O)C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000004725555 181142942 /nfs/dbraw/zinc/14/29/42/181142942.db2.gz FEEXDZSJTPXUHE-UHFFFAOYSA-N 1 0 307.463 1.734 50 0 DDAARO COC(C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)OC ZINC000397791786 354654781 /nfs/dbraw/zinc/65/47/81/354654781.db2.gz AGOIHGNDSMBMBP-MNOVXSKESA-N 1 0 302.415 1.887 50 0 DDAARO Cc1ccccc1OCCC(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000584902986 354801923 /nfs/dbraw/zinc/80/19/23/354801923.db2.gz LYTKADMWKDVWMD-OAHLLOKOSA-N 1 0 306.406 1.458 50 0 DDAARO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000584903368 354801940 /nfs/dbraw/zinc/80/19/40/354801940.db2.gz XEWLQHWMPOVOSF-ZDUSSCGKSA-N 1 0 311.451 1.069 50 0 DDAARO COC(=O)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005163432 181212607 /nfs/dbraw/zinc/21/26/07/181212607.db2.gz DSVCCEHVAPGBSG-ZDUSSCGKSA-N 1 0 319.405 1.512 50 0 DDAARO CC[NH2+]CC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000237055634 202138138 /nfs/dbraw/zinc/13/81/38/202138138.db2.gz HKQAXJAXKOVONZ-UHFFFAOYSA-N 1 0 320.846 1.084 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000237193971 202185574 /nfs/dbraw/zinc/18/55/74/202185574.db2.gz LFKVARAKBQVYOM-VSGCLNPGSA-N 1 0 315.417 1.517 50 0 DDAARO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[NH2+]CCO2)cc1OC ZINC000187301175 200090933 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CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@@H]1CO ZINC000091625909 193081352 /nfs/dbraw/zinc/08/13/52/193081352.db2.gz VHCROQXZNUDNRP-HUUCEWRRSA-N 1 0 308.397 1.387 50 0 DDAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)C[NH3+] ZINC000091894237 193123086 /nfs/dbraw/zinc/12/30/86/193123086.db2.gz BRGCWNXWUWKBIZ-GFCCVEGCSA-N 1 0 305.426 1.691 50 0 DDAARO CCOCC[N@@H+]1C[C@H](NC(=O)C(C)(C)OC)[C@@H](C(C)C)C1 ZINC000091986798 193136887 /nfs/dbraw/zinc/13/68/87/193136887.db2.gz CCCHZTBKFIYKEX-KGLIPLIRSA-N 1 0 300.443 1.521 50 0 DDAARO Cn1ncc(Cl)c1C(=O)NC[C@H](O)C[NH+]1CCCCCC1 ZINC000215699274 201466091 /nfs/dbraw/zinc/46/60/91/201466091.db2.gz YCQFOHWTKGAYFF-NSHDSACASA-N 1 0 314.817 1.040 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095972680 193468583 /nfs/dbraw/zinc/46/85/83/193468583.db2.gz XMSOYJMPEOFPKX-ZETCQYMHSA-N 1 0 312.288 1.566 50 0 DDAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000195558574 296154658 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CCOc1ccc2nc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)sc2c1 ZINC000020434117 182216998 /nfs/dbraw/zinc/21/69/98/182216998.db2.gz NWZINKVMCQOTGV-LDYMZIIASA-N 1 0 307.375 1.356 50 0 DDAARO Cc1[nH]c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2c1C ZINC000020583757 182234745 /nfs/dbraw/zinc/23/47/45/182234745.db2.gz ZMFYPAFBZLVVJX-UHFFFAOYSA-N 1 0 314.433 1.762 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1 ZINC000023106556 182347574 /nfs/dbraw/zinc/34/75/74/182347574.db2.gz VKWQRBGUVSIZFQ-CYBMUJFWSA-N 1 0 323.462 1.916 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)COc2ccc(F)cc2)CC1 ZINC000023127943 182349229 /nfs/dbraw/zinc/34/92/29/182349229.db2.gz XQHZBTZHQXTRTN-UHFFFAOYSA-N 1 0 324.396 1.679 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000040516112 183089305 /nfs/dbraw/zinc/08/93/05/183089305.db2.gz XOHBSEUDLQTRTM-GFCCVEGCSA-N 1 0 308.426 1.900 50 0 DDAARO Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCC[NH+](C)C)O2 ZINC000040808685 183137018 /nfs/dbraw/zinc/13/70/18/183137018.db2.gz JGXCQAORMLULHO-MRXNPFEDSA-N 1 0 305.378 1.153 50 0 DDAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000043763909 183385130 /nfs/dbraw/zinc/38/51/30/183385130.db2.gz ONGZRIRZKQFXRQ-MSOLQXFVSA-N 1 0 310.397 1.938 50 0 DDAARO CCCNC(=O)[C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000043794038 183386680 /nfs/dbraw/zinc/38/66/80/183386680.db2.gz HVVYGQKEWPONGF-CYBMUJFWSA-N 1 0 312.458 1.321 50 0 DDAARO CC[NH+](CC)CCNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046417729 183561224 /nfs/dbraw/zinc/56/12/24/183561224.db2.gz RSTLPLPVBHANKA-UHFFFAOYSA-N 1 0 317.393 1.522 50 0 DDAARO Cc1nn(C)c(C)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805973 194133655 /nfs/dbraw/zinc/13/36/55/194133655.db2.gz XUPIUMIVKSVVIO-UHFFFAOYSA-N 1 0 300.410 1.903 50 0 DDAARO CCOC(=O)C1=C(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)NC(=O)NC1 ZINC000057752409 184051057 /nfs/dbraw/zinc/05/10/57/184051057.db2.gz YVOODVUQGWVPDH-CHWSQXEVSA-N 1 0 321.421 1.629 50 0 DDAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000058031258 184069910 /nfs/dbraw/zinc/06/99/10/184069910.db2.gz UTJSZOVRXUPIED-OAHLLOKOSA-N 1 0 303.362 1.590 50 0 DDAARO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000058162234 184082495 /nfs/dbraw/zinc/08/24/95/184082495.db2.gz WUNLAFGQEAXJLQ-NSHDSACASA-N 1 0 318.389 1.975 50 0 DDAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062983628 184265042 /nfs/dbraw/zinc/26/50/42/184265042.db2.gz HUMPYLACKXZQJM-CYBMUJFWSA-N 1 0 312.439 1.275 50 0 DDAARO COc1cc(C[NH2+]CCN2CCCCCC2=O)cc2c1OCO2 ZINC000065492258 184354131 /nfs/dbraw/zinc/35/41/31/184354131.db2.gz AIDVTXOCXWQCGI-UHFFFAOYSA-N 1 0 320.389 1.916 50 0 DDAARO O=C(c1cncc(N2[C@@H]3CC[C@H]2C[NH2+]CC3)n1)N1CCCCC1 ZINC000065407885 184339627 /nfs/dbraw/zinc/33/96/27/184339627.db2.gz LBHDROCOIBOYIV-KGLIPLIRSA-N 1 0 315.421 1.433 50 0 DDAARO C[C@@H](CNC(=O)NCc1ccccc1Cn1cncn1)[NH+](C)C ZINC000065440779 184345186 /nfs/dbraw/zinc/34/51/86/184345186.db2.gz ARYCWHVQHPPRTA-ZDUSSCGKSA-N 1 0 316.409 1.076 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000065403907 184337288 /nfs/dbraw/zinc/33/72/88/184337288.db2.gz YROPKFOMNPKKHS-HNNXBMFYSA-N 1 0 303.406 1.103 50 0 DDAARO C[C@H](Cn1ccnc1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000065527065 184360345 /nfs/dbraw/zinc/36/03/45/184360345.db2.gz SXFAXHMPAVPNLN-MRXNPFEDSA-N 1 0 306.454 1.896 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000269197977 207318717 /nfs/dbraw/zinc/31/87/17/207318717.db2.gz WYICZAXTPLQJEE-WFASDCNBSA-N 1 0 314.393 1.063 50 0 DDAARO O[C@@H](COCc1ccco1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065589486 184369168 /nfs/dbraw/zinc/36/91/68/184369168.db2.gz WXKFMNVYHBFEGQ-MRXNPFEDSA-N 1 0 319.405 1.766 50 0 DDAARO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000068722217 184497178 /nfs/dbraw/zinc/49/71/78/184497178.db2.gz AJESMWUZWPFUCJ-GFCCVEGCSA-N 1 0 322.434 1.521 50 0 DDAARO Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1S(C)(=O)=O ZINC000156277025 197101205 /nfs/dbraw/zinc/10/12/05/197101205.db2.gz STPRDIJIICAGDV-JSGCOSHPSA-N 1 0 324.446 1.598 50 0 DDAARO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000237538723 257238260 /nfs/dbraw/zinc/23/82/60/257238260.db2.gz QSCYZNPVFPWJBE-JSGCOSHPSA-N 1 0 323.462 1.569 50 0 DDAARO COc1ccc(-n2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)n2)cc1 ZINC000237511973 257238680 /nfs/dbraw/zinc/23/86/80/257238680.db2.gz PNJSUXDLGOOCEE-CHWSQXEVSA-N 1 0 314.389 1.833 50 0 DDAARO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000521394591 257241270 /nfs/dbraw/zinc/24/12/70/257241270.db2.gz MBDMMRDBQYEJNN-OLZOCXBDSA-N 1 0 312.435 1.974 50 0 DDAARO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](C)SC)CC2)CC1 ZINC000071900329 184895559 /nfs/dbraw/zinc/89/55/59/184895559.db2.gz HWWPAZYFNFOLBK-CQSZACIVSA-N 1 0 313.511 1.757 50 0 DDAARO CC[NH+](CC)CCOc1ccccc1CNS(C)(=O)=O ZINC000071906091 184898981 /nfs/dbraw/zinc/89/89/81/184898981.db2.gz UZTHIAWZTJPKOE-UHFFFAOYSA-N 1 0 300.424 1.456 50 0 DDAARO COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1=O ZINC000237103194 286504440 /nfs/dbraw/zinc/50/44/40/286504440.db2.gz JIPPRMJMVYPBLI-UPJWGTAASA-N 1 0 317.389 1.044 50 0 DDAARO Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCC[NH+]1CCCC1)O2 ZINC000040808733 292335922 /nfs/dbraw/zinc/33/59/22/292335922.db2.gz ZEDJKMSSLVUFHF-QGZVFWFLSA-N 1 0 317.389 1.297 50 0 DDAARO O=C(CC[NH+]1CCCCC1)NC[C@H]1COc2ccccc2O1 ZINC000000102313 406619661 /nfs/dbraw/zinc/61/96/61/406619661.db2.gz VVUREBZUPROTJT-AWEZNQCLSA-N 1 0 304.390 1.819 50 0 DDAARO NC(=O)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000000176500 406629318 /nfs/dbraw/zinc/62/93/18/406629318.db2.gz LLCJFFWSHVFBRR-UHFFFAOYSA-N 1 0 309.797 1.866 50 0 DDAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC(=O)N1 ZINC000068931848 406671823 /nfs/dbraw/zinc/67/18/23/406671823.db2.gz GLSOEJVTJCMDBG-OAHLLOKOSA-N 1 0 301.390 1.177 50 0 DDAARO Cc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000069534857 406731166 /nfs/dbraw/zinc/73/11/66/406731166.db2.gz CDKRGSGRGFZEOB-CQSZACIVSA-N 1 0 313.405 1.253 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)c2cccnc2OCCOC)CC1 ZINC000069538285 406732068 /nfs/dbraw/zinc/73/20/68/406732068.db2.gz VSQGCZCEZDNCCZ-UHFFFAOYSA-N 1 0 307.394 1.275 50 0 DDAARO COc1cc(C[NH2+][C@H]2CCc3ncnn3C2)cc2c1OCO2 ZINC000069560231 406733799 /nfs/dbraw/zinc/73/37/99/406733799.db2.gz VOALWRGLUKYTMT-NSHDSACASA-N 1 0 302.334 1.120 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000069558259 406734067 /nfs/dbraw/zinc/73/40/67/406734067.db2.gz NBWKBORHXHTJMW-UHFFFAOYSA-N 1 0 311.470 1.777 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)c1 ZINC000069597148 406738512 /nfs/dbraw/zinc/73/85/12/406738512.db2.gz BQJDTKHLYDGCLX-STQMWFEESA-N 1 0 304.398 1.411 50 0 DDAARO Cc1cc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)no1 ZINC000069600156 406742872 /nfs/dbraw/zinc/74/28/72/406742872.db2.gz SGAGMOIPGORDIN-ZDUSSCGKSA-N 1 0 317.393 1.998 50 0 DDAARO COCC[NH+]1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000069627899 406746103 /nfs/dbraw/zinc/74/61/03/406746103.db2.gz OZSVLIMFLYKHLS-UHFFFAOYSA-N 1 0 300.406 1.636 50 0 DDAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069741381 406766439 /nfs/dbraw/zinc/76/64/39/406766439.db2.gz MOYMQNDMLJAZGX-AWEZNQCLSA-N 1 0 317.393 1.242 50 0 DDAARO COc1cc2c(cc1C[NH2+][C@H]1CCc3ncnn3C1)O[C@H](C)C2 ZINC000069488869 406720644 /nfs/dbraw/zinc/72/06/44/406720644.db2.gz VCGCNMHYKBRWPC-RISCZKNCSA-N 1 0 314.389 1.715 50 0 DDAARO CC[N@H+](CCNC(=O)[C@H](C)NC(=O)c1cccs1)C1CC1 ZINC000069537592 406730530 /nfs/dbraw/zinc/73/05/30/406730530.db2.gz NFPCFYSHHRNYHE-NSHDSACASA-N 1 0 309.435 1.467 50 0 DDAARO COc1cc(CNC2=[NH+]CCN2)cc(Br)c1OC ZINC000069951787 406795871 /nfs/dbraw/zinc/79/58/71/406795871.db2.gz FBACTYMLRRSXFX-UHFFFAOYSA-N 1 0 314.183 1.515 50 0 DDAARO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173678 406809989 /nfs/dbraw/zinc/80/99/89/406809989.db2.gz LOSWGXGHALYNPP-VXGBXAGGSA-N 1 0 300.399 1.882 50 0 DDAARO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000071413135 406838965 /nfs/dbraw/zinc/83/89/65/406838965.db2.gz AIHDCMKQBPASOH-MWLCHTKSSA-N 1 0 322.352 1.982 50 0 DDAARO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012198273 406839097 /nfs/dbraw/zinc/83/90/97/406839097.db2.gz CSONBOXZMNGROF-NSHDSACASA-N 1 0 312.391 1.178 50 0 DDAARO Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1 ZINC000071195699 406833347 /nfs/dbraw/zinc/83/33/47/406833347.db2.gz HQWJSFGVYPAWKE-CQSZACIVSA-N 1 0 322.372 1.808 50 0 DDAARO Cn1c2ccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)cc2n(C)c1=O ZINC000071375421 406838813 /nfs/dbraw/zinc/83/88/13/406838813.db2.gz VWUTXCHLAKJBSI-LLVKDONJSA-N 1 0 302.378 1.157 50 0 DDAARO O=C(c1ccccn1)N1CCC[N@@H+](CC2(O)CCCCC2)CC1 ZINC000071825125 406848065 /nfs/dbraw/zinc/84/80/65/406848065.db2.gz JHYRJOMEBSJGBM-UHFFFAOYSA-N 1 0 317.433 1.925 50 0 DDAARO Cn1cc([C@H]2C[C@@H]2C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000071841352 406851728 /nfs/dbraw/zinc/85/17/28/406851728.db2.gz ZUAONAGLCHZZCL-CVEARBPZSA-N 1 0 302.422 1.610 50 0 DDAARO C[C@@H](CNC(=O)c1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000071867425 406856081 /nfs/dbraw/zinc/85/60/81/406856081.db2.gz GJTPAFKYIKBJFU-NSHDSACASA-N 1 0 313.804 1.845 50 0 DDAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000071878616 406859488 /nfs/dbraw/zinc/85/94/88/406859488.db2.gz YFQCMBPBIGZLFZ-AWEZNQCLSA-N 1 0 302.378 1.599 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2Cn2cncn2)no1 ZINC000071876195 406860127 /nfs/dbraw/zinc/86/01/27/406860127.db2.gz BCXPUBKBNUVPNK-ZDUSSCGKSA-N 1 0 318.381 1.458 50 0 DDAARO O=C(CSCC[NH+]1CCCC1)N1CCCn2cncc2C1 ZINC000072163864 406874586 /nfs/dbraw/zinc/87/45/86/406874586.db2.gz CFSGLJMGOGXJBQ-UHFFFAOYSA-N 1 0 308.451 1.444 50 0 DDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1CCC1 ZINC000015066376 406878953 /nfs/dbraw/zinc/87/89/53/406878953.db2.gz ZGOMBZWCZFELFC-QGZVFWFLSA-N 1 0 306.381 1.821 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cccn2C)[C@H](C)C1 ZINC000072300632 406880526 /nfs/dbraw/zinc/88/05/26/406880526.db2.gz SCKBPGFSUIXZSV-HIFRSBDPSA-N 1 0 313.467 1.563 50 0 DDAARO C[C@@]1([C@@H]2CCC[N@H+](CCc3cccs3)C2)NC(=O)NC1=O ZINC000072300722 406880659 /nfs/dbraw/zinc/88/06/59/406880659.db2.gz IXWZTEUDGAZPDQ-ABAIWWIYSA-N 1 0 307.419 1.601 50 0 DDAARO C[C@@H]1NC(=S)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000015569785 406881564 /nfs/dbraw/zinc/88/15/64/406881564.db2.gz IBBDWFCSXHNPHG-LBPRGKRZSA-N 1 0 311.451 1.127 50 0 DDAARO Cc1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc(C)c1Cl ZINC000019781900 406886235 /nfs/dbraw/zinc/88/62/35/406886235.db2.gz PFKHTCXTKMXSRQ-AWEZNQCLSA-N 1 0 312.841 1.944 50 0 DDAARO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000073897792 406897624 /nfs/dbraw/zinc/89/76/24/406897624.db2.gz IHAIYAIZLCPTME-UONOGXRCSA-N 1 0 307.442 1.901 50 0 DDAARO [NH3+]CCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000026421583 406904532 /nfs/dbraw/zinc/90/45/32/406904532.db2.gz VIZFUPILPNZDGS-UHFFFAOYSA-N 1 0 323.404 1.112 50 0 DDAARO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C(N)=O)CC1 ZINC000026467142 406904776 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/nfs/dbraw/zinc/30/09/29/407300929.db2.gz PZWXBRZMGSRQSA-GJZGRUSLSA-N 1 0 308.447 1.982 50 0 DDAARO O=C(c1ccc(Cl)o1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000097785285 407303378 /nfs/dbraw/zinc/30/33/78/407303378.db2.gz SFDFJQMHSKWXGM-ZDUSSCGKSA-N 1 0 323.824 1.785 50 0 DDAARO CC12CN3CC(C[N@H+](C1)CC3)[C@H]2NC(=S)Nc1ccccc1 ZINC000104180359 407348324 /nfs/dbraw/zinc/34/83/24/407348324.db2.gz ASJMMVJCMUMUDZ-GNHJJJEISA-N 1 0 316.474 1.609 50 0 DDAARO CC[C@H]1CN(C(=O)c2ccc(C)nc2C)CC[N@@H+]1C[C@H](C)O ZINC000107506498 407375908 /nfs/dbraw/zinc/37/59/08/407375908.db2.gz LGFUSQDACDONBB-ZFWWWQNUSA-N 1 0 305.422 1.616 50 0 DDAARO CC(C)[NH2+]C1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000108369293 407384847 /nfs/dbraw/zinc/38/48/47/407384847.db2.gz ATNDWYCDJZEEFC-DLBZAZTESA-N 1 0 323.481 1.619 50 0 DDAARO Cn1nc(C(N)=O)c2c1CC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC000215086145 407480026 /nfs/dbraw/zinc/48/00/26/407480026.db2.gz LRMJNZZGBMEWPQ-NSHDSACASA-N 1 0 306.410 1.082 50 0 DDAARO COc1cccc(C[NH+]2CCC3(CC[C@H]3OCC(N)=O)CC2)n1 ZINC000257177088 407481520 /nfs/dbraw/zinc/48/15/20/407481520.db2.gz VSUBPUVJTMBOTP-CQSZACIVSA-N 1 0 319.405 1.337 50 0 DDAARO CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)N(C(=O)CCO)C2)CC1 ZINC000257173978 407481943 /nfs/dbraw/zinc/48/19/43/407481943.db2.gz AXLBDMCVUHCXAU-CYBMUJFWSA-N 1 0 322.409 1.136 50 0 DDAARO c1cnn(C[C@@H]2C[N@H+](Cc3cccc4nonc43)CCCO2)c1 ZINC000215261171 407482861 /nfs/dbraw/zinc/48/28/61/407482861.db2.gz LRQLGIHCCZEUHC-AWEZNQCLSA-N 1 0 313.361 1.710 50 0 DDAARO CO[C@@H]1C[N@H+](C2CCN(C(=O)CC(C)C)CC2)C12CCOCC2 ZINC000257185044 407485357 /nfs/dbraw/zinc/48/53/57/407485357.db2.gz VVIMMNYDDAESAD-MRXNPFEDSA-N 1 0 324.465 1.903 50 0 DDAARO COc1ccccc1-n1cc(C(=O)NCC[NH+]2CCCC2)cn1 ZINC000216408800 407494130 /nfs/dbraw/zinc/49/41/30/407494130.db2.gz RSNNLWMINKGXJE-UHFFFAOYSA-N 1 0 314.389 1.707 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000178570441 407496010 /nfs/dbraw/zinc/49/60/10/407496010.db2.gz 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ZINC000225480934 407590566 /nfs/dbraw/zinc/59/05/66/407590566.db2.gz UJWKXZIRPIILBR-TZMCWYRMSA-N 1 0 321.446 1.469 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000178653560 407531170 /nfs/dbraw/zinc/53/11/70/407531170.db2.gz XHPZXVBHEDSTDY-MRXNPFEDSA-N 1 0 319.449 1.855 50 0 DDAARO Cn1cccc1C(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000219522832 407532118 /nfs/dbraw/zinc/53/21/18/407532118.db2.gz SWSDFMUPFFGVFH-UHFFFAOYSA-N 1 0 304.438 1.267 50 0 DDAARO CSCC[C@H](O)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219986704 407536220 /nfs/dbraw/zinc/53/62/20/407536220.db2.gz VATZRFBFSHJPCK-HNNXBMFYSA-N 1 0 323.462 1.276 50 0 DDAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ccncc1)C2 ZINC000221332444 407549354 /nfs/dbraw/zinc/54/93/54/407549354.db2.gz YOKWMQOXQWTGRT-KRWDZBQOSA-N 1 0 315.421 1.279 50 0 DDAARO CN(C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)c1cnn(C)c1 ZINC000225733182 407604216 /nfs/dbraw/zinc/60/42/16/407604216.db2.gz OYGNPZNNPOUWOF-HOTGVXAUSA-N 1 0 306.454 1.962 50 0 DDAARO c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)CN2 ZINC000229537030 407665526 /nfs/dbraw/zinc/66/55/26/407665526.db2.gz GCXVQXUBPIXJIC-DLBZAZTESA-N 1 0 311.433 1.789 50 0 DDAARO CC(C)[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1nc(C2CC2)no1 ZINC000262290662 407783845 /nfs/dbraw/zinc/78/38/45/407783845.db2.gz YLEDLNWHPNGVGI-AAEUAGOBSA-N 1 0 308.382 1.139 50 0 DDAARO COCCOc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000237140786 407798849 /nfs/dbraw/zinc/79/88/49/407798849.db2.gz UMZNLLRJGHIACI-BBRMVZONSA-N 1 0 306.406 1.911 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000238061427 407882198 /nfs/dbraw/zinc/88/21/98/407882198.db2.gz WHXICHRHSZFQHT-ZDUSSCGKSA-N 1 0 319.405 1.975 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCC(=O)Nc1ccncc1 ZINC000241965636 407912910 /nfs/dbraw/zinc/91/29/10/407912910.db2.gz UUPGKYWBZVQMJM-CQSZACIVSA-N 1 0 318.421 1.791 50 0 DDAARO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccnn2CC)C1 ZINC000241587836 407908740 /nfs/dbraw/zinc/90/87/40/407908740.db2.gz OXOVPORIBAYCBA-AWEZNQCLSA-N 1 0 302.426 1.937 50 0 DDAARO C[C@H](c1cccc(F)c1)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000241231153 407911142 /nfs/dbraw/zinc/91/11/42/407911142.db2.gz KSOCEEMVNSBCAT-DOMZBBRYSA-N 1 0 309.385 1.005 50 0 DDAARO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000245289723 407950737 /nfs/dbraw/zinc/95/07/37/407950737.db2.gz DRBTWDWTAPXRON-SOUVJXGZSA-N 1 0 318.483 1.330 50 0 DDAARO CNC(=O)c1ccc(CN2CCOc3ccc(CO)cc3C2)o1 ZINC000243956695 407925399 /nfs/dbraw/zinc/92/53/99/407925399.db2.gz CCBMUFCOBDPSHS-UHFFFAOYSA-N 1 0 316.357 1.526 50 0 DDAARO C[NH+]1CCC(N2CCC[C@H]2C(=O)NCCCc2ncc[nH]2)CC1 ZINC000244678709 407932626 /nfs/dbraw/zinc/93/26/26/407932626.db2.gz IIRRYYAKZZUALW-HNNXBMFYSA-N 1 0 319.453 1.017 50 0 DDAARO Cn1c(Cn2ccc3ccccc3c2=O)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244811644 407939109 /nfs/dbraw/zinc/93/91/09/407939109.db2.gz SIKGDUADDPBAMA-JOCQHMNTSA-N 1 0 309.373 1.383 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C[C@@H](C)[NH2+]1 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DDAARO C[C@@H](c1nnnn1C)N(C)Cc1nccn1CC(F)(F)F ZINC000276328214 408836178 /nfs/dbraw/zinc/83/61/78/408836178.db2.gz GHVKKHQEAVTIAG-QMMMGPOBSA-N 1 0 303.292 1.162 50 0 DDAARO C[NH+]1CCC(OCCCNC(=O)CSc2ccncc2)CC1 ZINC000299755802 410609218 /nfs/dbraw/zinc/60/92/18/410609218.db2.gz DXYBDVBNVOXSDE-UHFFFAOYSA-N 1 0 323.462 1.791 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)c2cccn3cnnc23)CC1 ZINC000299761732 410611761 /nfs/dbraw/zinc/61/17/61/410611761.db2.gz NGGBTRXSKYEXFD-UHFFFAOYSA-N 1 0 301.394 1.581 50 0 DDAARO Clc1ccncc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299772352 410617598 /nfs/dbraw/zinc/61/75/98/410617598.db2.gz ZIWQJYVWSKPDBR-UONOGXRCSA-N 1 0 305.769 1.672 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)NCc1nc2c(ccc(C)c2C)[nH]1 ZINC000299791334 410631086 /nfs/dbraw/zinc/63/10/86/410631086.db2.gz DBJPNNGYDBHMNX-NSHDSACASA-N 1 0 306.435 1.876 50 0 DDAARO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[NH2+]CC2 ZINC000299794600 410636148 /nfs/dbraw/zinc/63/61/48/410636148.db2.gz LDYARRLQUIBOHE-VIFPVBQESA-N 1 0 321.331 1.193 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1cnccn1 ZINC000046372917 418447839 /nfs/dbraw/zinc/44/78/39/418447839.db2.gz VKNOBSARZOFLNN-ZDUSSCGKSA-N 1 0 306.414 1.062 50 0 DDAARO C[C@H]1C(=O)N(C[C@H](O)C[N@H+](C)Cc2ccccc2)C(=O)[C@H]1C ZINC000101510172 418494114 /nfs/dbraw/zinc/49/41/14/418494114.db2.gz ZQHQIPQMWWWELZ-VNHYZAJKSA-N 1 0 304.390 1.120 50 0 DDAARO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCOCC2)cc1 ZINC000048286767 418467937 /nfs/dbraw/zinc/46/79/37/418467937.db2.gz WSRULADHSXWORL-UONOGXRCSA-N 1 0 306.406 1.983 50 0 DDAARO CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]1Cn1cncn1 ZINC000257365725 418568688 /nfs/dbraw/zinc/56/86/88/418568688.db2.gz IKVFZFNOJZJHRR-QWHCGFSZSA-N 1 0 318.381 1.456 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1C ZINC000241383435 222211975 /nfs/dbraw/zinc/21/19/75/222211975.db2.gz MVJOONFBDMRCQU-CYBMUJFWSA-N 1 0 307.442 1.235 50 0 DDAARO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252475158 222244562 /nfs/dbraw/zinc/24/45/62/222244562.db2.gz UZXLAOAXIPEMSY-FMKPAKJESA-N 1 0 321.465 1.611 50 0 DDAARO O=C(CCCc1cn[nH]c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426359538 419446246 /nfs/dbraw/zinc/44/62/46/419446246.db2.gz CKLJBVUAABWGIN-UHFFFAOYSA-N 1 0 320.437 1.492 50 0 DDAARO COc1ncc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cn1 ZINC000426434446 419468184 /nfs/dbraw/zinc/46/81/84/419468184.db2.gz IYYWNXXBCLXTEL-UHFFFAOYSA-N 1 0 322.434 1.139 50 0 DDAARO Cc1ccc(CN(CCO)C(=O)NCC[NH+]2CCCC2)s1 ZINC000426509373 419496620 /nfs/dbraw/zinc/49/66/20/419496620.db2.gz MKBSXODIUDVMTL-UHFFFAOYSA-N 1 0 311.451 1.656 50 0 DDAARO C[NH2+]Cc1nnc(SCc2cccc(OC)c2OC)n1C ZINC000426536574 419503193 /nfs/dbraw/zinc/50/31/93/419503193.db2.gz WUZBVCPMHFOHJG-UHFFFAOYSA-N 1 0 308.407 1.844 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCCO)Cc1cccnc1 ZINC000426544874 419503672 /nfs/dbraw/zinc/50/36/72/419503672.db2.gz BMBGUHHBIQAVPK-INIZCTEOSA-N 1 0 320.437 1.460 50 0 DDAARO O[C@@H]1C[NH2+]C[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000426584163 419514259 /nfs/dbraw/zinc/51/42/59/419514259.db2.gz XJQIUXPFEJTAIZ-QZTJIDSGSA-N 1 0 301.434 1.066 50 0 DDAARO Cc1nc([C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)c2ccccc2F)no1 ZINC000299740058 229373908 /nfs/dbraw/zinc/37/39/08/229373908.db2.gz VCWFTDBKFVNHBJ-COPLHBTASA-N 1 0 318.352 1.850 50 0 DDAARO Cc1cccc(C)c1OC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000299747831 229391106 /nfs/dbraw/zinc/39/11/06/229391106.db2.gz FGBRLFPUIXDQGR-ZBFHGGJFSA-N 1 0 318.417 1.396 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000493758874 420935502 /nfs/dbraw/zinc/93/55/02/420935502.db2.gz SQSWFDIWFHBJEX-YYRKOSNBSA-N 1 0 301.390 1.399 50 0 DDAARO CC[NH+]1CCN(c2nc(C3CC3)nc3c(C)nn(C)c32)CC1 ZINC000057356011 273666919 /nfs/dbraw/zinc/66/69/19/273666919.db2.gz PZYDRSJNYIVFTF-UHFFFAOYSA-N 1 0 300.410 1.691 50 0 DDAARO Cc1cnc(NC[C@@H](c2ccccn2)[NH+](C)C)nc1N(C)C ZINC000065397885 274826984 /nfs/dbraw/zinc/82/69/84/274826984.db2.gz VYLQPKXMCHSAAC-AWEZNQCLSA-N 1 0 300.410 1.961 50 0 DDAARO CC[N@@H+]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106657033 276164800 /nfs/dbraw/zinc/16/48/00/276164800.db2.gz MYDYOIGQCGZYBR-KBPBESRZSA-N 1 0 303.472 1.237 50 0 DDAARO C[N@@H+]1CCN2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC000215378924 277115587 /nfs/dbraw/zinc/11/55/87/277115587.db2.gz XPDPXZRROHCLSR-SFHVURJKSA-N 1 0 323.444 1.575 50 0 DDAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000252512515 277141711 /nfs/dbraw/zinc/14/17/11/277141711.db2.gz RRQZLQGGVKCGNC-YPMHNXCESA-N 1 0 303.362 1.973 50 0 DDAARO CC(=O)NC1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCC(C)CC1 ZINC000061603992 278079602 /nfs/dbraw/zinc/07/96/02/278079602.db2.gz LCYQCOHPQXFMOJ-UHFFFAOYSA-N 1 0 321.465 1.768 50 0 DDAARO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 ZINC000089588348 278268502 /nfs/dbraw/zinc/26/85/02/278268502.db2.gz XTCMFVPPHMFJMN-KBPBESRZSA-N 1 0 305.422 1.651 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000299740311 279078914 /nfs/dbraw/zinc/07/89/14/279078914.db2.gz YGKBWNULYIZLRS-LDYMZIIASA-N 1 0 303.453 1.508 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(N2CCCC2=O)CC1 ZINC000253370307 280111189 /nfs/dbraw/zinc/11/11/89/280111189.db2.gz PCUVRMTXCCGVSU-IMJJTQAJSA-N 1 0 319.449 1.521 50 0 DDAARO CC[C@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)[NH+](C)C ZINC000124969610 281198488 /nfs/dbraw/zinc/19/84/88/281198488.db2.gz SZLSIDPBNZIYIS-CYBMUJFWSA-N 1 0 322.409 1.500 50 0 DDAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCC[NH+](C)C)C1=O ZINC000003907324 281254332 /nfs/dbraw/zinc/25/43/32/281254332.db2.gz JMEZCDBUIOPASL-CQSZACIVSA-N 1 0 319.405 1.177 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000158496291 295302076 /nfs/dbraw/zinc/30/20/76/295302076.db2.gz UPQVUGLIWDBXAA-HZPDHXFCSA-N 1 0 321.396 1.149 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000072282394 300316058 /nfs/dbraw/zinc/31/60/58/300316058.db2.gz QRLRIKRBGDAYEV-GXTWGEPZSA-N 1 0 322.430 1.479 50 0 DDAARO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000263240781 300820176 /nfs/dbraw/zinc/82/01/76/300820176.db2.gz OOYCGSKHMJCUJK-WCFLWFBJSA-N 1 0 308.344 1.810 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CC2CCCC2)CC1 ZINC000195576933 325715007 /nfs/dbraw/zinc/71/50/07/325715007.db2.gz BRIVTPZZPOPYOD-AWEZNQCLSA-N 1 0 317.499 1.122 50 0 DDAARO CCCn1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000534577409 334288008 /nfs/dbraw/zinc/28/80/08/334288008.db2.gz WWMHQMJWCMNKOK-UHFFFAOYSA-N 1 0 312.439 1.057 50 0 DDAARO NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000534651679 334312300 /nfs/dbraw/zinc/31/23/00/334312300.db2.gz UNCPBBUKYDMUOE-ZIAGYGMSSA-N 1 0 305.422 1.331 50 0 DDAARO Cc1cc(=O)cc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000534648737 334316721 /nfs/dbraw/zinc/31/67/21/334316721.db2.gz WWVAEOOVYUERCA-CYBMUJFWSA-N 1 0 303.406 1.678 50 0 DDAARO O=C([C@H]1CCC[NH2+]CC1)N1CCN(Cc2ccccc2)CC1 ZINC000534670823 334319987 /nfs/dbraw/zinc/31/99/87/334319987.db2.gz 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ZINC000302038792 529528657 /nfs/dbraw/zinc/52/86/57/529528657.db2.gz GWLOHTMSNXGABL-ZDUSSCGKSA-N 1 0 306.454 1.876 50 0 DDAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)SC)cc1 ZINC000090725729 185311269 /nfs/dbraw/zinc/31/12/69/185311269.db2.gz RLVCWTJPDATTSP-MNOVXSKESA-N 1 0 302.465 1.997 50 0 DDAARO CCC[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CCOC3)cc2C1 ZINC000082120828 192359258 /nfs/dbraw/zinc/35/92/58/192359258.db2.gz WQNJSOZOEKLCIA-ZDUSSCGKSA-N 1 0 306.410 1.152 50 0 DDAARO C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000095419122 185359970 /nfs/dbraw/zinc/35/99/70/185359970.db2.gz AASCDYYQNHEFSG-AWEZNQCLSA-N 1 0 303.406 1.383 50 0 DDAARO [NH3+][C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000095432037 185363533 /nfs/dbraw/zinc/36/35/33/185363533.db2.gz SBUZLLHMYONRRX-HNNXBMFYSA-N 1 0 308.378 1.945 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000095432034 185363665 /nfs/dbraw/zinc/36/36/65/185363665.db2.gz OAXWQTDWLCBVKW-HNNXBMFYSA-N 1 0 320.414 1.982 50 0 DDAARO CCCn1cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cn1 ZINC000095436224 185365029 /nfs/dbraw/zinc/36/50/29/185365029.db2.gz JQKVBVUYGJZUJP-IRXDYDNUSA-N 1 0 303.406 1.867 50 0 DDAARO CSCC[C@H](O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095451497 185368970 /nfs/dbraw/zinc/36/89/70/185368970.db2.gz XAXYYTNQMFLECA-GJZGRUSLSA-N 1 0 310.463 1.828 50 0 DDAARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1 ZINC000097020553 185398282 /nfs/dbraw/zinc/39/82/82/185398282.db2.gz VYYCSJSEYKAVJV-JSGCOSHPSA-N 1 0 300.399 1.763 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000097033287 185399599 /nfs/dbraw/zinc/39/95/99/185399599.db2.gz WFZFHKTZNFPJFU-JKSUJKDBSA-N 1 0 319.430 1.928 50 0 DDAARO CC(C)n1cncc1C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000097117046 185412809 /nfs/dbraw/zinc/41/28/09/185412809.db2.gz DMZPQBUUSFAQAZ-UHFFFAOYSA-N 1 0 319.409 1.322 50 0 DDAARO c1cc(CN2CCN([C@H]3CCC[NH2+]C3)CC2)cc2c1OCO2 ZINC000071730313 191016892 /nfs/dbraw/zinc/01/68/92/191016892.db2.gz XIAHEIBEXFALRU-HNNXBMFYSA-N 1 0 303.406 1.285 50 0 DDAARO O=C(CN1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCCCC1 ZINC000072138893 191048247 /nfs/dbraw/zinc/04/82/47/191048247.db2.gz TUBBODKTZOVZAV-KRWDZBQOSA-N 1 0 305.466 1.973 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000072126595 191042536 /nfs/dbraw/zinc/04/25/36/191042536.db2.gz SOOJRTDOISHGHK-HNNXBMFYSA-N 1 0 312.797 1.574 50 0 DDAARO CCCc1nc2c(cnn2C)c(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000072145249 191051479 /nfs/dbraw/zinc/05/14/79/191051479.db2.gz OXODJEMASYNBCE-QGZVFWFLSA-N 1 0 314.437 1.896 50 0 DDAARO O=C(NC[C@@]1(O)CCC[NH2+]CC1)c1cc(-c2ccccc2)on1 ZINC000072151216 191055837 /nfs/dbraw/zinc/05/58/37/191055837.db2.gz RXRZRRVQONFZDP-QGZVFWFLSA-N 1 0 315.373 1.576 50 0 DDAARO O=S(=O)(Cc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277694 191098575 /nfs/dbraw/zinc/09/85/75/191098575.db2.gz XTDGKUIEWOUTNX-CYBMUJFWSA-N 1 0 314.838 1.950 50 0 DDAARO Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)c1ccccc1F)CC2 ZINC000072302238 191115743 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c1c(C[NH2+]C[C@@H]2CCCN2c2cccnn2)nc2ccccn12 ZINC000072276726 353196420 /nfs/dbraw/zinc/19/64/20/353196420.db2.gz IEGZGSJBJGFDKW-HNNXBMFYSA-N 1 0 308.389 1.883 50 0 DDAARO Cn1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1=O ZINC000071833226 353192871 /nfs/dbraw/zinc/19/28/71/353192871.db2.gz GNRNIFUIICIXQC-UHFFFAOYSA-N 1 0 318.808 1.756 50 0 DDAARO CCN(C)c1cccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000076020125 353390915 /nfs/dbraw/zinc/39/09/15/353390915.db2.gz RKVQGPDQGIZCOY-UHFFFAOYSA-N 1 0 320.437 1.721 50 0 DDAARO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCc3ccncc3)C2)C1=O ZINC000076059040 353395509 /nfs/dbraw/zinc/39/55/09/353395509.db2.gz BRUZOLXEWSLIPB-WMLDXEAASA-N 1 0 316.405 1.276 50 0 DDAARO NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)c1 ZINC000075584863 353369512 /nfs/dbraw/zinc/36/95/12/353369512.db2.gz ZBPGPBSBESAPOT-HNNXBMFYSA-N 1 0 311.389 1.334 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCn1cccc1 ZINC000084458248 353722623 /nfs/dbraw/zinc/72/26/23/353722623.db2.gz VZNZYQOGXZGFHC-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/79/46/95/354794695.db2.gz MCMMYLKEJWGKFR-KRWDZBQOSA-N 1 0 304.434 1.891 50 0 DDAARO CCOC(=O)N1CC[C@@H]([NH+]2CCC3(CCC(=O)N(C)C3)CC2)C1 ZINC000584896280 354797250 /nfs/dbraw/zinc/79/72/50/354797250.db2.gz QLJKMESHACFCDO-CQSZACIVSA-N 1 0 323.437 1.552 50 0 DDAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000004996551 181187459 /nfs/dbraw/zinc/18/74/59/181187459.db2.gz BMWJYAWLINOLDK-LSDHHAIUSA-N 1 0 318.373 1.486 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000237090195 202150023 /nfs/dbraw/zinc/15/00/23/202150023.db2.gz JODQPTPEKBQZGT-CYBMUJFWSA-N 1 0 319.430 1.855 50 0 DDAARO Cc1c(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cnn1C ZINC000624390117 366350219 /nfs/dbraw/zinc/35/02/19/366350219.db2.gz VPUDCAQOGOVTRS-UHFFFAOYSA-N 1 0 320.418 1.329 50 0 DDAARO COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000237103081 202154264 /nfs/dbraw/zinc/15/42/64/202154264.db2.gz JIEFVDOMWZLDGQ-MJBXVCDLSA-N 1 0 303.406 1.518 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1cccc2cccnc21 ZINC000237155314 202170148 /nfs/dbraw/zinc/17/01/48/202170148.db2.gz CDPOPGSDMKDMHB-HNNXBMFYSA-N 1 0 319.430 1.748 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000237164809 202173829 /nfs/dbraw/zinc/17/38/29/202173829.db2.gz GQOQEVUIQYAEDH-HZPDHXFCSA-N 1 0 317.433 1.609 50 0 DDAARO COc1ccc([C@@H](CC(=O)N2CCC[C@H]2C[NH3+])NC(C)=O)cc1 ZINC000237198745 202186683 /nfs/dbraw/zinc/18/66/83/202186683.db2.gz CIXKIEPGGXWRHR-GOEBONIOSA-N 1 0 319.405 1.212 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000237259708 202208055 /nfs/dbraw/zinc/20/80/55/202208055.db2.gz ZKIBXSXYCSRJNZ-AWEZNQCLSA-N 1 0 315.417 1.667 50 0 DDAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000237409081 202258232 /nfs/dbraw/zinc/25/82/32/202258232.db2.gz JWQWZSHQCDSQFP-MGPQQGTHSA-N 1 0 321.421 1.452 50 0 DDAARO COC(=O)N1CCCC[C@H]1C(=O)NCCNc1cc[nH+]cc1C ZINC000222607437 291184292 /nfs/dbraw/zinc/18/42/92/291184292.db2.gz QUKWWOVRXOQESN-AWEZNQCLSA-N 1 0 320.393 1.539 50 0 DDAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)nnn1-c1cccc2cccnc21 ZINC000237766560 202348741 /nfs/dbraw/zinc/34/87/41/202348741.db2.gz ISSHSLDYVUDJAK-ZDUSSCGKSA-N 1 0 322.372 1.297 50 0 DDAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CC[NH2+]CC1 ZINC000237820877 202363148 /nfs/dbraw/zinc/36/31/48/202363148.db2.gz AKGBXEAFDOPVRC-UHFFFAOYSA-N 1 0 305.769 1.275 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000237961140 202404355 /nfs/dbraw/zinc/40/43/55/202404355.db2.gz GPJOJLNGAWIZBF-DZGCQCFKSA-N 1 0 303.406 1.267 50 0 DDAARO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cnn1-c1ccccc1F ZINC000195116701 201340896 /nfs/dbraw/zinc/34/08/96/201340896.db2.gz CWIGMYMZVZNAOQ-LBPRGKRZSA-N 1 0 302.353 1.883 50 0 DDAARO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000195315946 201379774 /nfs/dbraw/zinc/37/97/74/201379774.db2.gz GDEODOLLRJMRCG-TZMCWYRMSA-N 1 0 304.456 1.205 50 0 DDAARO C[NH2+]CC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000091365160 193046627 /nfs/dbraw/zinc/04/66/27/193046627.db2.gz LCLNXCGFHYTDPF-AWEZNQCLSA-N 1 0 320.343 1.864 50 0 DDAARO C/C(=C\c1ccco1)CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091410678 193052573 /nfs/dbraw/zinc/05/25/73/193052573.db2.gz UKRNKJRMDXZWPE-XOVFHRFOSA-N 1 0 317.433 1.969 50 0 DDAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000091643309 193083737 /nfs/dbraw/zinc/08/37/37/193083737.db2.gz UMSZPEKLWMKECE-KGLIPLIRSA-N 1 0 324.446 1.008 50 0 DDAARO NC(=O)C1CC[NH+](CC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000091625298 193080892 /nfs/dbraw/zinc/08/08/92/193080892.db2.gz HQHCQOGBJUXYGJ-OAHLLOKOSA-N 1 0 319.380 1.296 50 0 DDAARO CCC[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH3+] ZINC000091974071 193134962 /nfs/dbraw/zinc/13/49/62/193134962.db2.gz KCKOSQWIQQKGQU-ZFWWWQNUSA-N 1 0 324.446 1.218 50 0 DDAARO C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000092064758 193151256 /nfs/dbraw/zinc/15/12/56/193151256.db2.gz ITIBRDUWMHHNEA-QAPCUYQASA-N 1 0 324.465 1.498 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000044941875 284062266 /nfs/dbraw/zinc/06/22/66/284062266.db2.gz YFBWICFXXKNYDL-HZPDHXFCSA-N 1 0 313.401 1.928 50 0 DDAARO c1ncn(-c2ccccc2Cn2cc([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000095359497 193430875 /nfs/dbraw/zinc/43/08/75/193430875.db2.gz SYHLLVATTTWSQT-ZDUSSCGKSA-N 1 0 309.377 1.374 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccccc2)n1 ZINC000229386638 284200654 /nfs/dbraw/zinc/20/06/54/284200654.db2.gz GIKQKSSFUSXXML-HOCLYGCPSA-N 1 0 311.389 1.624 50 0 DDAARO OCCCCC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000266021372 205033841 /nfs/dbraw/zinc/03/38/41/205033841.db2.gz PEVIAWGCRSDPCT-UHFFFAOYSA-N 1 0 306.435 1.976 50 0 DDAARO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000288571348 220246584 /nfs/dbraw/zinc/24/65/84/220246584.db2.gz QXEFXVAYHWTALQ-KRWDZBQOSA-N 1 0 302.418 1.752 50 0 DDAARO C[NH+]1CCN(CCOCCOc2ccc3c(c2)CCC3)CC1 ZINC000020639811 182240650 /nfs/dbraw/zinc/24/06/50/182240650.db2.gz QEZRJYXQKJFGEG-UHFFFAOYSA-N 1 0 304.434 1.818 50 0 DDAARO C[C@@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1Cl ZINC000021324078 182272213 /nfs/dbraw/zinc/27/22/13/182272213.db2.gz CNWHQRINSGXFFD-LLVKDONJSA-N 1 0 323.824 1.715 50 0 DDAARO CCc1nnsc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000022694264 182331348 /nfs/dbraw/zinc/33/13/48/182331348.db2.gz MJERHOLRVDKHPX-LLVKDONJSA-N 1 0 312.439 1.187 50 0 DDAARO C[NH+]1CCN(CCC2N=NC(=S)N2c2ccccc2)CC1 ZINC000022454537 182321990 /nfs/dbraw/zinc/32/19/90/182321990.db2.gz VJAZXNZAIUWAQZ-UHFFFAOYSA-N 1 0 303.435 1.346 50 0 DDAARO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000022465844 182322996 /nfs/dbraw/zinc/32/29/96/182322996.db2.gz WONTZVDBJAIKFS-ZWKOTPCHSA-N 1 0 322.449 1.125 50 0 DDAARO O=C(CCn1cccn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040480659 183076916 /nfs/dbraw/zinc/07/69/16/183076916.db2.gz FITIJHJATYDTAP-CQSZACIVSA-N 1 0 302.378 1.820 50 0 DDAARO CC1CC[NH+](CCNC(=O)CCNC(=O)c2cccs2)CC1 ZINC000040534665 183094473 /nfs/dbraw/zinc/09/44/73/183094473.db2.gz KULNGLDRWOJTNW-UHFFFAOYSA-N 1 0 323.462 1.716 50 0 DDAARO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000040554315 183100921 /nfs/dbraw/zinc/10/09/21/183100921.db2.gz SMMXQMRNZHMYPA-ZDUSSCGKSA-N 1 0 303.341 1.165 50 0 DDAARO C[C@H]1CN(C(=O)NCc2noc(C3CC3)n2)CC[N@@H+](C2CC2)C1 ZINC000334015961 249180011 /nfs/dbraw/zinc/18/00/11/249180011.db2.gz YWBDZBKMLFZGIR-LLVKDONJSA-N 1 0 319.409 1.573 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cncc(Br)c1 ZINC000042200171 183241586 /nfs/dbraw/zinc/24/15/86/183241586.db2.gz TXGQQVURBKERGV-UHFFFAOYSA-N 1 0 300.200 1.916 50 0 DDAARO CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000042364329 183259416 /nfs/dbraw/zinc/25/94/16/183259416.db2.gz BFAKAEJRTSYHLV-BDAKNGLRSA-N 1 0 319.224 1.192 50 0 DDAARO CN1N=C(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC1=O ZINC000044893687 183450199 /nfs/dbraw/zinc/45/01/99/183450199.db2.gz RPASLQNRGNSBCJ-LLVKDONJSA-N 1 0 308.407 1.075 50 0 DDAARO Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000104363197 194002578 /nfs/dbraw/zinc/00/25/78/194002578.db2.gz BAJFKHQNKQIZOY-LLVKDONJSA-N 1 0 302.827 1.926 50 0 DDAARO C[C@H](C(=O)N1CCc2ccccc21)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000106787359 194253665 /nfs/dbraw/zinc/25/36/65/194253665.db2.gz FUTRTMIFIQZHMR-ZBFHGGJFSA-N 1 0 317.433 1.227 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000050246598 183778876 /nfs/dbraw/zinc/77/88/76/183778876.db2.gz GFGVIUKYWKFQQL-SECBINFHSA-N 1 0 319.224 1.418 50 0 DDAARO Cn1cnnc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057155017 184028475 /nfs/dbraw/zinc/02/84/75/184028475.db2.gz PZZMUMZKFXKIAV-OAHLLOKOSA-N 1 0 313.405 1.344 50 0 DDAARO COc1ccc(C(C)(C)C(=O)N2CCC[NH2+]CC2)cc1OC ZINC000057636408 184043601 /nfs/dbraw/zinc/04/36/01/184043601.db2.gz HFKBSLJCCDIVJC-UHFFFAOYSA-N 1 0 306.406 1.803 50 0 DDAARO CCc1ccc(OCC(=O)NC2CC[NH+](CCOC)CC2)cc1 ZINC000058017698 184067660 /nfs/dbraw/zinc/06/76/60/184067660.db2.gz IAKGIKIPJWRROC-UHFFFAOYSA-N 1 0 320.433 1.855 50 0 DDAARO O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060567617 184152607 /nfs/dbraw/zinc/15/26/07/184152607.db2.gz IGNTZYXKZCLCPU-QWRGUYRKSA-N 1 0 316.327 1.645 50 0 DDAARO CC(=O)c1c(C)nn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000065384471 184333383 /nfs/dbraw/zinc/33/33/83/184333383.db2.gz GABUMRCAQAKKPE-KGLIPLIRSA-N 1 0 304.394 1.055 50 0 DDAARO O=C(C[NH2+]Cc1ccccc1Cn1cccn1)Nc1cnccn1 ZINC000065370789 184329288 /nfs/dbraw/zinc/32/92/88/184329288.db2.gz BYWWFUGNUAGVDT-UHFFFAOYSA-N 1 0 322.372 1.450 50 0 DDAARO C[NH+](C)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000065553284 184365584 /nfs/dbraw/zinc/36/55/84/184365584.db2.gz LSBQQPYDSMEQIN-UHFFFAOYSA-N 1 0 300.362 1.089 50 0 DDAARO Cc1cccc(NC[C@H]2CC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000065575372 184367489 /nfs/dbraw/zinc/36/74/89/184367489.db2.gz FCUXYLANBNENBH-CYBMUJFWSA-N 1 0 319.409 1.099 50 0 DDAARO O[C@H](COCc1ccco1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065589490 184369217 /nfs/dbraw/zinc/36/92/17/184369217.db2.gz 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CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccccc1F ZINC000069627356 406746886 /nfs/dbraw/zinc/74/68/86/406746886.db2.gz VPLWPMGUIYQHKD-LBPRGKRZSA-N 1 0 302.415 1.975 50 0 DDAARO Cc1nc2ccccc2nc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000069653984 406751317 /nfs/dbraw/zinc/75/13/17/406751317.db2.gz YNSFWSMXDYVISP-ZDUSSCGKSA-N 1 0 300.406 1.437 50 0 DDAARO CC(C)(C)c1ccc(OCCN2CC[NH+](CCO)CC2)cc1 ZINC000069774155 406772403 /nfs/dbraw/zinc/77/24/03/406772403.db2.gz MPEFZTQCEXCYBS-UHFFFAOYSA-N 1 0 306.450 1.973 50 0 DDAARO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(N)=O)CC1 ZINC000007388520 406754864 /nfs/dbraw/zinc/75/48/64/406754864.db2.gz IYPLKVOMCFYNFZ-LBPRGKRZSA-N 1 0 301.390 1.162 50 0 DDAARO CC[C@H](CNC(=O)C[NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000069740470 406765231 /nfs/dbraw/zinc/76/52/31/406765231.db2.gz BAKDTTONFCIYIE-WBVHZDCISA-N 1 0 319.449 1.217 50 0 DDAARO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@H]1C ZINC000069770461 406768071 /nfs/dbraw/zinc/76/80/71/406768071.db2.gz GTVCRVWVKHRDCU-LLVKDONJSA-N 1 0 310.419 1.689 50 0 DDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC000069455061 406715306 /nfs/dbraw/zinc/71/53/06/406715306.db2.gz ATFLHHAUVOHSCA-GXTWGEPZSA-N 1 0 305.426 1.736 50 0 DDAARO COCCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069485753 406719230 /nfs/dbraw/zinc/71/92/30/406719230.db2.gz RBLBIYRVRJYDMN-AWEZNQCLSA-N 1 0 318.417 1.926 50 0 DDAARO C[C@H]1C[C@H](C)C[NH+](CCNc2ncc(S(N)(=O)=O)s2)C1 ZINC000069487108 406719552 /nfs/dbraw/zinc/71/95/52/406719552.db2.gz BMEIHNOIVKNJLX-UWVGGRQHSA-N 1 0 318.468 1.180 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000069490155 406721772 /nfs/dbraw/zinc/72/17/72/406721772.db2.gz DUTLDTPCIPOLCP-AWEZNQCLSA-N 1 0 300.410 1.760 50 0 DDAARO CC(=O)N1CCC(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)CC1 ZINC000069491227 406722922 /nfs/dbraw/zinc/72/29/22/406722922.db2.gz LKMRYDNRXJKJRA-KRWDZBQOSA-N 1 0 320.437 1.151 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000069490826 406723302 /nfs/dbraw/zinc/72/33/02/406723302.db2.gz CNDMAIIPHALWQV-RYUDHWBXSA-N 1 0 307.398 1.061 50 0 DDAARO COCC[N@H+](C)CCNC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000069530181 406729243 /nfs/dbraw/zinc/72/92/43/406729243.db2.gz LSSZPPJBRZSZLB-UHFFFAOYSA-N 1 0 324.421 1.790 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000069811723 406776653 /nfs/dbraw/zinc/77/66/53/406776653.db2.gz YHWNQEJBDGVCDY-BBWFWOEESA-N 1 0 317.433 1.754 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cscn1 ZINC000069874900 406785715 /nfs/dbraw/zinc/78/57/15/406785715.db2.gz IDMTYCXEFLKOAF-GJBLVYBDSA-N 1 0 309.435 1.726 50 0 DDAARO Cc1nc2c(cnn2C)c(N2CC[NH+](CCOC(C)C)CC2)n1 ZINC000069947182 406793873 /nfs/dbraw/zinc/79/38/73/406793873.db2.gz XTVLUYXBFDIWDT-UHFFFAOYSA-N 1 0 318.425 1.219 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000009134608 406803167 /nfs/dbraw/zinc/80/31/67/406803167.db2.gz GLQVWSZFTLTDCC-NSHDSACASA-N 1 0 310.785 1.274 50 0 DDAARO COCC[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC000070015567 406804117 /nfs/dbraw/zinc/80/41/17/406804117.db2.gz GIRCHBDXBCUEFV-OAHLLOKOSA-N 1 0 315.421 1.420 50 0 DDAARO C[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070177251 406811485 /nfs/dbraw/zinc/81/14/85/406811485.db2.gz MSRYNILLOOGWCS-SMDDNHRTSA-N 1 0 300.399 1.715 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000071144912 406833671 /nfs/dbraw/zinc/83/36/71/406833671.db2.gz FCWYWGKSXAWYRV-VIFPVBQESA-N 1 0 306.790 1.709 50 0 DDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000071310498 406837005 /nfs/dbraw/zinc/83/70/05/406837005.db2.gz OSLFWGZBTOWHMH-VIFPVBQESA-N 1 0 309.218 1.976 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1 ZINC000071819971 406846127 /nfs/dbraw/zinc/84/61/27/406846127.db2.gz LSZRMBXGTWYYGD-AWEZNQCLSA-N 1 0 303.337 1.547 50 0 DDAARO COc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(OC)c1 ZINC000071867448 406856692 /nfs/dbraw/zinc/85/66/92/406856692.db2.gz 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1.627 50 0 DDAARO Nc1nccnc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027607399 406912789 /nfs/dbraw/zinc/91/27/89/406912789.db2.gz VHHZMDJCTROOLI-LLVKDONJSA-N 1 0 317.418 1.687 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(=O)[nH]1 ZINC000075118466 406922539 /nfs/dbraw/zinc/92/25/39/406922539.db2.gz HIDQPCLCCMOWPY-CYBMUJFWSA-N 1 0 305.403 1.778 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 ZINC000075166836 406925710 /nfs/dbraw/zinc/92/57/10/406925710.db2.gz KSZAFGRPTDYJNV-UHFFFAOYSA-N 1 0 307.394 1.640 50 0 DDAARO CCn1ccnc1CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000036385579 406979550 /nfs/dbraw/zinc/97/95/50/406979550.db2.gz LATNIGNSCQDDOK-MRXNPFEDSA-N 1 0 308.470 1.818 50 0 DDAARO CCCC[N@H+](CCO)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000030529563 406932192 /nfs/dbraw/zinc/93/21/92/406932192.db2.gz FLYYSMOQHZJOJC-INIZCTEOSA-N 1 0 324.421 1.479 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000044502484 407024993 /nfs/dbraw/zinc/02/49/93/407024993.db2.gz 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406993540 /nfs/dbraw/zinc/99/35/40/406993540.db2.gz SSFMITTWLIBXAW-KRWDZBQOSA-N 1 0 306.454 1.716 50 0 DDAARO C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000048313777 407095281 /nfs/dbraw/zinc/09/52/81/407095281.db2.gz LXMRKXXXZJFOCU-GXTWGEPZSA-N 1 0 321.450 1.935 50 0 DDAARO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000089780916 407148721 /nfs/dbraw/zinc/14/87/21/407148721.db2.gz VVLKVWJHLCISDW-IAGOWNOFSA-N 1 0 313.401 1.839 50 0 DDAARO O=C(NCC1(c2ccccc2)CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000089827725 407151775 /nfs/dbraw/zinc/15/17/75/407151775.db2.gz WEHFRPLFGYSJEM-QGZVFWFLSA-N 1 0 313.445 1.614 50 0 DDAARO COCC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C1CCCC1 ZINC000052827692 407157752 /nfs/dbraw/zinc/15/77/52/407157752.db2.gz JTEMNGNPPGGVRS-UHFFFAOYSA-N 1 0 305.382 1.048 50 0 DDAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000053203101 407165230 /nfs/dbraw/zinc/16/52/30/407165230.db2.gz FCGAVTKEVQUOGD-SNVBAGLBSA-N 1 0 306.790 1.852 50 0 DDAARO 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ZINC000257365837 418567369 /nfs/dbraw/zinc/56/73/69/418567369.db2.gz UASLNIZSPWCWBQ-KGLIPLIRSA-N 1 0 314.393 1.555 50 0 DDAARO O=C(CN1CCC[C@@H]([NH+]2CCCCCC2)C1)NC[C@H]1CCCO1 ZINC000239667690 222210891 /nfs/dbraw/zinc/21/08/91/222210891.db2.gz BRKYFOGYMVDPJC-IAGOWNOFSA-N 1 0 323.481 1.622 50 0 DDAARO COCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000372340898 418859163 /nfs/dbraw/zinc/85/91/63/418859163.db2.gz WMTLKZPVNCZZNM-ZSHCYNCHSA-N 1 0 302.418 1.906 50 0 DDAARO C[C@@H]1CN(C(C)(C)C[NH2+]CC(C)(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000126315485 296941367 /nfs/dbraw/zinc/94/13/67/296941367.db2.gz FMZNEPYGMMEQMG-BETUJISGSA-N 1 0 320.499 1.287 50 0 DDAARO Cc1cc(C)c(CN2CCO[C@@H](C[NH3+])C2)cc1Cn1cncn1 ZINC000426395442 419456223 /nfs/dbraw/zinc/45/62/23/419456223.db2.gz VYQNNMBTRCIEBA-KRWDZBQOSA-N 1 0 315.421 1.103 50 0 DDAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)N(CCO)Cc1ccc(F)cc1 ZINC000426425422 419469381 /nfs/dbraw/zinc/46/93/81/419469381.db2.gz NCBHBGVNCMNHJX-MRXNPFEDSA-N 1 0 323.412 1.814 50 0 DDAARO O=C(NCC[C@H]1CCCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426606792 419517732 /nfs/dbraw/zinc/51/77/32/419517732.db2.gz SJROZGFUPLKJFS-MRXNPFEDSA-N 1 0 318.421 1.872 50 0 DDAARO Cc1cc(CN(C)C(=O)Cc2ccc(OCC[NH3+])cc2)on1 ZINC000426658357 419524701 /nfs/dbraw/zinc/52/47/01/419524701.db2.gz LOGKESQRALYXRO-UHFFFAOYSA-N 1 0 303.362 1.522 50 0 DDAARO CCNC(=O)CSc1nnc(CC[NH3+])n1-c1ccccc1F ZINC000426690772 419530655 /nfs/dbraw/zinc/53/06/55/419530655.db2.gz XPIVKUUCUHRBCD-UHFFFAOYSA-N 1 0 323.397 1.136 50 0 DDAARO CNC(=O)c1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1OC ZINC000426582915 419510098 /nfs/dbraw/zinc/51/00/98/419510098.db2.gz WGMSPWBQDLBHHT-LBPRGKRZSA-N 1 0 320.393 1.223 50 0 DDAARO CCC[C@@](C)([NH3+])C(=O)Nc1c[nH]cc(Br)c1=O ZINC000423757793 420164246 /nfs/dbraw/zinc/16/42/46/420164246.db2.gz DSZRSMCHULNWDM-LLVKDONJSA-N 1 0 302.172 1.593 50 0 DDAARO CN(C)c1nc2c(c(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)n1)CCCC2 ZINC000095391469 273823818 /nfs/dbraw/zinc/82/38/18/273823818.db2.gz OEJBBOXCLBWNAN-KGLIPLIRSA-N 1 0 301.438 1.595 50 0 DDAARO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1CC ZINC000240902773 276283765 /nfs/dbraw/zinc/28/37/65/276283765.db2.gz IVGZKAKJXRBRIA-UGQVUOCMSA-N 1 0 311.470 1.916 50 0 DDAARO COCC[N@H+](CCNC(=O)c1nc(C)n2ccccc12)C1CC1 ZINC000095400518 277216806 /nfs/dbraw/zinc/21/68/06/277216806.db2.gz YYTRPXQPLOJBTK-UHFFFAOYSA-N 1 0 316.405 1.483 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000071144437 277279976 /nfs/dbraw/zinc/27/99/76/277279976.db2.gz RNROTAVFTZZVAO-JTQLQIEISA-N 1 0 322.352 1.935 50 0 DDAARO C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229273794 279006746 /nfs/dbraw/zinc/00/67/46/279006746.db2.gz YRVZTFPKFYPDMY-BPLDGKMQSA-N 1 0 315.417 1.978 50 0 DDAARO Cc1cccc(OC[C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000230086127 281250708 /nfs/dbraw/zinc/25/07/08/281250708.db2.gz WVVFQRNHYHCJNP-BRWVUGGUSA-N 1 0 304.434 1.903 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](CCNS(=O)(=O)N2CCCCCC2)C1 ZINC000046035350 288478519 /nfs/dbraw/zinc/47/85/19/288478519.db2.gz PCYMSFDGNRXSEY-HUUCEWRRSA-N 1 0 317.499 1.675 50 0 DDAARO Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000237610742 293243723 /nfs/dbraw/zinc/24/37/23/293243723.db2.gz AWOHZFQHCIBQCR-WDEREUQCSA-N 1 0 303.453 1.556 50 0 DDAARO NC(=O)NC(=O)CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000023078114 295070019 /nfs/dbraw/zinc/07/00/19/295070019.db2.gz PVVSQOMUYBPRCI-NSHDSACASA-N 1 0 311.407 1.314 50 0 DDAARO Cc1ccc2[nH]c(CCNC(=O)N3CC[NH2+][C@H](C)C3)nc2c1C ZINC000534671365 334320649 /nfs/dbraw/zinc/32/06/49/334320649.db2.gz VEGJLQACBFBZAQ-GFCCVEGCSA-N 1 0 315.421 1.726 50 0 DDAARO C[NH+](C)C1(CNC(=O)CCN2CCOCC2)CCCCCC1 ZINC000534661739 334321957 /nfs/dbraw/zinc/32/19/57/334321957.db2.gz LDUKHAFEENCITO-UHFFFAOYSA-N 1 0 311.470 1.480 50 0 DDAARO Cc1ncn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(=O)c1C ZINC000097238477 337382563 /nfs/dbraw/zinc/38/25/63/337382563.db2.gz QHZCPTQUSAGWDG-KRWDZBQOSA-N 1 0 313.401 1.279 50 0 DDAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCc1cnn(C)c1 ZINC000085402358 484003354 /nfs/dbraw/zinc/00/33/54/484003354.db2.gz UTAAHNPDLOFRQH-ZBFHGGJFSA-N 1 0 321.469 1.724 50 0 DDAARO O=C(N1CCC[N@@H+](C2CCOCC2)CC1)C1(O)CCCCC1 ZINC000086588034 484006049 /nfs/dbraw/zinc/00/60/49/484006049.db2.gz LXFHWIOVBKCFAU-UHFFFAOYSA-N 1 0 310.438 1.395 50 0 DDAARO Cc1ccc(CNC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091289237 484012247 /nfs/dbraw/zinc/01/22/47/484012247.db2.gz HECRCIQCSWHYQP-HZPDHXFCSA-N 1 0 305.422 1.307 50 0 DDAARO CCCn1nccc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000670435558 484827776 /nfs/dbraw/zinc/82/77/76/484827776.db2.gz ZQLMIDPOYHPXMN-UHFFFAOYSA-N 1 0 300.428 1.009 50 0 DDAARO Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)cn1C ZINC000670435028 484827928 /nfs/dbraw/zinc/82/79/28/484827928.db2.gz YSOZATBGHWNNQQ-KBPBESRZSA-N 1 0 303.406 1.250 50 0 DDAARO OC[C@@H]1C[NH+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1CO ZINC000670461641 484845449 /nfs/dbraw/zinc/84/54/49/484845449.db2.gz GLVDVCYIGOKSTA-QWRGUYRKSA-N 1 0 307.287 1.877 50 0 DDAARO C[C@@H](SCC[NH+](C)C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157770895 525973490 /nfs/dbraw/zinc/97/34/90/525973490.db2.gz YOFMUKLVGGBMGW-LLVKDONJSA-N 1 0 307.419 1.655 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)C1 ZINC000158233455 527347292 /nfs/dbraw/zinc/34/72/92/527347292.db2.gz LOGJAYYSJDXVAW-OCCSQVGLSA-N 1 0 323.343 1.267 50 0 DDAARO COc1ccc(-c2cnnc(N3CC[N@H+](C)[C@@H](C)C3)n2)cc1F ZINC000012575756 696050546 /nfs/dbraw/zinc/05/05/46/696050546.db2.gz BCICZEPLOGZQRZ-NSHDSACASA-N 1 0 317.368 1.827 50 0 DDAARO CC[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014541531 696055534 /nfs/dbraw/zinc/05/55/34/696055534.db2.gz PEEPHQXJEYMIHA-LLVKDONJSA-N 1 0 318.446 1.878 50 0 DDAARO CC(C)CN(Cc1ccccn1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000055166714 696282474 /nfs/dbraw/zinc/28/24/74/696282474.db2.gz TVBRFLOPNBASBD-HNNXBMFYSA-N 1 0 301.394 1.359 50 0 DDAARO CCOC(=O)N1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000060178753 696309783 /nfs/dbraw/zinc/30/97/83/696309783.db2.gz HELAUODLTBJMLC-UHFFFAOYSA-N 1 0 319.409 1.220 50 0 DDAARO CSCCc1nc(CNC(C)=O)n(C2CC[NH+](C)CC2)n1 ZINC000095375349 696602847 /nfs/dbraw/zinc/60/28/47/696602847.db2.gz OMHUCKPLMOFGSX-UHFFFAOYSA-N 1 0 311.455 1.086 50 0 DDAARO O=C(C[NH+]1CCCCCC1)NC[C@@]12CCCC=C1NC(=O)CC2 ZINC000169785310 697345787 /nfs/dbraw/zinc/34/57/87/697345787.db2.gz RWFBSHLGBUHPGT-SFHVURJKSA-N 1 0 319.449 1.943 50 0 DDAARO Cc1nc(COc2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2)no1 ZINC000184197219 697500325 /nfs/dbraw/zinc/50/03/25/697500325.db2.gz MGUGKGLYBQUBIY-MRXNPFEDSA-N 1 0 319.361 1.198 50 0 DDAARO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000185443607 697518202 /nfs/dbraw/zinc/51/82/02/697518202.db2.gz FBOWVWTYNVTMLE-ZDUSSCGKSA-N 1 0 315.421 1.963 50 0 DDAARO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000812331819 702156011 /nfs/dbraw/zinc/15/60/11/702156011.db2.gz HYRSIKNLUOPCSM-HZSPNIEDSA-N 1 0 323.437 1.406 50 0 DDAARO COc1ccccc1CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000864091580 706065601 /nfs/dbraw/zinc/06/56/01/706065601.db2.gz DHZIWOHCXFUTKB-UHFFFAOYSA-N 1 0 317.389 1.252 50 0 DDAARO CCNC(=O)N1CCc2ccc(NC(=O)C3([NH2+]C)CCC3)cc21 ZINC000888096844 709212035 /nfs/dbraw/zinc/21/20/35/709212035.db2.gz TVVPPYYVCSMSOY-UHFFFAOYSA-N 1 0 316.405 1.859 50 0 DDAARO CC[C@H]1CN(C(=O)c2ncoc2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000888097126 709212603 /nfs/dbraw/zinc/21/26/03/709212603.db2.gz BLGQWGPEADHXPA-YPMHNXCESA-N 1 0 307.394 1.781 50 0 DDAARO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[C@@H](OC(=O)N(C)C)C3)C[N@@H+]2C1 ZINC000952995186 721534498 /nfs/dbraw/zinc/53/44/98/721534498.db2.gz CWJFXTWSWYPDBO-APIJFGDWSA-N 1 0 323.437 1.406 50 0 DDAARO COc1cccc(/C(C)=C/C(=O)N2CC[C@]3(C2)C[NH2+]CCO3)c1 ZINC000952994994 721534555 /nfs/dbraw/zinc/53/45/55/721534555.db2.gz ZMWURYBDFIIQSQ-PMXLPMHFSA-N 1 0 316.401 1.689 50 0 DDAARO COCCC1(NC(=O)C2CC2)CC[NH+](Cc2ccccn2)CC1 ZINC000581804657 736204056 /nfs/dbraw/zinc/20/40/56/736204056.db2.gz 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O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065593896 184370366 /nfs/dbraw/zinc/37/03/66/184370366.db2.gz KODAXIRSLTZWAR-DLBZAZTESA-N 1 0 323.437 1.152 50 0 DDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000066125974 184391170 /nfs/dbraw/zinc/39/11/70/184391170.db2.gz GAAGCMROTAPNST-CYBMUJFWSA-N 1 0 316.409 1.051 50 0 DDAARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccccc2)n1 ZINC000065612233 184373686 /nfs/dbraw/zinc/37/36/86/184373686.db2.gz LIJUMIRYJFMISN-KRWDZBQOSA-N 1 0 323.400 1.833 50 0 DDAARO CC[NH+](CC)CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC000067732748 184483367 /nfs/dbraw/zinc/48/33/67/184483367.db2.gz HHIFAQSUAGLVDM-NSHDSACASA-N 1 0 301.456 1.144 50 0 DDAARO CCN1CC2(CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)OC1=O ZINC000077437282 285183052 /nfs/dbraw/zinc/18/30/52/285183052.db2.gz PNKHBUHGBUZHEP-ZDUSSCGKSA-N 1 0 321.421 1.209 50 0 DDAARO CCOC(=O)c1noc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000020992349 256529164 /nfs/dbraw/zinc/52/91/64/256529164.db2.gz 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CC/C(=C/C(=O)NCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000069444552 406712636 /nfs/dbraw/zinc/71/26/36/406712636.db2.gz CODSUWGUEZDBNX-NXVVXOECSA-N 1 0 301.434 1.844 50 0 DDAARO O=C(NC1CC1)c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069490061 406723821 /nfs/dbraw/zinc/72/38/21/406723821.db2.gz FUMTYNUODBTSKL-HNNXBMFYSA-N 1 0 311.389 1.275 50 0 DDAARO C[C@@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069808433 406774605 /nfs/dbraw/zinc/77/46/05/406774605.db2.gz FUTRTMIFIQZHMR-GOEBONIOSA-N 1 0 317.433 1.227 50 0 DDAARO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)CC2 ZINC000069815128 406775733 /nfs/dbraw/zinc/77/57/33/406775733.db2.gz CQOVCMDAQMUBGH-WDEREUQCSA-N 1 0 318.381 1.069 50 0 DDAARO CCOc1nnc(CNCC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000069894843 406785757 /nfs/dbraw/zinc/78/57/57/406785757.db2.gz PBZPVPKQIGFMTI-LLVKDONJSA-N 1 0 314.455 1.119 50 0 DDAARO O[C@@H](C[NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000069894821 406786565 /nfs/dbraw/zinc/78/65/65/406786565.db2.gz 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C[C@]1([C@@H]2CCC[N@H+](CCc3cccs3)C2)NC(=O)NC1=O ZINC000072300723 406880894 /nfs/dbraw/zinc/88/08/94/406880894.db2.gz IXWZTEUDGAZPDQ-IAQYHMDHSA-N 1 0 307.419 1.601 50 0 DDAARO Cc1nn(C)c2ncnc(N3CCN(CC(C)C)C(=O)[C@H]3C)c12 ZINC000072411187 406882160 /nfs/dbraw/zinc/88/21/60/406882160.db2.gz RBWNAZOHBDVQQA-GFCCVEGCSA-N 1 0 316.409 1.365 50 0 DDAARO Cc1ccc(N2CCN([C@@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034668335 406964185 /nfs/dbraw/zinc/96/41/85/406964185.db2.gz CTFQQXGGRLJCNV-INIZCTEOSA-N 1 0 318.465 1.183 50 0 DDAARO C[NH+](C)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 ZINC000036359175 406979089 /nfs/dbraw/zinc/97/90/89/406979089.db2.gz AYDXIZLNWKHIJE-UHFFFAOYSA-N 1 0 301.346 1.162 50 0 DDAARO Cc1ccc(N2CCC([N@@H+]3CCN(C)[C@H](CCO)C3)CC2)cc1 ZINC000036379974 406979243 /nfs/dbraw/zinc/97/92/43/406979243.db2.gz GBIPULBTABSEIZ-LJQANCHMSA-N 1 0 317.477 1.962 50 0 DDAARO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000029695572 406925994 /nfs/dbraw/zinc/92/59/94/406925994.db2.gz 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ZINC000048275494 407094013 /nfs/dbraw/zinc/09/40/13/407094013.db2.gz AVFUIGYTKNYJMQ-KBPBESRZSA-N 1 0 307.394 1.847 50 0 DDAARO C[N@H+](CCc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786976 407104632 /nfs/dbraw/zinc/10/46/32/407104632.db2.gz JTAYHVBUHJQWPB-MRXNPFEDSA-N 1 0 310.463 1.833 50 0 DDAARO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1=O ZINC000046180642 407057378 /nfs/dbraw/zinc/05/73/78/407057378.db2.gz XKCBZCDXVZYEFW-MRXNPFEDSA-N 1 0 315.417 1.199 50 0 DDAARO Cc1nnc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000084291461 407086540 /nfs/dbraw/zinc/08/65/40/407086540.db2.gz BWXFBIKYYPPOMA-UHFFFAOYSA-N 1 0 315.421 1.912 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2c(C)nn(C)c2C)CC1 ZINC000089505633 407137668 /nfs/dbraw/zinc/13/76/68/407137668.db2.gz XKOCVSGUBCGHSM-UHFFFAOYSA-N 1 0 308.426 1.125 50 0 DDAARO Cc1cc(C)cc(OCC[N@@H+](C)C[C@@H](O)Cn2cccn2)c1 ZINC000051500570 407139620 /nfs/dbraw/zinc/13/96/20/407139620.db2.gz RMIHREKLQFYGNS-MRXNPFEDSA-N 1 0 303.406 1.872 50 0 DDAARO CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cn1 ZINC000089582251 407141299 /nfs/dbraw/zinc/14/12/99/407141299.db2.gz MWRLERVNYHMURV-LLVKDONJSA-N 1 0 302.444 1.442 50 0 DDAARO NC(=O)C1([NH2+]CC(=O)N2CCC[C@H]2c2cccs2)CCCC1 ZINC000089799967 407150320 /nfs/dbraw/zinc/15/03/20/407150320.db2.gz DPVCZIBGBLRHFX-LBPRGKRZSA-N 1 0 321.446 1.799 50 0 DDAARO CC1(C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]2CCO[C@@H]21 ZINC000089917443 407158098 /nfs/dbraw/zinc/15/80/98/407158098.db2.gz FNMGAZGSQSLAFC-KFWWJZLASA-N 1 0 307.438 1.726 50 0 DDAARO O=C(CCNC(=O)c1ccc(F)cc1)NCC[NH+]1CCCC1 ZINC000052984922 407161304 /nfs/dbraw/zinc/16/13/04/407161304.db2.gz ARHAPGFAQYCHKG-UHFFFAOYSA-N 1 0 307.369 1.158 50 0 DDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000089939121 407161341 /nfs/dbraw/zinc/16/13/41/407161341.db2.gz AOSONGWRSIMERN-CYBMUJFWSA-N 1 0 305.426 1.573 50 0 DDAARO O=C(CSCc1ccccc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000055255405 407199421 /nfs/dbraw/zinc/19/94/21/407199421.db2.gz 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C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096497183 407273329 /nfs/dbraw/zinc/27/33/29/407273329.db2.gz BGVBGLSEVHRDJI-STQMWFEESA-N 1 0 309.414 1.656 50 0 DDAARO CC1([C@@H]2CCC[N@H+](Cc3cc(C(N)=O)cs3)C2)OCCO1 ZINC000097108678 407280179 /nfs/dbraw/zinc/28/01/79/407280179.db2.gz KGSWKFJJYFXKMB-GFCCVEGCSA-N 1 0 310.419 1.822 50 0 DDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2cc(C)oc21 ZINC000067696198 407280489 /nfs/dbraw/zinc/28/04/89/407280489.db2.gz KDRHQXJYUFOPSK-OCCSQVGLSA-N 1 0 315.373 1.419 50 0 DDAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000097159471 407283772 /nfs/dbraw/zinc/28/37/72/407283772.db2.gz YRKYAGSMMPVREB-QGZVFWFLSA-N 1 0 300.406 1.881 50 0 DDAARO Cc1n[nH]cc1C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000097159269 407284331 /nfs/dbraw/zinc/28/43/31/407284331.db2.gz SIUUAOOBIPWUIP-UHFFFAOYSA-N 1 0 317.412 1.769 50 0 DDAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(C(F)(F)F)n[nH]1)CC2 ZINC000067833638 407286602 /nfs/dbraw/zinc/28/66/02/407286602.db2.gz 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407465045 /nfs/dbraw/zinc/46/50/45/407465045.db2.gz NKAXCMGPOIPZAS-LSDHHAIUSA-N 1 0 319.405 1.285 50 0 DDAARO C[C@H](CO)[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000265874231 407493721 /nfs/dbraw/zinc/49/37/21/407493721.db2.gz OVQYGPYBOHXKJZ-ILXRZTDVSA-N 1 0 319.449 1.749 50 0 DDAARO COCc1cc(CN2CC[C@@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235743 407495661 /nfs/dbraw/zinc/49/56/61/407495661.db2.gz YQBUNEOVLGOPMX-QGZVFWFLSA-N 1 0 308.422 1.340 50 0 DDAARO O=C(Cc1ccc(Cl)nc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000170591581 407446152 /nfs/dbraw/zinc/44/61/52/407446152.db2.gz HSFXRQPJPPBFGQ-UHFFFAOYSA-N 1 0 302.765 1.957 50 0 DDAARO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000253429256 407449153 /nfs/dbraw/zinc/44/91/53/407449153.db2.gz CHOGAJIGEVFZHR-WMLDXEAASA-N 1 0 306.454 1.925 50 0 DDAARO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000225397099 407581526 /nfs/dbraw/zinc/58/15/26/407581526.db2.gz WAFSDMXKRFPDPB-KGLIPLIRSA-N 1 0 300.362 1.699 50 0 DDAARO OCc1cccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2CCOC2)CC3)c1 ZINC000219150971 407528798 /nfs/dbraw/zinc/52/87/98/407528798.db2.gz JVVGBHWRPLUKNI-CQSZACIVSA-N 1 0 313.401 1.964 50 0 DDAARO Nc1nc(NCCOCc2ccccc2)cc(C2CC([NH3+])C2)n1 ZINC000220497734 407540348 /nfs/dbraw/zinc/54/03/48/407540348.db2.gz IDMLDZGTLMSVIC-UHFFFAOYSA-N 1 0 313.405 1.892 50 0 DDAARO Cc1nc(CCNC(=O)CN2CCC[N@@H+](C)CC2)sc1C ZINC000221414173 407548090 /nfs/dbraw/zinc/54/80/90/407548090.db2.gz MOXMJPWNLCJUDN-UHFFFAOYSA-N 1 0 310.467 1.056 50 0 DDAARO O[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1F ZINC000229477572 407666533 /nfs/dbraw/zinc/66/65/33/407666533.db2.gz AMJMQFPPDSMUAW-CJNGLKHVSA-N 1 0 304.369 1.863 50 0 DDAARO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@@H](O)c1cccc(F)c1 ZINC000229673486 407668863 /nfs/dbraw/zinc/66/88/63/407668863.db2.gz KKGMVBYUOSXJKE-UHIISALHSA-N 1 0 303.399 1.613 50 0 DDAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000229954310 407675438 /nfs/dbraw/zinc/67/54/38/407675438.db2.gz YJURVWNSSZEBTD-RWMBFGLXSA-N 1 0 311.344 1.817 50 0 DDAARO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000229970528 407675526 /nfs/dbraw/zinc/67/55/26/407675526.db2.gz HEVYDUGNIWQVDI-KGLIPLIRSA-N 1 0 309.454 1.611 50 0 DDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000230195701 407685861 /nfs/dbraw/zinc/68/58/61/407685861.db2.gz WEODCYLREYJOOQ-CABCVRRESA-N 1 0 317.433 1.886 50 0 DDAARO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)Cn1cccn1 ZINC000230212145 407686143 /nfs/dbraw/zinc/68/61/43/407686143.db2.gz QQBSKWINMSEOPP-BZUAXINKSA-N 1 0 319.453 1.645 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000229546714 407665033 /nfs/dbraw/zinc/66/50/33/407665033.db2.gz SXIAAWLRRVPGNY-LSDHHAIUSA-N 1 0 302.422 1.846 50 0 DDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000237960215 407857941 /nfs/dbraw/zinc/85/79/41/407857941.db2.gz XFUAZBLTHOPZLE-NEPJUHHUSA-N 1 0 321.808 1.643 50 0 DDAARO C[C@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000153601347 407861594 /nfs/dbraw/zinc/86/15/94/407861594.db2.gz OYOMEYSMBAUKKG-QWRGUYRKSA-N 1 0 324.808 1.863 50 0 DDAARO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000238045056 407875159 /nfs/dbraw/zinc/87/51/59/407875159.db2.gz XFUAZBLTHOPZLE-VXGBXAGGSA-N 1 0 321.808 1.643 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c(F)cc1F ZINC000237782717 407842901 /nfs/dbraw/zinc/84/29/01/407842901.db2.gz MPTNGFYWWOJLKI-SNVBAGLBSA-N 1 0 304.362 1.775 50 0 DDAARO OC[C@]1(O)CCC[N@H+](Cc2ccccc2-n2cccn2)CC1 ZINC000244873051 407942393 /nfs/dbraw/zinc/94/23/93/407942393.db2.gz WJGYYLKFIKCUER-KRWDZBQOSA-N 1 0 301.390 1.582 50 0 DDAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH]n1 ZINC000154225013 407999877 /nfs/dbraw/zinc/99/98/77/407999877.db2.gz FKUUBCHOHOWVDG-NXEZZACHSA-N 1 0 316.409 1.249 50 0 DDAARO CCO[C@H]1C[C@](O)(C[NH2+]C2CCC(NC(C)=O)CC2)C1(C)C ZINC000189427072 408015886 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O=C(c1cn[nH]n1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000299774928 410618269 /nfs/dbraw/zinc/61/82/69/410618269.db2.gz JGCNDXQGVDCZCL-CABCVRRESA-N 1 0 311.389 1.541 50 0 DDAARO COc1ccc2[nH]c(CNC(=O)[C@@H]([NH3+])CCSC)nc2c1 ZINC000299777490 410619918 /nfs/dbraw/zinc/61/99/18/410619918.db2.gz NLWUBQKHGMNXNJ-JTQLQIEISA-N 1 0 308.407 1.268 50 0 DDAARO CC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000299796888 410634089 /nfs/dbraw/zinc/63/40/89/410634089.db2.gz PZQSVZAIZVDGDO-MRXNPFEDSA-N 1 0 319.405 1.858 50 0 DDAARO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000044910422 418431731 /nfs/dbraw/zinc/43/17/31/418431731.db2.gz AACVBKLRHFGVAK-DZGCQCFKSA-N 1 0 304.394 1.481 50 0 DDAARO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000108141104 418499465 /nfs/dbraw/zinc/49/94/65/418499465.db2.gz OJIBDRNPHUYGMQ-IRXDYDNUSA-N 1 0 311.385 1.447 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)CC[NH2+]1 ZINC000188464247 222014470 /nfs/dbraw/zinc/01/44/70/222014470.db2.gz 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419444899 /nfs/dbraw/zinc/44/48/99/419444899.db2.gz RHAFRDMSJMFAFL-OAHLLOKOSA-N 1 0 305.422 1.931 50 0 DDAARO CC[NH+]1CCC(CCNc2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426690559 419530572 /nfs/dbraw/zinc/53/05/72/419530572.db2.gz IZTUJMBNCBLUGZ-CQSZACIVSA-N 1 0 319.453 1.519 50 0 DDAARO COc1ccnc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)c1 ZINC000426511620 419495539 /nfs/dbraw/zinc/49/55/39/419495539.db2.gz IEVYMVREEKQZCM-NSHDSACASA-N 1 0 319.434 1.978 50 0 DDAARO CCn1ncnc1[C@@H](C)NC(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426589690 419514829 /nfs/dbraw/zinc/51/48/29/419514829.db2.gz ATQXTWDMVLLMMM-GFCCVEGCSA-N 1 0 317.393 1.435 50 0 DDAARO Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000299747576 229389783 /nfs/dbraw/zinc/38/97/83/229389783.db2.gz DGEQJKRUFYXCEF-MSOLQXFVSA-N 1 0 310.397 1.859 50 0 DDAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000575547958 422302297 /nfs/dbraw/zinc/30/22/97/422302297.db2.gz BGAGMUOIESYMMO-OAHLLOKOSA-N 1 0 318.421 1.175 50 0 DDAARO CC[N@H+](C)CCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000065403881 276069013 /nfs/dbraw/zinc/06/90/13/276069013.db2.gz UBRFGVATAGFJSP-UHFFFAOYSA-N 1 0 323.462 1.668 50 0 DDAARO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3nccs3)C2)CC1 ZINC000095405452 277110593 /nfs/dbraw/zinc/11/05/93/277110593.db2.gz XZHSVPJXHSMGNK-CYBMUJFWSA-N 1 0 323.466 1.777 50 0 DDAARO Cn1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1=O ZINC000052835620 279361173 /nfs/dbraw/zinc/36/11/73/279361173.db2.gz FIDLYUYDOWQPMR-INIZCTEOSA-N 1 0 311.385 1.449 50 0 DDAARO C[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000156173512 279392171 /nfs/dbraw/zinc/39/21/71/279392171.db2.gz WTUFSCUYJYMMLR-CABZTGNLSA-N 1 0 313.195 1.696 50 0 DDAARO O=C([C@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000187683517 280144414 /nfs/dbraw/zinc/14/44/14/280144414.db2.gz RVRWEJNTBUYDRQ-KGLIPLIRSA-N 1 0 310.781 1.228 50 0 DDAARO CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCN1CC(F)F ZINC000195554942 280375860 /nfs/dbraw/zinc/37/58/60/280375860.db2.gz 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COC(C)(C)C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072125483 406873606 /nfs/dbraw/zinc/87/36/06/406873606.db2.gz LNPARZVQIMMLQV-CABCVRRESA-N 1 0 318.417 1.265 50 0 DDAARO O=C(Cc1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269278 406876272 /nfs/dbraw/zinc/87/62/72/406876272.db2.gz NSWLVPLACOTFJT-CVEARBPZSA-N 1 0 322.836 1.940 50 0 DDAARO C[C@](CO)([NH2+]CC(=O)NCc1ccccn1)C1CCCCC1 ZINC000072294137 406879660 /nfs/dbraw/zinc/87/96/60/406879660.db2.gz IZWSDGIMMIYQDJ-QGZVFWFLSA-N 1 0 305.422 1.619 50 0 DDAARO CN(C)c1ccccc1C(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000012436131 406844921 /nfs/dbraw/zinc/84/49/21/406844921.db2.gz CXWKKHJTRQLWBG-CQSZACIVSA-N 1 0 305.422 1.545 50 0 DDAARO Cn1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1=O ZINC000030317339 406931488 /nfs/dbraw/zinc/93/14/88/406931488.db2.gz HWKMCXPNHBZLBE-UHFFFAOYSA-N 1 0 311.385 1.173 50 0 DDAARO O=C(C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)N1CCOCC1 ZINC000075964554 406948437 /nfs/dbraw/zinc/94/84/37/406948437.db2.gz 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C[NH+](C)[C@@H]1CCN(CC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000244842327 407941552 /nfs/dbraw/zinc/94/15/52/407941552.db2.gz UONLJULHFXCZSH-MRXNPFEDSA-N 1 0 317.433 1.519 50 0 DDAARO CN1C[C@]2(CCC[N@H+](CCn3cnc4ccccc43)C2)OC1=O ZINC000244884207 407944208 /nfs/dbraw/zinc/94/42/08/407944208.db2.gz YHJCNXGLHYIPDZ-KRWDZBQOSA-N 1 0 314.389 1.953 50 0 DDAARO Cc1c(-c2cc(CN3CCCNC(=O)[C@@H]3C)on2)cnn1C ZINC000189334258 408008410 /nfs/dbraw/zinc/00/84/10/408008410.db2.gz WWOCXDPAGTVFOY-NSHDSACASA-N 1 0 303.366 1.094 50 0 DDAARO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000165277724 162158769 /nfs/dbraw/zinc/15/87/69/162158769.db2.gz XYYDIVPVAAPSEX-KGLIPLIRSA-N 1 0 316.405 1.319 50 0 DDAARO CC(C)(O)C[NH+]1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000171154850 162206081 /nfs/dbraw/zinc/20/60/81/162206081.db2.gz NEWDHSHCNCZJTL-UHFFFAOYSA-N 1 0 306.366 1.218 50 0 DDAARO CN(C)c1noc(CNC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000191899954 408506116 /nfs/dbraw/zinc/50/61/16/408506116.db2.gz 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CCOc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000239310309 222209779 /nfs/dbraw/zinc/20/97/79/222209779.db2.gz IIGAICCQFXQATA-ZDUSSCGKSA-N 1 0 310.419 1.554 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000245344104 222215408 /nfs/dbraw/zinc/21/54/08/222215408.db2.gz XNOWSQITMDVGQK-CNRIWFPOSA-N 1 0 310.438 1.368 50 0 DDAARO CC(C)=CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408518559 418807231 /nfs/dbraw/zinc/80/72/31/418807231.db2.gz NODXQAVSXWUMOE-GJZGRUSLSA-N 1 0 309.454 1.646 50 0 DDAARO CC(C)(C(=O)NCc1nc(C(F)(F)F)n[nH]1)[NH+]1CCCC1 ZINC000426496694 419490056 /nfs/dbraw/zinc/49/00/56/419490056.db2.gz NMDRQETZRDTNRU-UHFFFAOYSA-N 1 0 305.304 1.314 50 0 DDAARO CC(C)(C(=O)NCCc1noc(C2CCC2)n1)[NH+]1CCCC1 ZINC000426383346 419454312 /nfs/dbraw/zinc/45/43/12/419454312.db2.gz SNTIFWOKRCRUCQ-UHFFFAOYSA-N 1 0 306.410 1.870 50 0 DDAARO O=C(CCc1cnccn1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426667399 419528705 /nfs/dbraw/zinc/52/87/05/419528705.db2.gz HELIRYXAHQWKMN-UHFFFAOYSA-N 1 0 318.421 1.169 50 0 DDAARO CN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000426739027 419544006 /nfs/dbraw/zinc/54/40/06/419544006.db2.gz JJZPTFVWIGJZAA-QGZVFWFLSA-N 1 0 319.449 1.575 50 0 DDAARO O=C(NCc1cnc2cnccn12)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426563445 419506663 /nfs/dbraw/zinc/50/66/63/419506663.db2.gz NFJZIFXOLRERSN-HUUCEWRRSA-N 1 0 313.405 1.610 50 0 DDAARO CCc1nsc(N2CCCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)n1 ZINC000299739789 229373803 /nfs/dbraw/zinc/37/38/03/229373803.db2.gz RJBSKLKITICYSE-VXGBXAGGSA-N 1 0 323.466 1.267 50 0 DDAARO C/C=C\c1ccc(OCC(=O)N2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000429064876 419965769 /nfs/dbraw/zinc/96/57/69/419965769.db2.gz MRUGKNWBOKWARB-NQHOJNORSA-N 1 0 304.390 1.914 50 0 DDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1C[C@H]1COCCO1 ZINC000495971877 421108637 /nfs/dbraw/zinc/10/86/37/421108637.db2.gz UCRZBHZCYWETPX-OLZOCXBDSA-N 1 0 300.399 1.391 50 0 DDAARO CN1CC[N@H+](C[C@H](O)C[C@@](C)(O)C2CC2)Cc2ccccc21 ZINC000630035157 421848057 /nfs/dbraw/zinc/84/80/57/421848057.db2.gz BVQKPQXQWHVKAN-SJLPKXTDSA-N 1 0 304.434 1.850 50 0 DDAARO C[NH+](C)C1(CNS(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000583651465 422210478 /nfs/dbraw/zinc/21/04/78/422210478.db2.gz MUUSIHHCKUNASR-UHFFFAOYSA-N 1 0 311.432 1.669 50 0 DDAARO Cc1c(CNC(=O)C[N@H+](C)CCc2ccccc2)cnn1C ZINC000585131646 422309756 /nfs/dbraw/zinc/30/97/56/422309756.db2.gz BQOZTFRXOAMNJR-UHFFFAOYSA-N 1 0 300.406 1.519 50 0 DDAARO CN1C(=O)CS/C1=C\C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000606444840 422460016 /nfs/dbraw/zinc/46/00/16/422460016.db2.gz FPIBBFSYCDCVBU-YBEGLDIGSA-N 1 0 319.430 1.776 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCC(c2ccccc2)=N1 ZINC000069419311 274232120 /nfs/dbraw/zinc/23/21/20/274232120.db2.gz PQIRBFCNGXQFPC-AWEZNQCLSA-N 1 0 311.389 1.498 50 0 DDAARO CCOC(=O)[C@@H]1C[C@@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000054969059 276289390 /nfs/dbraw/zinc/28/93/90/276289390.db2.gz PQRURSASPIIZFM-ZLENFMNRSA-N 1 0 300.358 1.881 50 0 DDAARO COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791739 277345546 /nfs/dbraw/zinc/34/55/46/277345546.db2.gz HSEGLSPZJFZLBT-HNNXBMFYSA-N 1 0 304.390 1.696 50 0 DDAARO CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCSCC2)C1=O ZINC000012193357 278325201 /nfs/dbraw/zinc/32/52/01/278325201.db2.gz FTVWCOFYHKMPNF-HNNXBMFYSA-N 1 0 300.468 1.435 50 0 DDAARO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245842116 280009392 /nfs/dbraw/zinc/00/93/92/280009392.db2.gz DRBCTLSFPZBFSX-MGPQQGTHSA-N 1 0 318.483 1.451 50 0 DDAARO C[NH+](C)C(C)(C)CNC(=O)CN1c2ccccc2OCCC1=O ZINC000044870727 282014638 /nfs/dbraw/zinc/01/46/38/282014638.db2.gz ZSDXQXURYLYCCJ-UHFFFAOYSA-N 1 0 319.405 1.259 50 0 DDAARO O=C(NC1(c2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000426511575 295596047 /nfs/dbraw/zinc/59/60/47/295596047.db2.gz FLDXVCDPSKATBF-INIZCTEOSA-N 1 0 314.433 1.365 50 0 DDAARO C[C@H](C(=O)N(C)C1CCCCC1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000106787341 297976949 /nfs/dbraw/zinc/97/69/49/297976949.db2.gz 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/nfs/dbraw/zinc/83/47/76/484834776.db2.gz ZFPLNXWBUNSMBF-UHFFFAOYSA-N 1 0 314.455 1.400 50 0 DDAARO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cncn1C ZINC000390832624 490779113 /nfs/dbraw/zinc/77/91/13/490779113.db2.gz HZNSDOOFJUWXBH-FAAHXZRKSA-N 1 0 318.421 1.097 50 0 DDAARO [NH3+]C1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC000170049138 545647895 /nfs/dbraw/zinc/64/78/95/545647895.db2.gz NFTFIQRXOXNWDV-UHFFFAOYSA-N 1 0 311.323 1.303 50 0 DDAARO CCOC[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000011664031 696046798 /nfs/dbraw/zinc/04/67/98/696046798.db2.gz KWSOBJHIWJDTRU-CYBMUJFWSA-N 1 0 323.368 1.711 50 0 DDAARO c1ncc(C[N@H+]2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)[nH]1 ZINC000020166652 696070073 /nfs/dbraw/zinc/07/00/73/696070073.db2.gz ZNMNIGMPNPQBEP-CQSZACIVSA-N 1 0 323.404 1.975 50 0 DDAARO Nc1nc2c(c(NC[C@@H]3OCCc4ccccc43)n1)CC[NH2+]C2 ZINC000067921270 696365150 /nfs/dbraw/zinc/36/51/50/696365150.db2.gz RALFHUHQLURFOD-HNNXBMFYSA-N 1 0 311.389 1.430 50 0 DDAARO C/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000067909101 696365223 /nfs/dbraw/zinc/36/52/23/696365223.db2.gz LMKZNJQOKPBIQI-RUJPKEBESA-N 1 0 303.406 1.701 50 0 DDAARO C[N@H+](CC(=O)N1CC[C@@H](Cc2ccc(=O)[nH]c2)C1)C1CCCC1 ZINC000091988414 696592038 /nfs/dbraw/zinc/59/20/38/696592038.db2.gz BCBVFUHNRCUMFT-HNNXBMFYSA-N 1 0 317.433 1.640 50 0 DDAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000125758530 696755879 /nfs/dbraw/zinc/75/58/79/696755879.db2.gz WPVCNBXNQOTQII-NSHDSACASA-N 1 0 304.781 1.960 50 0 DDAARO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000857841595 704631671 /nfs/dbraw/zinc/63/16/71/704631671.db2.gz ODVQNQMEMYFSAB-UHFFFAOYSA-N 1 0 318.421 1.905 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]([NH3+])[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528490 716612859 /nfs/dbraw/zinc/61/28/59/716612859.db2.gz UVJYZYLXGGBOBV-BBRMVZONSA-N 1 0 324.425 1.409 50 0 DDAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2cccc(-c3c[nH]cn3)c2)C1 ZINC000952962089 721528225 /nfs/dbraw/zinc/52/82/25/721528225.db2.gz AHGLZASQBFKRJN-AWEZNQCLSA-N 1 0 314.389 1.984 50 0 DDAARO CSCC[NH+]1CCC(NC(=O)[C@H](C)Cn2cccn2)CC1 ZINC000952965580 721528759 /nfs/dbraw/zinc/52/87/59/721528759.db2.gz DVFVBOYHIPUZPS-CYBMUJFWSA-N 1 0 310.467 1.463 50 0 DDAARO CN1C[C@]2(CCCN(C(=O)C[NH+]3CCCCCC3)CC2)OC1=O ZINC000952992144 721533680 /nfs/dbraw/zinc/53/36/80/721533680.db2.gz XPAFXQWGEXJYKI-QGZVFWFLSA-N 1 0 323.437 1.696 50 0 DDAARO Cc1nnc2n1C[C@H]1CC[C@@H](C2)N1C(=O)C[NH+]1CCCCCC1 ZINC000675021283 737521600 /nfs/dbraw/zinc/52/16/00/737521600.db2.gz ZBRUDDYPOVAUBW-LSDHHAIUSA-N 1 0 317.437 1.378 50 0 DDAARO Cn1nccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000885938881 749775962 /nfs/dbraw/zinc/77/59/62/749775962.db2.gz FFBQREPSISEBGR-CYBMUJFWSA-N 1 0 302.378 1.655 50 0 DDAARO CCCOc1cccc(CNC(=O)NC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000822985484 758259702 /nfs/dbraw/zinc/25/97/02/758259702.db2.gz VONLSZNFWGCGJD-QGZVFWFLSA-N 1 0 321.421 1.389 50 0 DDAARO O=C(Cn1cccn1)NC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827861482 759389996 /nfs/dbraw/zinc/38/99/96/759389996.db2.gz LORDLOGXTRKHJM-CQSZACIVSA-N 1 0 302.378 1.505 50 0 DDAARO O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000827939740 759425393 /nfs/dbraw/zinc/42/53/93/759425393.db2.gz ZGIPCEGHDIIKKH-KRWDZBQOSA-N 1 0 323.481 1.576 50 0 DDAARO CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000581784180 761702510 /nfs/dbraw/zinc/70/25/10/761702510.db2.gz JDJQGEQYKDTTBW-MRXNPFEDSA-N 1 0 321.465 1.184 50 0 DDAARO CCn1ccc(C(=O)N2CC([N@H+](CC)C3CCN(C)CC3)C2)n1 ZINC000581799808 761707092 /nfs/dbraw/zinc/70/70/92/761707092.db2.gz YXCGQBOPSRYFAS-UHFFFAOYSA-N 1 0 319.453 1.144 50 0 DDAARO CC(C)([NH3+])c1cn(CC2CCN(C(=O)C3(C)CC3)CC2)nn1 ZINC000200483928 764464267 /nfs/dbraw/zinc/46/42/67/764464267.db2.gz WWGLPQLSJMEHGJ-UHFFFAOYSA-N 1 0 305.426 1.511 50 0 DDAARO C[C@H](O)c1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000585133177 771965319 /nfs/dbraw/zinc/96/53/19/771965319.db2.gz ZABOMGVUSNJMHD-LSDHHAIUSA-N 1 0 305.422 1.684 50 0 DDAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C)[C@H](CCO)C1 ZINC000043144546 772817771 /nfs/dbraw/zinc/81/77/71/772817771.db2.gz OZCMMYDPWNVBAS-MRXNPFEDSA-N 1 0 314.433 1.884 50 0 DDAARO CC(C)c1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)nc(N)n1 ZINC000952869032 775599943 /nfs/dbraw/zinc/59/99/43/775599943.db2.gz GVVRIYVMGXVBIL-GFCCVEGCSA-N 1 0 317.437 1.881 50 0 DDAARO O=C(NC[C@H](CO)Cc1ccco1)C1([NH+]2CCCC2)CCCC1 ZINC000952873498 775621436 /nfs/dbraw/zinc/62/14/36/775621436.db2.gz ZROBOSHMVMGLLA-OAHLLOKOSA-N 1 0 320.433 1.955 50 0 DDAARO C[C@H](O)c1nc2cc(NC(=O)CC3CC[NH2+]CC3)ccc2[nH]1 ZINC000952865691 775652240 /nfs/dbraw/zinc/65/22/40/775652240.db2.gz WAWHVRJRUSJBOI-JTQLQIEISA-N 1 0 302.378 1.944 50 0 DDAARO CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC000078822498 185115143 /nfs/dbraw/zinc/11/51/43/185115143.db2.gz OYIXXHCZBVSCPD-LSDHHAIUSA-N 1 0 311.470 1.872 50 0 DDAARO c1cnnc(NC[C@@H]2CN(CC[NH+]3CCCCC3)CCO2)c1 ZINC000078893747 185124009 /nfs/dbraw/zinc/12/40/09/185124009.db2.gz NWHVTTIBRPZNNK-OAHLLOKOSA-N 1 0 305.426 1.075 50 0 DDAARO CN(C)C(=O)N1CCn2nc(C[NH2+]C3CCCCC3)cc2C1 ZINC000082166699 185174373 /nfs/dbraw/zinc/17/43/73/185174373.db2.gz SBQHUSHPPQOXAS-UHFFFAOYSA-N 1 0 305.426 1.803 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1sccc1Br ZINC000082614145 185191306 /nfs/dbraw/zinc/19/13/06/185191306.db2.gz DMHBQCNFXPDMBW-YUMQZZPRSA-N 1 0 305.197 1.227 50 0 DDAARO CC(C)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)n(C)n1 ZINC000082107099 192356361 /nfs/dbraw/zinc/35/63/61/192356361.db2.gz KLMXTTUWODJUPD-CQSZACIVSA-N 1 0 322.453 1.368 50 0 DDAARO COc1ccc(OC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000082148292 192361626 /nfs/dbraw/zinc/36/16/26/192361626.db2.gz KLPFMZGXINLMRX-INIZCTEOSA-N 1 0 304.390 1.817 50 0 DDAARO CN1CCCc2ccc(S(=O)(=O)N[C@@H](C[NH3+])C3CC3)cc21 ZINC000095432131 185363604 /nfs/dbraw/zinc/36/36/04/185363604.db2.gz UCHWXDLNBHERMO-AWEZNQCLSA-N 1 0 309.435 1.085 50 0 DDAARO CC(C)Cn1nc(C(=O)N2CC[C@@H]([NH3+])C2)c2ccccc2c1=O ZINC000097019620 185397966 /nfs/dbraw/zinc/39/79/66/185397966.db2.gz LCWNGWMRNZAWRN-GFCCVEGCSA-N 1 0 314.389 1.226 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)C1 ZINC000299738699 529992869 /nfs/dbraw/zinc/99/28/69/529992869.db2.gz FKQBJSLRXWANGG-HUBLWGQQSA-N 1 0 321.446 1.335 50 0 DDAARO CCc1nocc1Cn1nc(C[C@H]2CCCC[C@H]2[NH3+])n(C)c1=O ZINC000685942640 539566355 /nfs/dbraw/zinc/56/63/55/539566355.db2.gz KBQPGCVPIRSOAM-DGCLKSJQSA-N 1 0 319.409 1.241 50 0 DDAARO COc1cc(C)c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455421 192371071 /nfs/dbraw/zinc/37/10/71/192371071.db2.gz SYBVRPFPGGRYMH-HZPDHXFCSA-N 1 0 320.433 1.965 50 0 DDAARO CC[C@H]1CN(C(=O)CCC[NH3+])CCC(=O)N1Cc1ccccc1 ZINC000071748455 191020784 /nfs/dbraw/zinc/02/07/84/191020784.db2.gz GEKNQBYGMKAVGK-INIZCTEOSA-N 1 0 317.433 1.765 50 0 DDAARO COc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c(C)c1C ZINC000071752596 191023165 /nfs/dbraw/zinc/02/31/65/191023165.db2.gz CJBZYHNTEYUJMO-CHWSQXEVSA-N 1 0 312.435 1.779 50 0 DDAARO C[NH+](C)CC[C@H]1CN(C(=O)c2cccc3c2OCC3)CCO1 ZINC000071753671 191023595 /nfs/dbraw/zinc/02/35/95/191023595.db2.gz NPLJLNZHJJKTLE-AWEZNQCLSA-N 1 0 304.390 1.414 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000072148793 191054665 /nfs/dbraw/zinc/05/46/65/191054665.db2.gz NAASRAJAOQRTRO-SFHVURJKSA-N 1 0 318.417 1.540 50 0 DDAARO Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)on2)cc1 ZINC000072157156 191060355 /nfs/dbraw/zinc/06/03/55/191060355.db2.gz FYJZTRJVTVYKND-RHSMWYFYSA-N 1 0 302.374 1.825 50 0 DDAARO OC[C@@]1(O)CCC[N@H+](Cc2ccccc2OC(F)F)CC1 ZINC000072163548 191064351 /nfs/dbraw/zinc/06/43/51/191064351.db2.gz OKTLZNCSPLQSDU-OAHLLOKOSA-N 1 0 301.333 1.997 50 0 DDAARO O=C(CCc1ccc(F)c(F)c1)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072171439 191069952 /nfs/dbraw/zinc/06/99/52/191069952.db2.gz BIPNVGDNVATHMF-MRXNPFEDSA-N 1 0 312.360 1.518 50 0 DDAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000072273378 191095697 /nfs/dbraw/zinc/09/56/97/191095697.db2.gz 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353195825 /nfs/dbraw/zinc/19/58/25/353195825.db2.gz RUQBTRQUVJVNLH-GDBMZVCRSA-N 1 0 304.438 1.825 50 0 DDAARO Cc1cccc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000072269502 353195862 /nfs/dbraw/zinc/19/58/62/353195862.db2.gz QHRQJLNSZGMUGU-QZTJIDSGSA-N 1 0 316.445 1.985 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001781568 180896149 /nfs/dbraw/zinc/89/61/49/180896149.db2.gz NAJCSDICDJMSAP-UHFFFAOYSA-N 1 0 310.394 1.784 50 0 DDAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC000106844510 353942712 /nfs/dbraw/zinc/94/27/12/353942712.db2.gz XKVRYLUWNIPRKB-HZPDHXFCSA-N 1 0 303.410 1.222 50 0 DDAARO C[C@H]([NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000110700949 353962806 /nfs/dbraw/zinc/96/28/06/353962806.db2.gz XKPIWQSESBZMKA-BHYGNILZSA-N 1 0 305.422 1.470 50 0 DDAARO Cc1noc(CCc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)n1 ZINC000004119412 181076023 /nfs/dbraw/zinc/07/60/23/181076023.db2.gz MONWZNFEDVWONC-OAHLLOKOSA-N 1 0 319.405 1.901 50 0 DDAARO 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CCN(Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCO1 ZINC000023146115 182351103 /nfs/dbraw/zinc/35/11/03/182351103.db2.gz MGOXPUVMHUBTMN-MRXNPFEDSA-N 1 0 307.442 1.279 50 0 DDAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000030656243 182595257 /nfs/dbraw/zinc/59/52/57/182595257.db2.gz ZPTHGWRWZDHWJD-UHFFFAOYSA-N 1 0 304.362 1.478 50 0 DDAARO Cc1c(Cl)ccc(OCCN2CC[NH+](CCO)CC2)c1C ZINC000040456310 183069004 /nfs/dbraw/zinc/06/90/04/183069004.db2.gz DZSGABBWHUDPBQ-UHFFFAOYSA-N 1 0 312.841 1.946 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccccc2)nc1C ZINC000040457624 183069379 /nfs/dbraw/zinc/06/93/79/183069379.db2.gz OYUGYMVOZZJPEN-OAHLLOKOSA-N 1 0 313.405 1.790 50 0 DDAARO CCOc1ccc(C(=O)NCCCN2CC[NH+](CC)CC2)cn1 ZINC000058162766 184082931 /nfs/dbraw/zinc/08/29/31/184082931.db2.gz LIVJTUJECPZTHC-UHFFFAOYSA-N 1 0 320.437 1.238 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)CN2 ZINC000058299875 184102847 /nfs/dbraw/zinc/10/28/47/184102847.db2.gz LYJFXLXAGVIKOJ-HUUCEWRRSA-N 1 0 316.405 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/nfs/dbraw/zinc/37/41/46/304374146.db2.gz CEHUERKVLBBAFI-HOCLYGCPSA-N 1 0 302.374 1.413 50 0 DDAARO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C[NH3+])cc1)CC2 ZINC000262344445 286295303 /nfs/dbraw/zinc/29/53/03/286295303.db2.gz XPFUQZKFIMGHIP-HZPDHXFCSA-N 1 0 318.417 1.537 50 0 DDAARO CCO[C@H]1C[C@@](O)(C[NH2+]C2CCC(NC(C)=O)CC2)C1(C)C ZINC000189427109 286507572 /nfs/dbraw/zinc/50/75/72/286507572.db2.gz UQSKFKYRAQUISP-UMPYDWHISA-N 1 0 312.454 1.589 50 0 DDAARO CCCOc1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1 ZINC000002234989 406684893 /nfs/dbraw/zinc/68/48/93/406684893.db2.gz YWCQJEKLWHBMOI-ZDUSSCGKSA-N 1 0 308.403 1.799 50 0 DDAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc2c(c1)OCO2 ZINC000000292861 406638982 /nfs/dbraw/zinc/63/89/82/406638982.db2.gz GFBCOQPLYTWSFP-HNNXBMFYSA-N 1 0 308.403 1.941 50 0 DDAARO CCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000359982 406643223 /nfs/dbraw/zinc/64/32/23/406643223.db2.gz VROWYRYYUVDMRE-UHFFFAOYSA-N 1 0 306.435 1.661 50 0 DDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000069537699 406732339 /nfs/dbraw/zinc/73/23/39/406732339.db2.gz YAWYNFDZPPJJJD-HNNXBMFYSA-N 1 0 314.393 1.219 50 0 DDAARO CCc1nc(CN2CCC[C@H]([NH2+]C[C@@H]3CCCCO3)C2)no1 ZINC000069570367 406736614 /nfs/dbraw/zinc/73/66/14/406736614.db2.gz LLAZDXJNPFMKBG-KBPBESRZSA-N 1 0 308.426 1.755 50 0 DDAARO Cc1nnc2n1CCN(C(=O)[C@H]1CCCC[N@H+]1CC(C)C)C2 ZINC000069778961 406771511 /nfs/dbraw/zinc/77/15/11/406771511.db2.gz KYBDTMDYMRFPFQ-CQSZACIVSA-N 1 0 305.426 1.439 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000069589708 406739874 /nfs/dbraw/zinc/73/98/74/406739874.db2.gz ZONXPYITJFNKCO-JKSUJKDBSA-N 1 0 307.438 1.521 50 0 DDAARO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(N)=O)CC1 ZINC000007388522 406755923 /nfs/dbraw/zinc/75/59/23/406755923.db2.gz IYPLKVOMCFYNFZ-GFCCVEGCSA-N 1 0 301.390 1.162 50 0 DDAARO C[C@H](Cn1cccn1)C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069771560 406769209 /nfs/dbraw/zinc/76/92/09/406769209.db2.gz QKYCLBRWVHOZOT-CABCVRRESA-N 1 0 322.453 1.070 50 0 DDAARO O=S(=O)(c1ccccc1)c1ccc(N2CC[NH2+]CC2)cn1 ZINC000003817519 406719855 /nfs/dbraw/zinc/71/98/55/406719855.db2.gz PUGAWMFNPZKUBN-UHFFFAOYSA-N 1 0 303.387 1.324 50 0 DDAARO COc1ccc2c(c1)OCC(C[NH2+][C@H]1CCc3ncnn3C1)=C2 ZINC000069491520 406723388 /nfs/dbraw/zinc/72/33/88/406723388.db2.gz QJFHCTDJMGMMJE-AWEZNQCLSA-N 1 0 312.373 1.667 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)c2ccccc2OC)c(C)nn1C ZINC000069517809 406725537 /nfs/dbraw/zinc/72/55/37/406725537.db2.gz PQXBEANETMHXIP-AWEZNQCLSA-N 1 0 305.378 1.569 50 0 DDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000069511082 406725674 /nfs/dbraw/zinc/72/56/74/406725674.db2.gz DNHMGGDEMKICEY-KGLIPLIRSA-N 1 0 316.405 1.795 50 0 DDAARO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1CC ZINC000069847516 406782616 /nfs/dbraw/zinc/78/26/16/406782616.db2.gz GTIRLRDTGVFANA-AWEZNQCLSA-N 1 0 324.425 1.354 50 0 DDAARO Cc1cc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)on1 ZINC000069842498 406777747 /nfs/dbraw/zinc/77/77/47/406777747.db2.gz LHPCJKWVYFUOHY-CYBMUJFWSA-N 1 0 317.393 1.998 50 0 DDAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000008326368 406785665 /nfs/dbraw/zinc/78/56/65/406785665.db2.gz JXNMKMQNWHNMOY-AWEZNQCLSA-N 1 0 308.422 1.841 50 0 DDAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCOCC(F)(F)F)CC2 ZINC000069982880 406801075 /nfs/dbraw/zinc/80/10/75/406801075.db2.gz PROVBJVOCQNOIQ-JTQLQIEISA-N 1 0 306.332 1.885 50 0 DDAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000070008360 406802517 /nfs/dbraw/zinc/80/25/17/406802517.db2.gz CWHJUQCOVMPBEJ-CVEARBPZSA-N 1 0 304.438 1.962 50 0 DDAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000071385004 406839468 /nfs/dbraw/zinc/83/94/68/406839468.db2.gz MTZNESIXHJEKRW-ZDUSSCGKSA-N 1 0 322.405 1.670 50 0 DDAARO CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCC[NH+](C)C ZINC000011694332 406829633 /nfs/dbraw/zinc/82/96/33/406829633.db2.gz GIVVPSLPCHDLQS-UHFFFAOYSA-N 1 0 320.368 1.702 50 0 DDAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000071819517 406846566 /nfs/dbraw/zinc/84/65/66/406846566.db2.gz ZOWHESMMVBAPCV-QGZVFWFLSA-N 1 0 300.406 1.709 50 0 DDAARO C[C@@H](CNC(=O)c1ccc2ccccc2n1)N1CC[NH+](C)CC1 ZINC000071867465 406856583 /nfs/dbraw/zinc/85/65/83/406856583.db2.gz CINKNHRLJHHDQB-AWEZNQCLSA-N 1 0 312.417 1.601 50 0 DDAARO CCc1nc(NC(=O)C[NH2+]CCn2cc(C)cn2)sc1C ZINC000072253126 406874901 /nfs/dbraw/zinc/87/49/01/406874901.db2.gz TYNUYLQVWAYCLA-UHFFFAOYSA-N 1 0 307.423 1.747 50 0 DDAARO O=C(CCc1cccs1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269116 406875814 /nfs/dbraw/zinc/87/58/14/406875814.db2.gz GMXFKUYGWVXPNH-CABCVRRESA-N 1 0 308.447 1.738 50 0 DDAARO O=C(Cc1cccc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269279 406876262 /nfs/dbraw/zinc/87/62/62/406876262.db2.gz NSWLVPLACOTFJT-HOTGVXAUSA-N 1 0 322.836 1.940 50 0 DDAARO CCc1nc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000072269333 406876283 /nfs/dbraw/zinc/87/62/83/406876283.db2.gz BOJVWRMFSQZYIC-UONOGXRCSA-N 1 0 323.462 1.306 50 0 DDAARO Cc1nc(C)n(C[C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000072253974 406876491 /nfs/dbraw/zinc/87/64/91/406876491.db2.gz WHSKRNIYPOXHBF-HNNXBMFYSA-N 1 0 308.426 1.291 50 0 DDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000072300597 406880583 /nfs/dbraw/zinc/88/05/83/406880583.db2.gz DWDCSSLYJUNAMS-HZMBPMFUSA-N 1 0 318.389 1.724 50 0 DDAARO O=c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)[nH]1 ZINC000020031265 406886794 /nfs/dbraw/zinc/88/67/94/406886794.db2.gz QJMSAHWBSUZBOL-UHFFFAOYSA-N 1 0 320.780 1.451 50 0 DDAARO COc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1F ZINC000036300058 406978477 /nfs/dbraw/zinc/97/84/77/406978477.db2.gz RNDSISQKRXUYEK-UHFFFAOYSA-N 1 0 302.371 1.207 50 0 DDAARO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1OC ZINC000027932017 406914293 /nfs/dbraw/zinc/91/42/93/406914293.db2.gz WUPYUBFLKHIPLE-CYBMUJFWSA-N 1 0 320.389 1.633 50 0 DDAARO Cc1c(C)n(C[C@H](O)C[NH+](CCO)CCO)c2ccc(C)cc12 ZINC000028297087 406917069 /nfs/dbraw/zinc/91/70/69/406917069.db2.gz FINIYVIRIUXIBZ-MRXNPFEDSA-N 1 0 320.433 1.214 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000030921441 406935189 /nfs/dbraw/zinc/93/51/89/406935189.db2.gz HRPDBLQOQLMMBF-CHWSQXEVSA-N 1 0 312.435 1.691 50 0 DDAARO CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000075646431 406938478 /nfs/dbraw/zinc/93/84/78/406938478.db2.gz XIIGEGNQMSLJSO-KRWDZBQOSA-N 1 0 317.433 1.576 50 0 DDAARO CC[C@@H](CNC(=O)c1csc(NC(C)=O)n1)[NH+]1CCCC1 ZINC000032661586 406951747 /nfs/dbraw/zinc/95/17/47/406951747.db2.gz DVCINQUMHQOAES-NSHDSACASA-N 1 0 310.423 1.706 50 0 DDAARO Nc1cc(N)[nH+]c(SCCC(=O)Nc2ccccc2F)n1 ZINC000032871079 406955621 /nfs/dbraw/zinc/95/56/21/406955621.db2.gz QKBZOSXKAXWLNF-UHFFFAOYSA-N 1 0 307.354 1.901 50 0 DDAARO CC[NH+]1CCN(C(=O)/C=C\c2ccc(OC)c(OC)c2)CC1 ZINC000033635330 406962667 /nfs/dbraw/zinc/96/26/67/406962667.db2.gz VVCQPALVUPFVFU-VURMDHGXSA-N 1 0 304.390 1.881 50 0 DDAARO O=C([C@@H]1COCCO1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000078615876 407036546 /nfs/dbraw/zinc/03/65/46/407036546.db2.gz CEHUERKVLBBAFI-ZBFHGGJFSA-N 1 0 302.374 1.413 50 0 DDAARO Cn1ccc2c1nccc2-c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000077428143 406990448 /nfs/dbraw/zinc/99/04/48/406990448.db2.gz KJFVQZLSCMGRIQ-UHFFFAOYSA-N 1 0 323.404 1.364 50 0 DDAARO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037798606 406994336 /nfs/dbraw/zinc/99/43/36/406994336.db2.gz MTWWKOXMEVFHAP-NEPJUHHUSA-N 1 0 313.195 1.130 50 0 DDAARO C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(CO)CC1 ZINC000046091298 407054223 /nfs/dbraw/zinc/05/42/23/407054223.db2.gz PPCHFVJTBHGVSC-CYBMUJFWSA-N 1 0 308.397 1.577 50 0 DDAARO CC[C@H](CNC(=O)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000046072567 407054254 /nfs/dbraw/zinc/05/42/54/407054254.db2.gz YOWCYSIEACUOCY-QGZVFWFLSA-N 1 0 317.433 1.865 50 0 DDAARO CC(=O)Nc1nc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000046861097 407065642 /nfs/dbraw/zinc/06/56/42/407065642.db2.gz PCTWOPWNIWRQCH-JTQLQIEISA-N 1 0 310.423 1.706 50 0 DDAARO CC[C@@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047599476 407077315 /nfs/dbraw/zinc/07/73/15/407077315.db2.gz RVWZZMSFWYPNJE-UONOGXRCSA-N 1 0 309.410 1.877 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000050246738 407129911 /nfs/dbraw/zinc/12/99/11/407129911.db2.gz UNPXQOBKHARVBH-SECBINFHSA-N 1 0 308.325 1.675 50 0 DDAARO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2cccnc2)C1 ZINC000089314010 407130471 /nfs/dbraw/zinc/13/04/71/407130471.db2.gz QXZWOXDBDRDGKF-KGLIPLIRSA-N 1 0 306.410 1.632 50 0 DDAARO O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000089774713 407147983 /nfs/dbraw/zinc/14/79/83/407147983.db2.gz VATNSDIKJMWYOG-OAGGEKHMSA-N 1 0 322.380 1.229 50 0 DDAARO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000089827694 407151693 /nfs/dbraw/zinc/15/16/93/407151693.db2.gz MQCHJDGQXMHMEV-INIZCTEOSA-N 1 0 314.429 1.899 50 0 DDAARO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000089840207 407153346 /nfs/dbraw/zinc/15/33/46/407153346.db2.gz GNRHGQFNFVUDTO-ZIAGYGMSSA-N 1 0 323.403 1.569 50 0 DDAARO CCC[N@H+](CCO)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000052691108 407155359 /nfs/dbraw/zinc/15/53/59/407155359.db2.gz ORIWCGKFWNQBDT-MRXNPFEDSA-N 1 0 319.449 1.333 50 0 DDAARO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000089887789 407156766 /nfs/dbraw/zinc/15/67/66/407156766.db2.gz XDIWEKHJQJQUIM-KRWDZBQOSA-N 1 0 308.422 1.296 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000053254468 407166524 /nfs/dbraw/zinc/16/65/24/407166524.db2.gz JZPTZEZFPGUMBB-VIFPVBQESA-N 1 0 308.325 1.736 50 0 DDAARO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)o1 ZINC000053718179 407172283 /nfs/dbraw/zinc/17/22/83/407172283.db2.gz IOMYUOFYLQPIEH-HOCLYGCPSA-N 1 0 319.449 1.699 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(c2ccccn2)C1)C1CC1 ZINC000055720117 407206069 /nfs/dbraw/zinc/20/60/69/407206069.db2.gz CZCOXXXJJMZJIT-JKSUJKDBSA-N 1 0 316.449 1.754 50 0 DDAARO Cc1[nH+]c(N)nc(N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1CCC(=O)[O-] ZINC000095364701 407209602 /nfs/dbraw/zinc/20/96/02/407209602.db2.gz MHKQICPUAPVOME-NWDGAFQWSA-N 1 0 319.409 1.057 50 0 DDAARO CCc1nc2c(C)nn(CC)c2c(N2CC[NH+](CC)CC2)n1 ZINC000057355588 407215175 /nfs/dbraw/zinc/21/51/75/407215175.db2.gz NUNFPGJLSBKCTD-UHFFFAOYSA-N 1 0 302.426 1.859 50 0 DDAARO Cn1c2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2n(C)c1=O ZINC000095971669 407218866 /nfs/dbraw/zinc/21/88/66/407218866.db2.gz QTVBIQHZMZLRKW-UHFFFAOYSA-N 1 0 300.318 1.181 50 0 DDAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(O)cc2F)CC1 ZINC000095993674 407221655 /nfs/dbraw/zinc/22/16/55/407221655.db2.gz TUVYNIVODDAJDF-GFCCVEGCSA-N 1 0 309.385 1.287 50 0 DDAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)nn(C)c2OC)C1 ZINC000096005901 407222572 /nfs/dbraw/zinc/22/25/72/407222572.db2.gz QSOICCUODOQUHI-ZDUSSCGKSA-N 1 0 323.441 1.933 50 0 DDAARO C1C[C@H](c2noc(C3CC[NH+](C4CCOCC4)CC3)n2)CO1 ZINC000096140840 407240909 /nfs/dbraw/zinc/24/09/09/407240909.db2.gz RJNUZZJABMDIGX-ZDUSSCGKSA-N 1 0 307.394 1.932 50 0 DDAARO CCc1cc(NC[C@]2(C)CC(C)=NO2)nc(N2CCOCC2)[nH+]1 ZINC000065507292 407244590 /nfs/dbraw/zinc/24/45/90/407244590.db2.gz MTEDWBOZKLDTKD-INIZCTEOSA-N 1 0 319.409 1.842 50 0 DDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cnc(C)c(C)c2)C1 ZINC000102540790 407324274 /nfs/dbraw/zinc/32/42/74/407324274.db2.gz LDPURYQTGALHFK-HNNXBMFYSA-N 1 0 305.422 1.787 50 0 DDAARO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000096440528 407266962 /nfs/dbraw/zinc/26/69/62/407266962.db2.gz QKGUXVXPGSSJEK-CYBMUJFWSA-N 1 0 323.441 1.281 50 0 DDAARO C[N@H+](CCNC(=O)N[C@H]1CCCC[C@@H]1O)Cc1ccc(F)cc1 ZINC000096452412 407268298 /nfs/dbraw/zinc/26/82/98/407268298.db2.gz AXZSJIIRFKVHDG-HOTGVXAUSA-N 1 0 323.412 1.860 50 0 DDAARO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)NC(N)=O ZINC000067230885 407269551 /nfs/dbraw/zinc/26/95/51/407269551.db2.gz ZMQXCVLASYCDST-ZDUSSCGKSA-N 1 0 305.378 1.424 50 0 DDAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)CSC)cc1 ZINC000096477996 407270811 /nfs/dbraw/zinc/27/08/11/407270811.db2.gz FPXUFLAXFUUXAZ-GHMZBOCLSA-N 1 0 302.465 1.997 50 0 DDAARO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000096492472 407272716 /nfs/dbraw/zinc/27/27/16/407272716.db2.gz CEFFYMZYPCOTBK-GFCCVEGCSA-N 1 0 301.394 1.833 50 0 DDAARO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(N)=O)cs1)C2 ZINC000097084971 407279698 /nfs/dbraw/zinc/27/96/98/407279698.db2.gz XKMQWZDSQHPKGJ-NHYWBVRUSA-N 1 0 308.403 1.622 50 0 DDAARO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000067695554 407280780 /nfs/dbraw/zinc/28/07/80/407280780.db2.gz YJPBXLKJDJLXHL-AWEZNQCLSA-N 1 0 313.405 1.692 50 0 DDAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1c[nH]nc1-c1cccc(F)c1 ZINC000067726486 407282532 /nfs/dbraw/zinc/28/25/32/407282532.db2.gz BFZBXPOJENVDNK-NSHDSACASA-N 1 0 302.353 1.926 50 0 DDAARO CC(C)C[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1ncnn1C ZINC000067785748 407284318 /nfs/dbraw/zinc/28/43/18/407284318.db2.gz UYYYXQFVXDWANH-GFCCVEGCSA-N 1 0 301.398 1.450 50 0 DDAARO Cn1cc(C2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)cn1 ZINC000097202849 407287840 /nfs/dbraw/zinc/28/78/40/407287840.db2.gz ZJIUKMMBDZPHDZ-UHFFFAOYSA-N 1 0 323.400 1.808 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc(C(C)C)cs1 ZINC000067878141 407288315 /nfs/dbraw/zinc/28/83/15/407288315.db2.gz LMWCQKRCGLISJR-YPMHNXCESA-N 1 0 310.467 1.693 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C/C=C/c1ccccc1 ZINC000067947077 407291064 /nfs/dbraw/zinc/29/10/64/407291064.db2.gz ILQOYGWBTHHKCW-MXDRFRHJSA-N 1 0 301.434 1.970 50 0 DDAARO C[NH+]1CCC2(CCN(C(=O)c3cncs3)C[C@H]2CO)CC1 ZINC000097551249 407299387 /nfs/dbraw/zinc/29/93/87/407299387.db2.gz RNNPSASLIAOVLL-LBPRGKRZSA-N 1 0 309.435 1.310 50 0 DDAARO Cc1cc(C)n2nc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3[NH3+])cc2n1 ZINC000097773192 407302344 /nfs/dbraw/zinc/30/23/44/407302344.db2.gz OXUIISRBMWAXQC-YOEHRIQHSA-N 1 0 321.384 1.701 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000101302792 407309220 /nfs/dbraw/zinc/30/92/20/407309220.db2.gz XVBCNGROWIXNJF-HIFRSBDPSA-N 1 0 303.406 1.464 50 0 DDAARO Cc1c(CCNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cnn1C ZINC000170677770 407472009 /nfs/dbraw/zinc/47/20/09/407472009.db2.gz VWNOGCDYXZBCLA-MLGOLLRUSA-N 1 0 300.406 1.723 50 0 DDAARO O=C(NCc1ccccc1)[C@H]1CCC[NH2+]CCC(=O)NCC1 ZINC000257195125 407491788 /nfs/dbraw/zinc/49/17/88/407491788.db2.gz VLBAKXNHKCJSEU-HNNXBMFYSA-N 1 0 303.406 1.199 50 0 DDAARO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000215949801 407492090 /nfs/dbraw/zinc/49/20/90/407492090.db2.gz CZGFOCWTQCUQHJ-KRWDZBQOSA-N 1 0 306.454 1.805 50 0 DDAARO CC[C@H]([NH3+])C(=O)N1CCN(CCc2ccc(OC)cc2)CC1 ZINC000225490149 407591417 /nfs/dbraw/zinc/59/14/17/407591417.db2.gz PRSVTYXNOIPSIJ-INIZCTEOSA-N 1 0 305.422 1.119 50 0 DDAARO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCc3n[nH]nc3C2)c1 ZINC000225477833 407589741 /nfs/dbraw/zinc/58/97/41/407589741.db2.gz XCJRHKYBGIZENH-ZDUSSCGKSA-N 1 0 313.405 1.918 50 0 DDAARO Cc1nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)nc2c1CCCC2 ZINC000219894607 407534165 /nfs/dbraw/zinc/53/41/65/407534165.db2.gz VPSGGEGYTLSGHU-SLBVQIDZSA-N 1 0 302.422 1.793 50 0 DDAARO O=C(NCCn1cncn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000220504194 407541093 /nfs/dbraw/zinc/54/10/93/407541093.db2.gz TZRPWTOMKVNTGU-UHFFFAOYSA-N 1 0 305.426 1.583 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccn2C)[C@@H](C)C1 ZINC000229309900 407658559 /nfs/dbraw/zinc/65/85/59/407658559.db2.gz SCKBPGFSUIXZSV-DZGCQCFKSA-N 1 0 313.467 1.563 50 0 DDAARO CC(C)n1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000229301017 407658957 /nfs/dbraw/zinc/65/89/57/407658957.db2.gz FTPKEGLEKCKFCM-STQMWFEESA-N 1 0 312.439 1.321 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000179014770 407691166 /nfs/dbraw/zinc/69/11/66/407691166.db2.gz XEBWURLAUSXSNI-AWEZNQCLSA-N 1 0 303.406 1.205 50 0 DDAARO CN(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)nn1 ZINC000229474608 407664929 /nfs/dbraw/zinc/66/49/29/407664929.db2.gz XQQSNVQSQXGTSF-UONOGXRCSA-N 1 0 303.410 1.241 50 0 DDAARO CSCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC000244601711 407927262 /nfs/dbraw/zinc/92/72/62/407927262.db2.gz DQQCPDVVYAGETG-HUUCEWRRSA-N 1 0 308.447 1.605 50 0 DDAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(c4ccccn4)CC3)ncn2)C1 ZINC000244723773 407934817 /nfs/dbraw/zinc/93/48/17/407934817.db2.gz MHEMFHALRNCQCV-OKILXGFUSA-N 1 0 310.405 1.403 50 0 DDAARO COc1ccccc1N1CC[C@@H](N2CCC([NH+](C)C)CC2)C1=O ZINC000153944657 407939831 /nfs/dbraw/zinc/93/98/31/407939831.db2.gz YWBFXJYYBMESFI-MRXNPFEDSA-N 1 0 317.433 1.827 50 0 DDAARO c1ncn(C2CCCCC2)c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244852609 407941183 /nfs/dbraw/zinc/94/11/83/407941183.db2.gz UVQZIPONZHQTGM-KRWDZBQOSA-N 1 0 317.481 1.868 50 0 DDAARO CC(C)n1cccc1C(=O)N(C)CC1CC[NH+](CCO)CC1 ZINC000244873008 407942083 /nfs/dbraw/zinc/94/20/83/407942083.db2.gz WIHLNJQJECWEGR-UHFFFAOYSA-N 1 0 307.438 1.845 50 0 DDAARO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cnn1-c1ccccc1F ZINC000191370510 408415479 /nfs/dbraw/zinc/41/54/79/408415479.db2.gz CWIGMYMZVZNAOQ-GFCCVEGCSA-N 1 0 302.353 1.883 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)n1 ZINC000191486086 408432485 /nfs/dbraw/zinc/43/24/85/408432485.db2.gz LGOLDXAJBRZWHC-OAHLLOKOSA-N 1 0 300.410 1.784 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000247937673 408515663 /nfs/dbraw/zinc/51/56/63/408515663.db2.gz LUWJMIXNZVSFMV-BBWFWOEESA-N 1 0 321.465 1.720 50 0 DDAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000192232314 408561586 /nfs/dbraw/zinc/56/15/86/408561586.db2.gz SRBFJMAPYQUSMB-INIZCTEOSA-N 1 0 314.389 1.431 50 0 DDAARO CCc1oc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000177838091 408725705 /nfs/dbraw/zinc/72/57/05/408725705.db2.gz QFAMLUKOEZZKTH-AWEZNQCLSA-N 1 0 306.406 1.945 50 0 DDAARO CCn1c2cc(Br)ccc2nc1NC(=O)C[NH2+]C ZINC000193141763 408699188 /nfs/dbraw/zinc/69/91/88/408699188.db2.gz LPFPWVOYBYARKW-UHFFFAOYSA-N 1 0 311.183 1.977 50 0 DDAARO CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252485715 408796456 /nfs/dbraw/zinc/79/64/56/408796456.db2.gz HBZIEFAYQDXLOF-SMDDNHRTSA-N 1 0 302.374 1.676 50 0 DDAARO CC(=O)Nc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000252484853 408796962 /nfs/dbraw/zinc/79/69/62/408796962.db2.gz GJLLIUYGFWQUCS-ZDUSSCGKSA-N 1 0 319.405 1.676 50 0 DDAARO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NS(C)(=O)=O ZINC000252487359 408798583 /nfs/dbraw/zinc/79/85/83/408798583.db2.gz VUMOUPRIIWWLRO-YNEHKIRRSA-N 1 0 316.467 1.252 50 0 DDAARO Cn1cnnc1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000252489036 408799126 /nfs/dbraw/zinc/79/91/26/408799126.db2.gz JDWCHUDAIWGJHS-UHFFFAOYSA-N 1 0 324.388 1.203 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178326939 408805909 /nfs/dbraw/zinc/80/59/09/408805909.db2.gz BDIFSJQIMVWFOA-SECBINFHSA-N 1 0 323.194 1.889 50 0 DDAARO Cc1ccccc1-c1csc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)n1 ZINC000277619571 408979081 /nfs/dbraw/zinc/97/90/81/408979081.db2.gz QVIDNKQIBXQEAC-CMPLNLGQSA-N 1 0 303.387 1.780 50 0 DDAARO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000408016061 164199631 /nfs/dbraw/zinc/19/96/31/164199631.db2.gz HLFXTWRNMGKAMK-OCCSQVGLSA-N 1 0 304.456 1.335 50 0 DDAARO CN(CC(=O)N(C)C[C@@H]1CC[N@H+](C)C1(C)C)Cc1ccccn1 ZINC000299766610 410613809 /nfs/dbraw/zinc/61/38/09/410613809.db2.gz KGEBFPZUPVHLIP-HNNXBMFYSA-N 1 0 318.465 1.702 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Cc1csc(C(C)=O)c1 ZINC000299778275 410620046 /nfs/dbraw/zinc/62/00/46/410620046.db2.gz FYUHBBUKQGYLDW-KBPBESRZSA-N 1 0 324.446 1.717 50 0 DDAARO CSCCC[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299778498 410621108 /nfs/dbraw/zinc/62/11/08/410621108.db2.gz QNZGFDMSSCPWFZ-UHFFFAOYSA-N 1 0 318.450 1.854 50 0 DDAARO Cn1c2cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)ccc2oc1=O ZINC000299781835 410625396 /nfs/dbraw/zinc/62/53/96/410625396.db2.gz UYARCUBCWFDVIL-QWHCGFSZSA-N 1 0 315.373 1.440 50 0 DDAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1cn(C)nn1 ZINC000299792398 410630702 /nfs/dbraw/zinc/63/07/02/410630702.db2.gz FSCQFGQNHGKRPO-LBPRGKRZSA-N 1 0 314.393 1.383 50 0 DDAARO COCCCC[NH+]1CCN(C(=O)Nc2ccc[nH]c2=O)CC1 ZINC000299791993 410632753 /nfs/dbraw/zinc/63/27/53/410632753.db2.gz HFYJZYYHAXKYRB-UHFFFAOYSA-N 1 0 308.382 1.363 50 0 DDAARO O=C(C1CCC1)N1CCn2nc(C[NH2+]C3CCOCC3)cc2C1 ZINC000299800604 410638339 /nfs/dbraw/zinc/63/83/39/410638339.db2.gz UGCOVFCXZBONCW-UHFFFAOYSA-N 1 0 318.421 1.294 50 0 DDAARO COc1cc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc2c1OCCO2 ZINC000132590537 196269273 /nfs/dbraw/zinc/26/92/73/196269273.db2.gz QCCATLXTFPTEHV-JDGPPOGSSA-N 1 0 304.346 1.039 50 0 DDAARO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)n1cncn1 ZINC000044908820 418432610 /nfs/dbraw/zinc/43/26/10/418432610.db2.gz IJUGAWXHZYEAON-CHWSQXEVSA-N 1 0 319.434 1.854 50 0 DDAARO C[C@H](CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000047298538 418456293 /nfs/dbraw/zinc/45/62/93/418456293.db2.gz FBSIAVSNYBLIEM-UGFHNGPFSA-N 1 0 303.362 1.215 50 0 DDAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000048780133 418474242 /nfs/dbraw/zinc/47/42/42/418474242.db2.gz BASDVTYRYSFAHG-GFCCVEGCSA-N 1 0 317.368 1.507 50 0 DDAARO C[C@H]([NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000108371043 418499805 /nfs/dbraw/zinc/49/98/05/418499805.db2.gz KERQVAZAWJABMB-BHYGNILZSA-N 1 0 305.422 1.470 50 0 DDAARO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)[NH+](C)C ZINC000048263096 418468366 /nfs/dbraw/zinc/46/83/66/418468366.db2.gz REWRAQMMHRSMDE-CYBMUJFWSA-N 1 0 305.378 1.334 50 0 DDAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000242047967 222212063 /nfs/dbraw/zinc/21/20/63/222212063.db2.gz VRPDSAFWUVPAEK-XQQFMLRXSA-N 1 0 303.410 1.536 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000252463375 222244219 /nfs/dbraw/zinc/24/42/19/222244219.db2.gz DYHJWGGTSIULJN-RRFJBIMHSA-N 1 0 306.406 1.030 50 0 DDAARO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCCOC1 ZINC000408517085 418806826 /nfs/dbraw/zinc/80/68/26/418806826.db2.gz RXCNRNITEMMRCS-GDBMZVCRSA-N 1 0 304.390 1.618 50 0 DDAARO Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)n1C(F)F ZINC000426689131 419530083 /nfs/dbraw/zinc/53/00/83/419530083.db2.gz HLPIZJKSEOZNPZ-NSHDSACASA-N 1 0 301.337 1.500 50 0 DDAARO O=C(c1cncc(F)c1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000426386941 228565317 /nfs/dbraw/zinc/56/53/17/228565317.db2.gz RLDGVLLBGWQFHL-MRXNPFEDSA-N 1 0 318.396 1.073 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1nc2ccccc2[nH]1 ZINC000426589135 419513007 /nfs/dbraw/zinc/51/30/07/419513007.db2.gz UMZRAXTYDVFOHB-LBPRGKRZSA-N 1 0 302.378 1.140 50 0 DDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1cnnn1C ZINC000496668477 421295960 /nfs/dbraw/zinc/29/59/60/421295960.db2.gz RHOVPJWPMDZRMA-DYEKYZERSA-N 1 0 323.441 1.939 50 0 DDAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000585120750 422307520 /nfs/dbraw/zinc/30/75/20/422307520.db2.gz JGKORQSYEHHCBX-GJZGRUSLSA-N 1 0 307.438 1.236 50 0 DDAARO C[NH+](C)CCc1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1 ZINC000585120777 422308313 /nfs/dbraw/zinc/30/83/13/422308313.db2.gz KUBGBQODCIRCRA-UHFFFAOYSA-N 1 0 317.433 1.594 50 0 DDAARO Cc1cnc(CCN(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)s1 ZINC000662506176 424676610 /nfs/dbraw/zinc/67/66/10/424676610.db2.gz DQVJCNQNEGAWLL-NSHDSACASA-N 1 0 319.434 1.566 50 0 DDAARO CC(=O)Nc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000097505677 275792982 /nfs/dbraw/zinc/79/29/82/275792982.db2.gz KECIHHSZGGSLHV-ROUUACIJSA-N 1 0 317.433 1.676 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000065476344 276071904 /nfs/dbraw/zinc/07/19/04/276071904.db2.gz HBHIMMWZOANPSI-AWEZNQCLSA-N 1 0 323.485 1.156 50 0 DDAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408045943 279208141 /nfs/dbraw/zinc/20/81/41/279208141.db2.gz ACBKTDBPNLYACL-NQBHXWOUSA-N 1 0 321.446 1.075 50 0 DDAARO Cc1[nH]c(=O)c(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)c(C)c1Cl ZINC000097732564 280182349 /nfs/dbraw/zinc/18/23/49/280182349.db2.gz KEIPYIWVOHSCFE-MNOVXSKESA-N 1 0 309.797 1.612 50 0 DDAARO COc1cccc(-n2c(C[NH3+])nnc2SC[C@@H](O)C2CC2)c1 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COc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1F ZINC000670451989 484838746 /nfs/dbraw/zinc/83/87/46/484838746.db2.gz GKMOQWDQLBQZGA-LBPRGKRZSA-N 1 0 310.369 1.411 50 0 DDAARO c1cnn(CCC[NH+]2CCN(c3ccc4nccn4n3)CC2)c1 ZINC000670458316 484842849 /nfs/dbraw/zinc/84/28/49/484842849.db2.gz BYKCUDSNIGDIAV-UHFFFAOYSA-N 1 0 311.393 1.138 50 0 DDAARO COCc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ncn1 ZINC000666378559 485191556 /nfs/dbraw/zinc/19/15/56/485191556.db2.gz DOOJKALQWZJDCP-GFCCVEGCSA-N 1 0 321.425 1.865 50 0 DDAARO CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000222109512 490699058 /nfs/dbraw/zinc/69/90/58/490699058.db2.gz GNULLGUTRXKASE-XJKSGUPXSA-N 1 0 309.454 1.672 50 0 DDAARO COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000299738989 534154224 /nfs/dbraw/zinc/15/42/24/534154224.db2.gz JIEFVDOMWZLDGQ-BFHYXJOUSA-N 1 0 303.406 1.518 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000157534134 525579448 /nfs/dbraw/zinc/57/94/48/525579448.db2.gz 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Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CN(C)CCN1C ZINC000888102159 709214147 /nfs/dbraw/zinc/21/41/47/709214147.db2.gz DVJLKISVFFDBAB-KDOFPFPSSA-N 1 0 315.465 1.569 50 0 DDAARO Cn1nccc1[C@H]([NH3+])C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000958528955 716613021 /nfs/dbraw/zinc/61/30/21/716613021.db2.gz ZSQURBNADQFEGR-LBPRGKRZSA-N 1 0 310.398 1.182 50 0 DDAARO Cn1nccc1[C@@H]([NH3+])[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000958528671 716613180 /nfs/dbraw/zinc/61/31/80/716613180.db2.gz YNVDRTNWIFJYKY-IUODEOHRSA-N 1 0 310.398 1.182 50 0 DDAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC(=O)NC2CC2)CC1 ZINC000952968743 721529055 /nfs/dbraw/zinc/52/90/55/721529055.db2.gz IDIVDQXSGFZZLS-HNNXBMFYSA-N 1 0 307.438 1.378 50 0 DDAARO CN1C(=O)[C@H]2C[N@H+](Cc3ccc([C@@H]4CCCCO4)o3)C[C@H]2C1=O ZINC000885939238 749776832 /nfs/dbraw/zinc/77/68/32/749776832.db2.gz YVSKGIMOOKBXCX-MJBXVCDLSA-N 1 0 318.373 1.568 50 0 DDAARO CCCS(=O)(=O)NC[C@@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000822993530 758259778 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CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000581812696 761713802 /nfs/dbraw/zinc/71/38/02/761713802.db2.gz NHRYRZNCSBIUTC-DLBZAZTESA-N 1 0 317.433 1.928 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccs1 ZINC000586164564 773756259 /nfs/dbraw/zinc/75/62/59/773756259.db2.gz OQJANOKSUPFHQQ-GFCCVEGCSA-N 1 0 318.464 1.479 50 0 DDAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cncs2)C1)c1ccon1 ZINC000952860286 775588710 /nfs/dbraw/zinc/58/87/10/775588710.db2.gz KYCLMKPAYCQADO-NSHDSACASA-N 1 0 306.391 1.773 50 0 DDAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)c2nnc(N)s2)C1 ZINC000095524765 185377871 /nfs/dbraw/zinc/37/78/71/185377871.db2.gz PPPOOZCFGLAGHN-SNVBAGLBSA-N 1 0 311.455 1.592 50 0 DDAARO O=C(NC[C@@H]1CCC[NH2+]1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000178750801 295664426 /nfs/dbraw/zinc/66/44/26/295664426.db2.gz OIDCLFLWGDHDHS-RDJZCZTQSA-N 1 0 315.417 1.608 50 0 DDAARO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000078869472 185121161 /nfs/dbraw/zinc/12/11/61/185121161.db2.gz ANAOZOLAMWGYMQ-GJZGRUSLSA-N 1 0 305.426 1.705 50 0 DDAARO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCCN2CC[NH+](C)CC2)o1 ZINC000254742122 282218138 /nfs/dbraw/zinc/21/81/38/282218138.db2.gz WSWGPXSGMFJTPF-RXBJYRPYSA-N 1 0 317.433 1.780 50 0 DDAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000090460925 185297598 /nfs/dbraw/zinc/29/75/98/185297598.db2.gz VPEWEHMQWSIWFZ-DGCLKSJQSA-N 1 0 308.451 1.746 50 0 DDAARO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CO)CC2)cc1 ZINC000069738999 190810096 /nfs/dbraw/zinc/81/00/96/190810096.db2.gz SDZITSXAXAUYDX-UHFFFAOYSA-N 1 0 304.390 1.922 50 0 DDAARO Cc1cc(C(=O)CSc2nnnn2CC[NH+](C)C)c(C)[nH]1 ZINC000069975555 190845932 /nfs/dbraw/zinc/84/59/32/190845932.db2.gz UOHKJXBSBKFTMD-UHFFFAOYSA-N 1 0 308.411 1.155 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)c1cn(-c2ccccc2)nn1 ZINC000072140342 191048383 /nfs/dbraw/zinc/04/83/83/191048383.db2.gz OGBUURYLZLQVDH-UHFFFAOYSA-N 1 0 322.372 1.813 50 0 DDAARO O=c1cc(N2CC[NH2+]CC2)cnn1CCSc1ccccc1 ZINC000072127291 191043792 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COc1cc(Br)ccc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000148762122 186045574 /nfs/dbraw/zinc/04/55/74/186045574.db2.gz ZEAFMMBSBBLICP-JTQLQIEISA-N 1 0 313.195 1.892 50 0 DDAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1nnc(C(C)(C)C)o1)CC2 ZINC000072267495 191089744 /nfs/dbraw/zinc/08/97/44/191089744.db2.gz NMXBLOCVHYYNSN-NSHDSACASA-N 1 0 318.425 1.873 50 0 DDAARO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237498320 186298066 /nfs/dbraw/zinc/29/80/66/186298066.db2.gz BPIRJLWOPPIOCF-MWLCHTKSSA-N 1 0 313.195 1.776 50 0 DDAARO CO[C@H](C[NH3+])CC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000262886584 186318885 /nfs/dbraw/zinc/31/88/85/186318885.db2.gz OBDJNQBVDGCDDL-AWEZNQCLSA-N 1 0 305.378 1.506 50 0 DDAARO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000623743315 366030461 /nfs/dbraw/zinc/03/04/61/366030461.db2.gz PDDJOOXCWJXTFL-COXVUDFISA-N 1 0 317.433 1.767 50 0 DDAARO COC(=O)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@]12c1ccccc1N(C)C2=O ZINC000020864497 352171024 /nfs/dbraw/zinc/17/10/24/352171024.db2.gz 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CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[N@H+](Cc3ccno3)C2)C1=O ZINC000089869805 353781326 /nfs/dbraw/zinc/78/13/26/353781326.db2.gz WXLFNFUNEMPEAZ-LRDDRELGSA-N 1 0 320.393 1.606 50 0 DDAARO CC[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H]1[NH+](C)C ZINC000089948556 353784429 /nfs/dbraw/zinc/78/44/29/353784429.db2.gz KLOWVMQPCQXKIC-SMDDNHRTSA-N 1 0 317.389 1.430 50 0 DDAARO Nc1cc(N)[nH+]c(SCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000003510254 181028421 /nfs/dbraw/zinc/02/84/21/181028421.db2.gz QLFBPVZZWMZCDX-UHFFFAOYSA-N 1 0 323.809 1.703 50 0 DDAARO CN(C)C(=O)C1(C[NH2+]C2CCC3(CC2)OCCO3)CCCC1 ZINC000155819913 354215425 /nfs/dbraw/zinc/21/54/25/354215425.db2.gz DZZJZXBJFAVWKA-UHFFFAOYSA-N 1 0 310.438 1.910 50 0 DDAARO Oc1cccc(NC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000195576020 354298483 /nfs/dbraw/zinc/29/84/83/354298483.db2.gz KLDATWWOEJFOOP-UHFFFAOYSA-N 1 0 305.422 1.601 50 0 DDAARO O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252477801 354383447 /nfs/dbraw/zinc/38/34/47/354383447.db2.gz 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O=C(CC[N@H+]1CCCC[C@H]1CO)N1CCc2ccccc2C1 ZINC000188963414 200327916 /nfs/dbraw/zinc/32/79/16/200327916.db2.gz BEBPEBCRJDZQFN-KRWDZBQOSA-N 1 0 302.418 1.808 50 0 DDAARO O=C(C[C@@]1(C(=O)NC2CCCC2)CC[NH2+]C1)NC1CCCC1 ZINC000238074336 202435447 /nfs/dbraw/zinc/43/54/47/202435447.db2.gz GSGQNUWRSNISRW-KRWDZBQOSA-N 1 0 307.438 1.474 50 0 DDAARO COc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)o1 ZINC000091563000 193073517 /nfs/dbraw/zinc/07/35/17/193073517.db2.gz DLZVKAXFYWNDHQ-KGLIPLIRSA-N 1 0 322.405 1.455 50 0 DDAARO CCOCCOc1ccccc1C(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091817849 193112374 /nfs/dbraw/zinc/11/23/74/193112374.db2.gz GZOMLDQISMIENO-CVEARBPZSA-N 1 0 318.417 1.911 50 0 DDAARO Cc1ccc(CNC(=O)CCN2C[C@H]([NH3+])[C@@H](C(C)C)C2)cc1 ZINC000092066896 193152519 /nfs/dbraw/zinc/15/25/19/193152519.db2.gz DGYAGKQUDJDXMW-SJORKVTESA-N 1 0 303.450 1.916 50 0 DDAARO CC(=O)c1cccc(OCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)c1 ZINC000252523315 202864350 /nfs/dbraw/zinc/86/43/50/202864350.db2.gz 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/nfs/dbraw/zinc/30/58/62/182305862.db2.gz DMUNWHNYOOHRBQ-FUHWJXTLSA-N 1 0 304.434 1.689 50 0 DDAARO CCc1nnsc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000022694267 182331252 /nfs/dbraw/zinc/33/12/52/182331252.db2.gz MJERHOLRVDKHPX-NSHDSACASA-N 1 0 312.439 1.187 50 0 DDAARO C[NH+]1CCN(CCCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000022791679 182335262 /nfs/dbraw/zinc/33/52/62/182335262.db2.gz LSYMOPCLTWRWOB-OVCLIPMQSA-N 1 0 323.462 1.214 50 0 DDAARO CN(CCOc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023153605 182352044 /nfs/dbraw/zinc/35/20/44/182352044.db2.gz QJFSDGOJWAORAS-UHFFFAOYSA-N 1 0 315.421 1.713 50 0 DDAARO COc1cccc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CCO2)c1 ZINC000333295344 248959830 /nfs/dbraw/zinc/95/98/30/248959830.db2.gz PGFZSTOBRYLARA-WQVCFCJDSA-N 1 0 304.390 1.451 50 0 DDAARO CC(C)CC(=O)Nc1nc(C(=O)NCC[NH+]2CCCC2)cs1 ZINC000040355274 183056206 /nfs/dbraw/zinc/05/62/06/183056206.db2.gz JWGNEPPYZYMRNW-UHFFFAOYSA-N 1 0 324.450 1.953 50 0 DDAARO CC1CC[NH+](CCNC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000040535629 183095846 /nfs/dbraw/zinc/09/58/46/183095846.db2.gz OCFNOOTYDSIPAL-UHFFFAOYSA-N 1 0 314.389 1.385 50 0 DDAARO CC(C)C[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000040506319 183085492 /nfs/dbraw/zinc/08/54/92/183085492.db2.gz UCHAOIRDOISEQX-UHFFFAOYSA-N 1 0 313.405 1.681 50 0 DDAARO CCCn1nc(C(=O)NCC[NH+]2CCCCCC2)ccc1=O ZINC000040510051 183086141 /nfs/dbraw/zinc/08/61/41/183086141.db2.gz CFMXDLXJRJQDEL-UHFFFAOYSA-N 1 0 306.410 1.259 50 0 DDAARO Nc1nccnc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000040512328 183087739 /nfs/dbraw/zinc/08/77/39/183087739.db2.gz GJOWZYAPBDXNFT-UHFFFAOYSA-N 1 0 311.389 1.237 50 0 DDAARO COc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000040525333 183091932 /nfs/dbraw/zinc/09/19/32/183091932.db2.gz DAFHWOGUEGQMBS-CQSZACIVSA-N 1 0 307.394 1.664 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)CS2 ZINC000040535707 183095387 /nfs/dbraw/zinc/09/53/87/183095387.db2.gz VPRQYVPTVIIDTM-UHFFFAOYSA-N 1 0 319.430 1.947 50 0 DDAARO CC(C)C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 ZINC000043008156 183326831 /nfs/dbraw/zinc/32/68/31/183326831.db2.gz ORHHEJFNMSFTSF-UHFFFAOYSA-N 1 0 317.433 1.607 50 0 DDAARO COc1cccc(CN2CC[N@H+](CC3CC3)C[C@H]2CCO)c1 ZINC000104635974 194021132 /nfs/dbraw/zinc/02/11/32/194021132.db2.gz YFYGYVJHRBOCBF-QGZVFWFLSA-N 1 0 304.434 1.974 50 0 DDAARO O=C(CSc1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106166559 194188680 /nfs/dbraw/zinc/18/86/80/194188680.db2.gz NAWMPGOBUOJBNJ-KBPBESRZSA-N 1 0 306.431 1.758 50 0 DDAARO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(OC)c1 ZINC000106380255 194204034 /nfs/dbraw/zinc/20/40/34/194204034.db2.gz WHZHZIPJKSNPDB-MRXNPFEDSA-N 1 0 306.406 1.657 50 0 DDAARO O=c1nc(C[NH2+]CCO)[nH]c2scc(-c3ccccc3)c21 ZINC000057211567 184029729 /nfs/dbraw/zinc/02/97/29/184029729.db2.gz NEQOXEWXQNLFLV-UHFFFAOYSA-N 1 0 301.371 1.734 50 0 DDAARO O=C(Cc1noc2ccccc21)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058162722 184082736 /nfs/dbraw/zinc/08/27/36/184082736.db2.gz PVHGWRWUEZIESC-OLZOCXBDSA-N 1 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ZINC000065473076 184350821 /nfs/dbraw/zinc/35/08/21/184350821.db2.gz PBIIDQAHZOBPAV-AWEZNQCLSA-N 1 0 304.390 1.843 50 0 DDAARO Cc1n[nH]cc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000065491706 184353636 /nfs/dbraw/zinc/35/36/36/184353636.db2.gz JKYKRHSCAVUSPR-QGZVFWFLSA-N 1 0 300.406 1.881 50 0 DDAARO Cc1ccc(NC(=O)C[NH2+]CCN2CCCC[C@@H]2CO)c(C)c1 ZINC000065398911 184336840 /nfs/dbraw/zinc/33/68/40/184336840.db2.gz CFNIQFLCJQOXDS-MRXNPFEDSA-N 1 0 319.449 1.678 50 0 DDAARO O[C@H](COc1ccccc1)CN1CCC([NH+]2CCCC2)CC1 ZINC000065551640 184365157 /nfs/dbraw/zinc/36/51/57/184365157.db2.gz UCURSQSHZUJAPN-KRWDZBQOSA-N 1 0 304.434 1.987 50 0 DDAARO COc1ccccc1CC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000065589288 184369138 /nfs/dbraw/zinc/36/91/38/184369138.db2.gz VGQZPNOUQBQOKB-LBPRGKRZSA-N 1 0 319.405 1.533 50 0 DDAARO Cc1nc(CC[NH2+][C@@H](C)Cn2cncn2)nc2c1CCCC2 ZINC000065499713 184355527 /nfs/dbraw/zinc/35/55/27/184355527.db2.gz YNYVPVICOKBBNG-LBPRGKRZSA-N 1 0 300.410 1.476 50 0 DDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157812715 197217487 /nfs/dbraw/zinc/21/74/87/197217487.db2.gz HATCXOCGZJPWQW-ZDUSSCGKSA-N 1 0 310.467 1.282 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000237308055 256600633 /nfs/dbraw/zinc/60/06/33/256600633.db2.gz LFKVARAKBQVYOM-JOZWUWCOSA-N 1 0 315.417 1.517 50 0 DDAARO Cc1n[nH]c(C)c1CC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000216482394 257273229 /nfs/dbraw/zinc/27/32/29/257273229.db2.gz KRFVFFJZTCWFRV-UHFFFAOYSA-N 1 0 308.470 1.859 50 0 DDAARO C[NH2+]C1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000237152371 257239831 /nfs/dbraw/zinc/23/98/31/257239831.db2.gz UQYNATCSMQYUFI-UHFFFAOYSA-N 1 0 320.784 1.140 50 0 DDAARO CC(C)[C@H](NC(=O)NCc1ccccc1C[NH+](C)C)C(N)=O ZINC000134547519 257242448 /nfs/dbraw/zinc/24/24/48/257242448.db2.gz PORKVKCSZUFOMC-AWEZNQCLSA-N 1 0 306.410 1.057 50 0 DDAARO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2c2cnn(C)c2)no1 ZINC000071797262 184844721 /nfs/dbraw/zinc/84/47/21/184844721.db2.gz LQNOTNMFYKRYJY-ZDUSSCGKSA-N 1 0 303.366 1.882 50 0 DDAARO COc1ccc(Cn2cc(C(=O)N3CC[NH2+]C[C@H]3C)cn2)cc1 ZINC000124482704 195646005 /nfs/dbraw/zinc/64/60/05/195646005.db2.gz UYZUULAQQYOQHD-CYBMUJFWSA-N 1 0 314.389 1.374 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000269617417 286347987 /nfs/dbraw/zinc/34/79/87/286347987.db2.gz HDABACVIULIXFI-GXTWGEPZSA-N 1 0 312.435 1.894 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccc2c1NCCC2 ZINC000223137017 407565494 /nfs/dbraw/zinc/56/54/94/407565494.db2.gz UPZRLTYTOYPSNV-VJUNAUMWSA-N 1 0 315.417 1.492 50 0 DDAARO CCc1ccc(N2CC[NH+](CCCS(N)(=O)=O)CC2)cc1 ZINC000266577068 407566865 /nfs/dbraw/zinc/56/68/65/407566865.db2.gz GICAALPRXFENEV-UHFFFAOYSA-N 1 0 311.451 1.050 50 0 DDAARO CC(C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415385 407570408 /nfs/dbraw/zinc/57/04/08/407570408.db2.gz OLOYIPDGHYMFFS-UHFFFAOYSA-N 1 0 304.438 1.838 50 0 DDAARO COC(=O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=N ZINC000000274208 406635831 /nfs/dbraw/zinc/63/58/31/406635831.db2.gz QXJMWFJCGMBRPK-UHFFFAOYSA-N 1 0 316.405 1.581 50 0 DDAARO COc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000422483 406648676 /nfs/dbraw/zinc/64/86/76/406648676.db2.gz DWKOSSZBYSOKBJ-UHFFFAOYSA-N 1 0 305.363 1.380 50 0 DDAARO NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000757574 406658756 /nfs/dbraw/zinc/65/87/56/406658756.db2.gz KFNHYDQPKBSIEU-INIZCTEOSA-N 1 0 301.434 1.848 50 0 DDAARO COc1ccc(C(=O)OCCNC(=O)c2ccc[n+](C)c2)cc1 ZINC000002880387 406704152 /nfs/dbraw/zinc/70/41/52/406704152.db2.gz KPUICSUVXIQSBN-UHFFFAOYSA-O 1 0 315.349 1.107 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000069627617 406746429 /nfs/dbraw/zinc/74/64/29/406746429.db2.gz IIYYRLGDSLOROP-HOTGVXAUSA-N 1 0 319.449 1.238 50 0 DDAARO Cc1cc(C)n2cc(CN3CCO[C@@H](C[NH+](C)C)C3)nc2n1 ZINC000069739193 406762141 /nfs/dbraw/zinc/76/21/41/406762141.db2.gz BWMQLAXSODCFIG-HNNXBMFYSA-N 1 0 303.410 1.109 50 0 DDAARO C[C@H]([C@H](C)[NH2+]CC(=O)NCCOc1ccccc1)n1cccn1 ZINC000069741383 406766006 /nfs/dbraw/zinc/76/60/06/406766006.db2.gz OBNSUHNIDAUZGW-LSDHHAIUSA-N 1 0 316.405 1.617 50 0 DDAARO C[C@H](OCC1CC1)C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069771553 406768357 /nfs/dbraw/zinc/76/83/57/406768357.db2.gz GEURKOXCQCZOPH-DZGCQCFKSA-N 1 0 312.454 1.353 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccccc1 ZINC000069415058 406708925 /nfs/dbraw/zinc/70/89/25/406708925.db2.gz AHWQAJQCSHEAPZ-HNNXBMFYSA-N 1 0 304.390 1.388 50 0 DDAARO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000069416032 406709762 /nfs/dbraw/zinc/70/97/62/406709762.db2.gz FIISJEGLUMOVPM-WDEREUQCSA-N 1 0 309.797 1.864 50 0 DDAARO CC(=O)N1CCN(C(=O)C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000069484756 406719619 /nfs/dbraw/zinc/71/96/19/406719619.db2.gz FMIDHJDPJXFQFA-UHFFFAOYSA-N 1 0 321.465 1.723 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1CC ZINC000069840623 406778159 /nfs/dbraw/zinc/77/81/59/406778159.db2.gz XTKNFZMIKRZRJF-HNNXBMFYSA-N 1 0 321.469 1.625 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 ZINC000069808997 406774539 /nfs/dbraw/zinc/77/45/39/406774539.db2.gz GZQYUYUNFWTIHG-UHFFFAOYSA-N 1 0 318.377 1.816 50 0 DDAARO COc1ccc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000069925276 406790249 /nfs/dbraw/zinc/79/02/49/406790249.db2.gz FKHZGFLKGKNXIU-AWEZNQCLSA-N 1 0 321.421 1.255 50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2ccnc(-c3ccccc3)n2)C1 ZINC000070004013 406800916 /nfs/dbraw/zinc/80/09/16/406800916.db2.gz RGBTYKRGQKDICH-KRWDZBQOSA-N 1 0 312.417 1.954 50 0 DDAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nncn2CC1 ZINC000012510846 406846555 /nfs/dbraw/zinc/84/65/55/406846555.db2.gz YLNYHVNSAKOLCM-ZDUSSCGKSA-N 1 0 314.389 1.744 50 0 DDAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)CC1 ZINC000071841792 406851819 /nfs/dbraw/zinc/85/18/19/406851819.db2.gz LBJUFXNGASZSKH-INIZCTEOSA-N 1 0 315.417 1.247 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cnn(C)c1 ZINC000071870472 406856404 /nfs/dbraw/zinc/85/64/04/406856404.db2.gz FRWYLPAIDWZGTR-HOTGVXAUSA-N 1 0 304.438 1.828 50 0 DDAARO C[C@H](CNC(=O)C1(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000071867444 406857062 /nfs/dbraw/zinc/85/70/62/406857062.db2.gz NFZDVNNBDJQARO-OAHLLOKOSA-N 1 0 301.434 1.470 50 0 DDAARO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccccc1 ZINC000013540660 406862850 /nfs/dbraw/zinc/86/28/50/406862850.db2.gz LUTPVOUCNBEQAC-DZGCQCFKSA-N 1 0 302.374 1.555 50 0 DDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCc1cccc(Cl)c1 ZINC000071897560 406863959 /nfs/dbraw/zinc/86/39/59/406863959.db2.gz WNIWDVYXAZPWGW-OAHLLOKOSA-N 1 0 324.856 1.428 50 0 DDAARO C[NH+]1CCC2(CC1)OCCN2C(=O)COc1ccc(F)cc1 ZINC000013691884 406866616 /nfs/dbraw/zinc/86/66/16/406866616.db2.gz TZKDHHUXPSADSZ-UHFFFAOYSA-N 1 0 308.353 1.485 50 0 DDAARO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000071912119 406866856 /nfs/dbraw/zinc/86/68/56/406866856.db2.gz FQMISIGXRNHACQ-GOSISDBHSA-N 1 0 309.498 1.907 50 0 DDAARO CCN(C(=O)C[NH2+][C@@H]1CCc2nc(C)nn2C1)C1=CCCCC1 ZINC000072268024 406876299 /nfs/dbraw/zinc/87/62/99/406876299.db2.gz FPJSBHKZLUAOBC-CQSZACIVSA-N 1 0 317.437 1.797 50 0 DDAARO O=C(N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1(c2ccccc2)CC1 ZINC000072269393 406877517 /nfs/dbraw/zinc/87/75/17/406877517.db2.gz STBGGDZNHFCJTK-DLBZAZTESA-N 1 0 314.429 1.776 50 0 DDAARO O=C(CC(C1CC1)C1CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269424 406877859 /nfs/dbraw/zinc/87/78/59/406877859.db2.gz IVSBWUKCDHAMIA-DLBZAZTESA-N 1 0 306.450 1.870 50 0 DDAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1C ZINC000015062238 406878585 /nfs/dbraw/zinc/87/85/85/406878585.db2.gz KIJYZDXKTOAZDX-SFHVURJKSA-N 1 0 316.449 1.953 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000015773075 406881103 /nfs/dbraw/zinc/88/11/03/406881103.db2.gz CYQWQCISDBSCJD-INIZCTEOSA-N 1 0 303.406 1.422 50 0 DDAARO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012386923 406844405 /nfs/dbraw/zinc/84/44/05/406844405.db2.gz WYYNMULKXFKSEU-HNNXBMFYSA-N 1 0 314.389 1.815 50 0 DDAARO CC(C)[C@H](CNC(=O)NCc1ccncc1)[NH+]1CCN(C)CC1 ZINC000071798618 406844540 /nfs/dbraw/zinc/84/45/40/406844540.db2.gz ICCDEUOZJUOKAI-INIZCTEOSA-N 1 0 319.453 1.153 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(Cl)c2)C1 ZINC000028017805 406914921 /nfs/dbraw/zinc/91/49/21/406914921.db2.gz TXKUQRYWTDIGKR-ZDUSSCGKSA-N 1 0 311.813 1.822 50 0 DDAARO Cc1cc(N2CCN(C)[C@@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000032597921 406950018 /nfs/dbraw/zinc/95/00/18/406950018.db2.gz PEMYSMYEIJNGKN-HNNXBMFYSA-N 1 0 319.453 1.278 50 0 DDAARO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)N2CCOCC2)C1 ZINC000076089706 406954835 /nfs/dbraw/zinc/95/48/35/406954835.db2.gz QPSCRXOPLVKEDU-UONOGXRCSA-N 1 0 300.468 1.841 50 0 DDAARO CC1CC[NH+]([C@H](CNC(=O)NCCO)c2cccs2)CC1 ZINC000044966285 407036226 /nfs/dbraw/zinc/03/62/26/407036226.db2.gz AEENHTIBDJOBGM-CYBMUJFWSA-N 1 0 311.451 1.813 50 0 DDAARO CCC[NH+]1CCC(CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000078720201 407042363 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Cc1cc(C)nc(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000084114634 407083464 /nfs/dbraw/zinc/08/34/64/407083464.db2.gz BWIRKIYDMDCDSS-UHFFFAOYSA-N 1 0 320.462 1.929 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000050246833 407129785 /nfs/dbraw/zinc/12/97/85/407129785.db2.gz XONGEWABNWCLSW-SECBINFHSA-N 1 0 324.324 1.555 50 0 DDAARO CCc1noc(C)c1C(=O)NCC1CC[NH+](CCOC)CC1 ZINC000089280162 407129845 /nfs/dbraw/zinc/12/98/45/407129845.db2.gz RKCBIEAJQVOBPK-UHFFFAOYSA-N 1 0 309.410 1.634 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000050242284 407129879 /nfs/dbraw/zinc/12/98/79/407129879.db2.gz FMCVMXKXIRQZDG-MRVPVSSYSA-N 1 0 310.297 1.307 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000050242134 407130095 /nfs/dbraw/zinc/13/00/95/407130095.db2.gz UHIZHKKHVBXLSM-QMMMGPOBSA-N 1 0 310.297 1.307 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)c1cccs1 ZINC000089312219 407130500 /nfs/dbraw/zinc/13/05/00/407130500.db2.gz 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/nfs/dbraw/zinc/16/55/06/407165506.db2.gz YJANUWFZUIYALH-SECBINFHSA-N 1 0 306.790 1.852 50 0 DDAARO CCC(=O)Nc1ccc(OCC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000055090628 407194384 /nfs/dbraw/zinc/19/43/84/407194384.db2.gz RBAWIGVMDRHQHL-UHFFFAOYSA-N 1 0 319.405 1.578 50 0 DDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000054224515 407180599 /nfs/dbraw/zinc/18/05/99/407180599.db2.gz INGNPJLRXJHBNQ-HIFRSBDPSA-N 1 0 311.385 1.940 50 0 DDAARO Cc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc(C)n1 ZINC000092081203 407186312 /nfs/dbraw/zinc/18/63/12/407186312.db2.gz IREWJFUIZVEGFP-CABCVRRESA-N 1 0 305.422 1.331 50 0 DDAARO Cc1nc(-c2ncccn2)sc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000095956033 407217183 /nfs/dbraw/zinc/21/71/83/407217183.db2.gz DPFBFEGSMABEJG-UHFFFAOYSA-N 1 0 317.418 1.733 50 0 DDAARO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000095972675 407219416 /nfs/dbraw/zinc/21/94/16/407219416.db2.gz BHGQYKIUBOFDJV-SNVBAGLBSA-N 1 0 312.395 1.327 50 0 DDAARO O=C(Cc1noc2ccccc21)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649803 407229469 /nfs/dbraw/zinc/22/94/69/407229469.db2.gz PVHGWRWUEZIESC-QWHCGFSZSA-N 1 0 315.373 1.350 50 0 DDAARO O[C@@]1(Cn2ccc(-c3cnccn3)n2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848527 407236384 /nfs/dbraw/zinc/23/63/84/407236384.db2.gz FLJOXHNIWWIIAW-IAGOWNOFSA-N 1 0 313.405 1.720 50 0 DDAARO CC(=O)c1cccc(OC[C@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000064516278 407238450 /nfs/dbraw/zinc/23/84/50/407238450.db2.gz HGHOUAWSNZCNPP-MRXNPFEDSA-N 1 0 307.390 1.333 50 0 DDAARO CC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000065362136 407241869 /nfs/dbraw/zinc/24/18/69/407241869.db2.gz FTYUCISMNJHYKW-UHFFFAOYSA-N 1 0 303.410 1.444 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000123584151 407333283 /nfs/dbraw/zinc/33/32/83/407333283.db2.gz YTZPDGZOVBMVMN-LLVKDONJSA-N 1 0 309.218 1.856 50 0 DDAARO CC(C)[N@H+](C)CC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000096431741 407265628 /nfs/dbraw/zinc/26/56/28/407265628.db2.gz 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COCc1cc(C[N@@H+]2CCC[C@](O)(CO)CC2)ccc1OC ZINC000097514343 407299177 /nfs/dbraw/zinc/29/91/77/407299177.db2.gz RWQPATWNUAEVJJ-QGZVFWFLSA-N 1 0 309.406 1.551 50 0 DDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2csc(N)n2)C1 ZINC000097594858 407299758 /nfs/dbraw/zinc/29/97/58/407299758.db2.gz UOGYBQYQKWCWFZ-NSHDSACASA-N 1 0 308.451 1.743 50 0 DDAARO COCCN(C(=O)c1cnc(C)c(C)c1)C1CC[NH+](C)CC1 ZINC000097572149 407299887 /nfs/dbraw/zinc/29/98/87/407299887.db2.gz WXFFFISSDQPKCB-UHFFFAOYSA-N 1 0 305.422 1.881 50 0 DDAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000097570862 407299928 /nfs/dbraw/zinc/29/99/28/407299928.db2.gz HYCLIXHESURHSG-CABCVRRESA-N 1 0 315.421 1.177 50 0 DDAARO CCCn1cc(CN2CCCN(C(=O)c3cn[nH]c3)CC2)cn1 ZINC000105834034 407355574 /nfs/dbraw/zinc/35/55/74/407355574.db2.gz DTUXDPQEAVJHCJ-UHFFFAOYSA-N 1 0 316.409 1.364 50 0 DDAARO CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1 ZINC000111267583 407404478 /nfs/dbraw/zinc/40/44/78/407404478.db2.gz UXBSQLWXSNTSSD-AWEZNQCLSA-N 1 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ZRKGTDHMVXNERU-OAHLLOKOSA-N 1 0 318.417 1.655 50 0 DDAARO CCCn1cc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c(C)n1 ZINC000216226254 407495222 /nfs/dbraw/zinc/49/52/22/407495222.db2.gz KWECDHDRSBXGHF-CQSZACIVSA-N 1 0 308.426 1.036 50 0 DDAARO C[N@@H+]1CCN(Cc2cccc(Cn3cccn3)c2)C[C@@H]1CO ZINC000216402979 407496154 /nfs/dbraw/zinc/49/61/54/407496154.db2.gz PTUVPQVYRQBCLD-QGZVFWFLSA-N 1 0 300.406 1.040 50 0 DDAARO COc1ccc2cc(C[N@H+](C)CCn3ccnc3)c(=O)[nH]c2c1 ZINC000216538073 407498278 /nfs/dbraw/zinc/49/82/78/407498278.db2.gz GEUNGLPBKQRAHJ-UHFFFAOYSA-N 1 0 312.373 1.865 50 0 DDAARO CCc1nnc([C@@H](C)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 ZINC000221796703 407551296 /nfs/dbraw/zinc/55/12/96/407551296.db2.gz IEOGQVUSVFEMKO-NXEZZACHSA-N 1 0 318.381 1.395 50 0 DDAARO COc1ccc(CCCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000223723555 407571911 /nfs/dbraw/zinc/57/19/11/407571911.db2.gz CGQUOWMQNBIXTC-HOTGVXAUSA-N 1 0 306.406 1.151 50 0 DDAARO C[N@H+](CCSC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000225747951 407604546 /nfs/dbraw/zinc/60/45/46/407604546.db2.gz LZEFXYHJSYIAHL-UHFFFAOYSA-N 1 0 308.513 1.874 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](OC)c2ccccc2)C1 ZINC000229172829 407659543 /nfs/dbraw/zinc/65/95/43/407659543.db2.gz HGSKPZPJHJGGCR-HOCLYGCPSA-N 1 0 306.406 1.459 50 0 DDAARO CN(C)c1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000229176022 407659021 /nfs/dbraw/zinc/65/90/21/407659021.db2.gz SGGPHXCMLCHEKZ-GJZGRUSLSA-N 1 0 317.437 1.574 50 0 DDAARO CCCc1cc(=O)n2nc(N3CC[NH+](C(C)C)CC3)sc2n1 ZINC000225510968 407595043 /nfs/dbraw/zinc/59/50/43/407595043.db2.gz JADKVLHKVQOFEE-UHFFFAOYSA-N 1 0 321.450 1.634 50 0 DDAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000229823924 407672048 /nfs/dbraw/zinc/67/20/48/407672048.db2.gz YTYRCINYZINBIY-ZIAGYGMSSA-N 1 0 317.393 1.384 50 0 DDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nc(N(C)C)cc(C)[nH+]1 ZINC000229551817 407664711 /nfs/dbraw/zinc/66/47/11/407664711.db2.gz WAIBADQPFRTHPF-HUUCEWRRSA-N 1 0 317.437 1.831 50 0 DDAARO O=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000237949892 407853419 /nfs/dbraw/zinc/85/34/19/407853419.db2.gz KKBDOQXAVLHXEK-ZFWWWQNUSA-N 1 0 307.438 1.283 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000237981861 407860185 /nfs/dbraw/zinc/86/01/85/407860185.db2.gz NQTGSTNTHRFXDH-SNVBAGLBSA-N 1 0 318.295 1.566 50 0 DDAARO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C(N)=O)C2)CCO1 ZINC000242038574 407913151 /nfs/dbraw/zinc/91/31/51/407913151.db2.gz VMGPVNIBEXQAQV-DZGCQCFKSA-N 1 0 303.406 1.219 50 0 DDAARO CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccn1 ZINC000243893158 407921283 /nfs/dbraw/zinc/92/12/83/407921283.db2.gz AOOSATULNXLZGA-BETUJISGSA-N 1 0 312.421 1.845 50 0 DDAARO C[C@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CC[NH2+]1 ZINC000155231284 408139771 /nfs/dbraw/zinc/13/97/71/408139771.db2.gz BCBCALQXXNTNRV-KBPBESRZSA-N 1 0 304.390 1.678 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000158545771 408344625 /nfs/dbraw/zinc/34/46/25/408344625.db2.gz 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COc1cccc2c1OCC(C[N@@H+]1CC[C@@H](CNC(C)=O)C1)=C2 ZINC000067856344 696364886 /nfs/dbraw/zinc/36/48/86/696364886.db2.gz JZWZWWMLIHTKEH-AWEZNQCLSA-N 1 0 316.401 1.929 50 0 DDAARO Cc1cc(C)[nH+]c(NNC=C2C(=O)NC(=O)c3ccccc32)n1 ZINC000103208457 696613046 /nfs/dbraw/zinc/61/30/46/696613046.db2.gz HKXSCQZVDCBXEF-JYRVWZFOSA-N 1 0 309.329 1.321 50 0 DDAARO c1nnc2nccc(N3CC[NH+](CCCc4cccnc4)CC3)n12 ZINC000252490623 698402777 /nfs/dbraw/zinc/40/27/77/698402777.db2.gz KXZKBQJHTZFTHB-UHFFFAOYSA-N 1 0 323.404 1.274 50 0 DDAARO CC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000426740601 699155696 /nfs/dbraw/zinc/15/56/96/699155696.db2.gz UEBQSYYKCHZKKP-GFCCVEGCSA-N 1 0 306.414 1.036 50 0 DDAARO CCc1ccc(S(=O)(=O)N(CC[NH3+])C2CCOCC2)cc1 ZINC000675018930 737519612 /nfs/dbraw/zinc/51/96/12/737519612.db2.gz GCGDOTYFBOFLTL-UHFFFAOYSA-N 1 0 312.435 1.377 50 0 DDAARO Cc1cc(NC(=O)C[NH+]2CCCC2)ccc1NC(=O)CN(C)C ZINC000823676159 758340524 /nfs/dbraw/zinc/34/05/24/758340524.db2.gz MCVAUDMAHMZRAB-UHFFFAOYSA-N 1 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COc1ccc(-c2ncnc(N3CC[NH+](C)CC3)c2N)cc1F ZINC000096282137 407257834 /nfs/dbraw/zinc/25/78/34/407257834.db2.gz DDLFDPVCEJBRLK-UHFFFAOYSA-N 1 0 317.368 1.625 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2cccnc2)CC1 ZINC000096407855 407261023 /nfs/dbraw/zinc/26/10/23/407261023.db2.gz HFODYZMELQUDHR-INIZCTEOSA-N 1 0 305.422 1.223 50 0 DDAARO O=C1N(CC2CCC2)CCC[C@@]12CC[N@H+](CCn1cnnc1)C2 ZINC000095357022 407208041 /nfs/dbraw/zinc/20/80/41/407208041.db2.gz NFQIQUMLLLRFRP-KRWDZBQOSA-N 1 0 317.437 1.393 50 0 DDAARO CC1CC[NH+](C[C@H](O)COc2cccc(-n3cnnn3)c2)CC1 ZINC000095439037 407214053 /nfs/dbraw/zinc/21/40/53/407214053.db2.gz UMZKRTHXIKNJTL-HNNXBMFYSA-N 1 0 317.393 1.134 50 0 DDAARO CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000057424785 407215385 /nfs/dbraw/zinc/21/53/85/407215385.db2.gz ZSDZDQNDPREECZ-AWEZNQCLSA-N 1 0 323.412 1.860 50 0 DDAARO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000095969099 407218561 /nfs/dbraw/zinc/21/85/61/407218561.db2.gz CZTJTLQJGCBVLH-CZUORRHYSA-N 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CC[N@H+](C[C@H]1CCCO1)C1CCN(C(=O)c2cnccn2)CC1 ZINC000067805295 407285284 /nfs/dbraw/zinc/28/52/84/407285284.db2.gz ZAGQVGAIONMTKO-OAHLLOKOSA-N 1 0 318.421 1.582 50 0 DDAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CC2 ZINC000097199577 407286206 /nfs/dbraw/zinc/28/62/06/407286206.db2.gz RLSZIUVAOOJKCT-AWEZNQCLSA-N 1 0 323.404 1.526 50 0 DDAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cccc3c1OCO3)CC2 ZINC000097199583 407286361 /nfs/dbraw/zinc/28/63/61/407286361.db2.gz HWLSGVCKCKHVBN-LBPRGKRZSA-N 1 0 300.362 1.674 50 0 DDAARO Cc1nn(CCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(C)c1C ZINC000067909566 407290335 /nfs/dbraw/zinc/29/03/35/407290335.db2.gz KZXPVHLNORFTSU-JKSUJKDBSA-N 1 0 304.438 1.894 50 0 DDAARO COc1ccc([C@H](C)N(C)C(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000067947771 407290848 /nfs/dbraw/zinc/29/08/48/407290848.db2.gz SKRWVAWJHFQSEH-HNNXBMFYSA-N 1 0 319.449 1.852 50 0 DDAARO Cc1[nH]nc(C2CC2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097468531 407298744 /nfs/dbraw/zinc/29/87/44/407298744.db2.gz WIZMAUBUKGWAEA-ZDUSSCGKSA-N 1 0 306.410 1.172 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1cccc2nccnc21 ZINC000097711816 407301452 /nfs/dbraw/zinc/30/14/52/407301452.db2.gz RWAHZEFZWDOKSM-CYBMUJFWSA-N 1 0 314.389 1.206 50 0 DDAARO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000107075173 407369933 /nfs/dbraw/zinc/36/99/33/407369933.db2.gz LRIXQSYFHHEDHC-VNHYZAJKSA-N 1 0 307.438 1.375 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000125246317 407382734 /nfs/dbraw/zinc/38/27/34/407382734.db2.gz AUKULNNYOLIONW-KXMPLOMGSA-N 1 0 322.792 1.945 50 0 DDAARO O=C(c1ccc(=O)[nH]c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000215225142 407479083 /nfs/dbraw/zinc/47/90/83/407479083.db2.gz NGSWGGWEZJHBQA-HNNXBMFYSA-N 1 0 319.405 1.092 50 0 DDAARO [NH3+][C@@H]1CCN(Cc2ccc(OCCCn3ccnc3)cc2)C1 ZINC000215463870 407484447 /nfs/dbraw/zinc/48/44/47/407484447.db2.gz SMJFTBDWFAHBRE-MRXNPFEDSA-N 1 0 300.406 1.885 50 0 DDAARO O=C(c1ccncc1)N1CC[C@@H]2CN(Cc3ccncc3)[C@@H]2C1 ZINC000257192104 407488492 /nfs/dbraw/zinc/48/84/92/407488492.db2.gz SGZXVTROLIWZRR-IAGOWNOFSA-N 1 0 308.385 1.823 50 0 DDAARO [NH3+][C@H]1CCCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000216348371 407494739 /nfs/dbraw/zinc/49/47/39/407494739.db2.gz HUKFUDMQNWQRGW-KRWDZBQOSA-N 1 0 319.449 1.321 50 0 DDAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccnc1 ZINC000253414683 407441721 /nfs/dbraw/zinc/44/17/21/407441721.db2.gz YFJRTMSYGHLXFZ-DLBZAZTESA-N 1 0 311.385 1.304 50 0 DDAARO C[NH+](C)CCn1ccc(NC(=O)NCC2(O)CCCCCC2)n1 ZINC000253430966 407448746 /nfs/dbraw/zinc/44/87/46/407448746.db2.gz YVWUINODEIJRAQ-UHFFFAOYSA-N 1 0 323.441 1.652 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CCO1 ZINC000222198399 407555079 /nfs/dbraw/zinc/55/50/79/407555079.db2.gz IVJSZPTVXFZNIP-CABCVRRESA-N 1 0 318.421 1.063 50 0 DDAARO Cn1c(=O)cccc1C(=O)NC[C@@H](C[NH+](C)C)c1ccccc1 ZINC000225428407 407583960 /nfs/dbraw/zinc/58/39/60/407583960.db2.gz CWORLKHMVJKIED-HNNXBMFYSA-N 1 0 313.401 1.461 50 0 DDAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCCC1)C2 ZINC000218800934 407526692 /nfs/dbraw/zinc/52/66/92/407526692.db2.gz ZYTFRLWZWBVURW-KRWDZBQOSA-N 1 0 315.421 1.847 50 0 DDAARO CCn1c(CN(C)Cc2nc(C)cs2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000220638014 407543473 /nfs/dbraw/zinc/54/34/73/407543473.db2.gz YBNFQYVVKVAUIH-HAQNSBGRSA-N 1 0 320.466 1.900 50 0 DDAARO C[C@@H](CCC(=O)NC1Cc2ccccc2C1)[NH+]1CCOCC1 ZINC000221297891 407546054 /nfs/dbraw/zinc/54/60/54/407546054.db2.gz RUWLEVXXYGBEBM-AWEZNQCLSA-N 1 0 302.418 1.771 50 0 DDAARO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000261754961 407603746 /nfs/dbraw/zinc/60/37/46/407603746.db2.gz DYNYFSFKMVPMGQ-DGCLKSJQSA-N 1 0 307.360 1.458 50 0 DDAARO Cn1cc(N2CCC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)cn1 ZINC000186213173 407607663 /nfs/dbraw/zinc/60/76/63/407607663.db2.gz ARMZHWOCWBZFHB-HNNXBMFYSA-N 1 0 320.437 1.664 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000229386731 407660891 /nfs/dbraw/zinc/66/08/91/407660891.db2.gz QFEMQXOKUOCPPH-HOTGVXAUSA-N 1 0 311.389 1.624 50 0 DDAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)no1 ZINC000229296706 407657381 /nfs/dbraw/zinc/65/73/81/407657381.db2.gz BXVHBXORIQUQCB-HZPDHXFCSA-N 1 0 316.405 1.618 50 0 DDAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C(N)=O)CC1 ZINC000229677559 407668045 /nfs/dbraw/zinc/66/80/45/407668045.db2.gz GDWGYQZXSFKWNA-OSFYFWSMSA-N 1 0 309.454 1.513 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000131000954 407716964 /nfs/dbraw/zinc/71/69/64/407716964.db2.gz QWQGVXLEOGPRNV-AWEZNQCLSA-N 1 0 302.353 1.965 50 0 DDAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(=O)[nH]c1 ZINC000241081889 407909876 /nfs/dbraw/zinc/90/98/76/407909876.db2.gz YRYRYGYJDNRICX-AWEZNQCLSA-N 1 0 305.378 1.160 50 0 DDAARO CN1CC[N@H+](C)[C@@H](CC(=O)NCCCCc2ccccn2)C1 ZINC000244724183 407934458 /nfs/dbraw/zinc/93/44/58/407934458.db2.gz MPGYEAIVHVLBBA-INIZCTEOSA-N 1 0 304.438 1.156 50 0 DDAARO CN(CCCS(=O)(=O)N(C)C)Cc1cc(C(C)(C)C)n[nH]1 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319.405 1.079 50 0 DDAARO O[C@H](COCc1ccco1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065446835 184346160 /nfs/dbraw/zinc/34/61/60/184346160.db2.gz GPLCUADNPXXIAX-HNNXBMFYSA-N 1 0 305.378 1.760 50 0 DDAARO C[C@H](CNC(=O)NCCc1cn2ccccc2n1)[NH+]1CCCC1 ZINC000065452501 184346508 /nfs/dbraw/zinc/34/65/08/184346508.db2.gz ONWJKAAOMNMOGY-CQSZACIVSA-N 1 0 315.421 1.660 50 0 DDAARO COc1c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000065475081 184351638 /nfs/dbraw/zinc/35/16/38/184351638.db2.gz KYBMQBBIHJZETK-YNEHKIRRSA-N 1 0 310.442 1.324 50 0 DDAARO [NH3+]CCc1nc2ccccc2c(NCCN2CCCOC2=O)n1 ZINC000065403547 184337517 /nfs/dbraw/zinc/33/75/17/184337517.db2.gz BCSAFBMPBRBWDK-UHFFFAOYSA-N 1 0 315.377 1.385 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)CN2 ZINC000065517539 184358722 /nfs/dbraw/zinc/35/87/22/184358722.db2.gz ALAFNFLHWLJUAY-CQSZACIVSA-N 1 0 314.389 1.794 50 0 DDAARO COc1cc2c(c(C[NH2+]C[C@@H]3CN(C)CCO3)c1)O[C@H](C)C2 ZINC000065615069 184374297 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CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000004763442 257218663 /nfs/dbraw/zinc/21/86/63/257218663.db2.gz LCJOVPVEQHMTHB-NZVBXONLSA-N 1 0 316.405 1.054 50 0 DDAARO Cc1ccccc1-c1csc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)n1 ZINC000366338974 257235444 /nfs/dbraw/zinc/23/54/44/257235444.db2.gz QVIDNKQIBXQEAC-JQWIXIFHSA-N 1 0 303.387 1.780 50 0 DDAARO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000358782692 257235728 /nfs/dbraw/zinc/23/57/28/257235728.db2.gz AQVFVNFFIJOGFY-WCQYABFASA-N 1 0 321.377 1.534 50 0 DDAARO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)CC[NH2+]1 ZINC000237638644 257238695 /nfs/dbraw/zinc/23/86/95/257238695.db2.gz NDXNCCHLCOJCAG-SNVBAGLBSA-N 1 0 320.343 1.799 50 0 DDAARO C[C@H](c1cccnc1)N1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237433846 257238703 /nfs/dbraw/zinc/23/87/03/257238703.db2.gz SXVVNGRDEWXJPN-KBMXLJTQSA-N 1 0 302.422 1.414 50 0 DDAARO C[C@@](O)(C[NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000071859926 184872131 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ZINC000002746145 406699302 /nfs/dbraw/zinc/69/93/02/406699302.db2.gz HRXOCWBHAKOZGD-UHFFFAOYSA-N 1 0 300.424 1.705 50 0 DDAARO Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c[n+]2ccccc12 ZINC000000387330 406645530 /nfs/dbraw/zinc/64/55/30/406645530.db2.gz JNKADKKMHFBFCD-UHFFFAOYSA-N 1 0 302.379 1.802 50 0 DDAARO O=C(CN1CCC[C@@H]([NH+]2CCCCC2)C1)NCC(F)(F)F ZINC000069538226 406732463 /nfs/dbraw/zinc/73/24/63/406732463.db2.gz BUBDRSKVWHXMKC-GFCCVEGCSA-N 1 0 307.360 1.615 50 0 DDAARO CC[N@H+](C)CCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000069561787 406734232 /nfs/dbraw/zinc/73/42/32/406734232.db2.gz HMADGJKBGABMNW-UHFFFAOYSA-N 1 0 319.384 1.762 50 0 DDAARO C[C@H](O)C[NH+]1CCC(CNCc2nnc(C(C)(C)C)o2)CC1 ZINC000069595923 406740736 /nfs/dbraw/zinc/74/07/36/406740736.db2.gz GZXKSAJTCBJRSZ-LBPRGKRZSA-N 1 0 310.442 1.550 50 0 DDAARO O=C(NCc1ccc2c(c1)OCO2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000069777241 406771681 /nfs/dbraw/zinc/77/16/81/406771681.db2.gz UPSKKKDILIJOKK-AWEZNQCLSA-N 1 0 317.389 1.795 50 0 DDAARO O[C@H](C[NH+]1CCN(CCc2ccncc2)CC1)c1ccccc1 ZINC000069652142 406748793 /nfs/dbraw/zinc/74/87/93/406748793.db2.gz DOVXPTODISGDFM-LJQANCHMSA-N 1 0 311.429 1.975 50 0 DDAARO c1ncn(C[C@@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000069630218 406749059 /nfs/dbraw/zinc/74/90/59/406749059.db2.gz DLUCTKXJPQWOHI-CQSZACIVSA-N 1 0 314.389 1.962 50 0 DDAARO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000069654314 406752487 /nfs/dbraw/zinc/75/24/87/406752487.db2.gz RHHHSLPNGMHAKC-HOCLYGCPSA-N 1 0 322.449 1.799 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000069810324 406772992 /nfs/dbraw/zinc/77/29/92/406772992.db2.gz OUXBAKVUTKIJQR-GJZGRUSLSA-N 1 0 303.406 1.474 50 0 DDAARO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069769933 406769132 /nfs/dbraw/zinc/76/91/32/406769132.db2.gz UQIRLYVGFQRARI-CABCVRRESA-N 1 0 316.405 1.239 50 0 DDAARO CC[NH+](CC)CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000003036992 406711814 /nfs/dbraw/zinc/71/18/14/406711814.db2.gz MVHOJIGDHIYXSJ-AWEZNQCLSA-N 1 0 321.446 1.948 50 0 DDAARO C[C@H](O)C[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000069773790 406771041 /nfs/dbraw/zinc/77/10/41/406771041.db2.gz RSOHZBBYAXJVRM-AWEZNQCLSA-N 1 0 301.390 1.840 50 0 DDAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000008172657 406778416 /nfs/dbraw/zinc/77/84/16/406778416.db2.gz XIEXCFWAIDZTCV-GFCCVEGCSA-N 1 0 309.797 1.154 50 0 DDAARO O=C(C[NH2+]C1(CO)CCOCC1)N[C@@H]1CCCc2ccccc21 ZINC000069841217 406779203 /nfs/dbraw/zinc/77/92/03/406779203.db2.gz GWIDGLIVEWBJRY-MRXNPFEDSA-N 1 0 318.417 1.311 50 0 DDAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069873370 406783468 /nfs/dbraw/zinc/78/34/68/406783468.db2.gz NTVMWWOEYHIVEV-LBPRGKRZSA-N 1 0 314.368 1.891 50 0 DDAARO Cc1cnn(CCC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)c1 ZINC000069928570 406794840 /nfs/dbraw/zinc/79/48/40/406794840.db2.gz XJBCBBPPNMHNFP-HNNXBMFYSA-N 1 0 322.453 1.133 50 0 DDAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008328499 406786203 /nfs/dbraw/zinc/78/62/03/406786203.db2.gz JRDSCURZUMXSHH-GXTWGEPZSA-N 1 0 310.419 1.489 50 0 DDAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000069892450 406786218 /nfs/dbraw/zinc/78/62/18/406786218.db2.gz YJWKGHZTDBJDDW-AWEZNQCLSA-N 1 0 311.451 1.309 50 0 DDAARO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000069876072 406787177 /nfs/dbraw/zinc/78/71/77/406787177.db2.gz RSQMREFWSZOWFF-CYBMUJFWSA-N 1 0 306.435 1.657 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC000069899258 406789081 /nfs/dbraw/zinc/78/90/81/406789081.db2.gz XMAUALICHBBIGK-CABCVRRESA-N 1 0 313.405 1.818 50 0 DDAARO CC(C)[C@@H](C(=O)NCCCn1ccccc1=O)[NH+]1CCCCC1 ZINC000069898943 406789444 /nfs/dbraw/zinc/78/94/44/406789444.db2.gz PCZYMLXCGFZOQH-KRWDZBQOSA-N 1 0 319.449 1.865 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2cncn2)no1 ZINC000069969477 406795768 /nfs/dbraw/zinc/79/57/68/406795768.db2.gz BEVNQOOHZFUMDU-GFCCVEGCSA-N 1 0 304.354 1.068 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1 ZINC000010330823 406821504 /nfs/dbraw/zinc/82/15/04/406821504.db2.gz QQOXEKDYGDTALJ-GFCCVEGCSA-N 1 0 302.334 1.032 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000071144457 406833155 /nfs/dbraw/zinc/83/31/55/406833155.db2.gz DWEOBYWJRIOGGR-GFCCVEGCSA-N 1 0 305.403 1.465 50 0 DDAARO C[NH+]1CCC(CCNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000071375830 406838386 /nfs/dbraw/zinc/83/83/86/406838386.db2.gz FJASTQZHCLNUHP-MRXNPFEDSA-N 1 0 304.390 1.675 50 0 DDAARO CC1CC[NH+](C[C@H](O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000071825087 406847368 /nfs/dbraw/zinc/84/73/68/406847368.db2.gz NZCHNDPDTIRFCQ-LBPRGKRZSA-N 1 0 323.418 1.658 50 0 DDAARO CCOC(=O)C[C@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012648397 406849195 /nfs/dbraw/zinc/84/91/95/406849195.db2.gz LIWIVVWMLYSOFS-LBPRGKRZSA-N 1 0 300.399 1.914 50 0 DDAARO Cc1n[nH]c(=O)c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000071830803 406849925 /nfs/dbraw/zinc/84/99/25/406849925.db2.gz YFTIQLPDCWKWQJ-UHFFFAOYSA-N 1 0 320.437 1.579 50 0 DDAARO CCC[N@@H+]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000071853896 406852478 /nfs/dbraw/zinc/85/24/78/406852478.db2.gz STXNYAYMVAPVLM-UHFFFAOYSA-N 1 0 314.393 1.220 50 0 DDAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CN2CCOC2=S)C1 ZINC000012819804 406852901 /nfs/dbraw/zinc/85/29/01/406852901.db2.gz QLSHIVYRCYFZGJ-CYBMUJFWSA-N 1 0 319.430 1.912 50 0 DDAARO CC[C@@H]1CN(c2ncnc3sccc32)CC[N@@H+]1C[C@@H](C)O ZINC000071859505 406853653 /nfs/dbraw/zinc/85/36/53/406853653.db2.gz YMTBFYTVMHPFSL-VXGBXAGGSA-N 1 0 306.435 1.973 50 0 DDAARO CC[C@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000071859512 406853782 /nfs/dbraw/zinc/85/37/82/406853782.db2.gz MZNZZVBNIJPZSB-KGLIPLIRSA-N 1 0 300.406 1.911 50 0 DDAARO O=C1CCCN1CCC[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000071859925 406854014 /nfs/dbraw/zinc/85/40/14/406854014.db2.gz NANCKINMRZXAHE-AWEZNQCLSA-N 1 0 303.410 1.048 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC000071864622 406855343 /nfs/dbraw/zinc/85/53/43/406855343.db2.gz CSEANJCHXIBHTN-HUUCEWRRSA-N 1 0 315.421 1.154 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)CCO1 ZINC000071877055 406859152 /nfs/dbraw/zinc/85/91/52/406859152.db2.gz IXZMVAPZLZASIX-DOMZBBRYSA-N 1 0 300.349 1.261 50 0 DDAARO C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000071883025 406861475 /nfs/dbraw/zinc/86/14/75/406861475.db2.gz MZQMEDZVVGZREY-HUUCEWRRSA-N 1 0 317.433 1.907 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1 ZINC000071897908 406864448 /nfs/dbraw/zinc/86/44/48/406864448.db2.gz FEEQVVPIBOFYIU-CYBMUJFWSA-N 1 0 322.840 1.868 50 0 DDAARO COc1ccccc1[C@H](CNc1ccc2nnnn2n1)[NH+](C)C ZINC000014139348 406870826 /nfs/dbraw/zinc/87/08/26/406870826.db2.gz FZCCJKYPNBLBEU-LBPRGKRZSA-N 1 0 313.365 1.243 50 0 DDAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1nc(C(C)C)no1)CC2 ZINC000072252971 406874757 /nfs/dbraw/zinc/87/47/57/406874757.db2.gz IJJBFAPNHXFEHY-LLVKDONJSA-N 1 0 304.398 1.699 50 0 DDAARO 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Cc1cccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3C(N)=O)cc(=O)n12 ZINC000097103553 407280754 /nfs/dbraw/zinc/28/07/54/407280754.db2.gz NJAROQQUAYCIEZ-UONOGXRCSA-N 1 0 314.389 1.137 50 0 DDAARO Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067714510 407281666 /nfs/dbraw/zinc/28/16/66/407281666.db2.gz SOATWTIMHQIACZ-HNNXBMFYSA-N 1 0 312.410 1.898 50 0 DDAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C1)NC1CCCC1 ZINC000067883960 407289510 /nfs/dbraw/zinc/28/95/10/407289510.db2.gz UJNUDQPVIPHYNI-CYBMUJFWSA-N 1 0 321.421 1.836 50 0 DDAARO COc1ccc2c(c1)C[C@H]([NH2+]CCc1nnc(N)s1)CC2 ZINC000067955056 407291820 /nfs/dbraw/zinc/29/18/20/407291820.db2.gz TUUBTCHUBFAUBK-GFCCVEGCSA-N 1 0 304.419 1.819 50 0 DDAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000067947793 407291929 /nfs/dbraw/zinc/29/19/29/407291929.db2.gz GZBQKFWQVQGCRS-ZDUSSCGKSA-N 1 0 308.378 1.097 50 0 DDAARO CCCC[N@H+](CCO)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000068045847 407294568 /nfs/dbraw/zinc/29/45/68/407294568.db2.gz 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407484848 /nfs/dbraw/zinc/48/48/48/407484848.db2.gz UXIBXVFVGKTKBR-BBRMVZONSA-N 1 0 321.396 1.006 50 0 DDAARO CNC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1COC ZINC000257190750 407486737 /nfs/dbraw/zinc/48/67/37/407486737.db2.gz OYZGRJSUQSMHHA-WDEREUQCSA-N 1 0 316.323 1.544 50 0 DDAARO Cc1ccc(C2(C(=O)N3CC[C@@H](C[NH3+])C3)CCOCC2)cc1 ZINC000178543635 407487936 /nfs/dbraw/zinc/48/79/36/407487936.db2.gz FCOCOKKBCVHOPC-HNNXBMFYSA-N 1 0 302.418 1.850 50 0 DDAARO OC[C@@]1(O)CC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000216454727 407495840 /nfs/dbraw/zinc/49/58/40/407495840.db2.gz CWHUCTQXOODMSU-OAHLLOKOSA-N 1 0 307.781 1.455 50 0 DDAARO CC(C)(C[N@@H+]1CCOc2ccc(CO)cc2C1)N1CCOCC1 ZINC000216430948 407496839 /nfs/dbraw/zinc/49/68/39/407496839.db2.gz NHJNJWKCCPFTHJ-UHFFFAOYSA-N 1 0 320.433 1.484 50 0 DDAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000170591214 407445132 /nfs/dbraw/zinc/44/51/32/407445132.db2.gz STWLWRPCRJLLEQ-PMPSAXMXSA-N 1 0 315.417 1.511 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170619142 407456591 /nfs/dbraw/zinc/45/65/91/407456591.db2.gz WGTREZGGBINDFV-UHFFFAOYSA-N 1 0 320.393 1.174 50 0 DDAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 ZINC000253603098 407460667 /nfs/dbraw/zinc/46/06/67/407460667.db2.gz AHWWVVQCYHAQKQ-HRCADAONSA-N 1 0 320.437 1.340 50 0 DDAARO CC(C)c1nccn1CCCNC(=O)CC[NH+]1CCN(C)CC1 ZINC000219283278 407530294 /nfs/dbraw/zinc/53/02/94/407530294.db2.gz LMHFBIOEZYTAAD-UHFFFAOYSA-N 1 0 321.469 1.150 50 0 DDAARO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000219619349 407532318 /nfs/dbraw/zinc/53/23/18/407532318.db2.gz LORIJJDKCOTPGP-INIZCTEOSA-N 1 0 304.438 1.998 50 0 DDAARO Cc1occc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000225481412 407590967 /nfs/dbraw/zinc/59/09/67/407590967.db2.gz PVGPGGBXODHNMQ-HIFRSBDPSA-N 1 0 319.405 1.308 50 0 DDAARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(Cl)c3)C2)CC1 ZINC000221355392 407548959 /nfs/dbraw/zinc/54/89/59/407548959.db2.gz 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C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000158955610 408374328 /nfs/dbraw/zinc/37/43/28/408374328.db2.gz ZAPODYIEMLFCFS-NSHDSACASA-N 1 0 302.353 1.841 50 0 DDAARO O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000247741152 408506196 /nfs/dbraw/zinc/50/61/96/408506196.db2.gz OFYJVMIFBXILGE-GJZGRUSLSA-N 1 0 302.378 1.182 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1cnn(C)c1 ZINC000248104913 408533080 /nfs/dbraw/zinc/53/30/80/408533080.db2.gz FRWYLPAIDWZGTR-JKSUJKDBSA-N 1 0 304.438 1.828 50 0 DDAARO CN(C)c1noc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000192766686 408643943 /nfs/dbraw/zinc/64/39/43/408643943.db2.gz WNTDWZZXCYAUBK-OCCSQVGLSA-N 1 0 305.426 1.584 50 0 DDAARO O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CO)C1CCC1 ZINC000253410027 408814468 /nfs/dbraw/zinc/81/44/68/408814468.db2.gz MTDXRBYHUJQSSD-XJKSGUPXSA-N 1 0 324.371 1.674 50 0 DDAARO O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCC[NH2+]C1 ZINC000252488950 408798657 /nfs/dbraw/zinc/79/86/57/408798657.db2.gz 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410625422 /nfs/dbraw/zinc/62/54/22/410625422.db2.gz HTVVUHRAAQKZFP-UHFFFAOYSA-N 1 0 303.410 1.655 50 0 DDAARO CC(C)(CN1CC[C@@H]2OCc3cnnn3[C@H]2C1)[NH+]1CCCCC1 ZINC000299785664 410627545 /nfs/dbraw/zinc/62/75/45/410627545.db2.gz RENBDOKPJDFBMU-HOTGVXAUSA-N 1 0 319.453 1.688 50 0 DDAARO CCCn1nccc1NC(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000299789146 410628240 /nfs/dbraw/zinc/62/82/40/410628240.db2.gz WJTGUHWKTQWQHC-CYBMUJFWSA-N 1 0 309.414 1.119 50 0 DDAARO COCCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1 ZINC000299802123 410638413 /nfs/dbraw/zinc/63/84/13/410638413.db2.gz XNBQPJQMSFFWEI-KGLIPLIRSA-N 1 0 311.813 1.004 50 0 DDAARO COc1ccc(Cn2cc(C(=O)N3CC[C@@H]([NH3+])C3)cn2)cc1 ZINC000132499303 196260226 /nfs/dbraw/zinc/26/02/26/196260226.db2.gz BZGXGRLKLUHEAK-CQSZACIVSA-N 1 0 300.362 1.113 50 0 DDAARO O=C(NCC1CC[NH+](CCO)CC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000132627886 196271922 /nfs/dbraw/zinc/27/19/22/196271922.db2.gz OYUWRUIQZGLACF-XYPWUTKMSA-N 1 0 322.449 1.202 50 0 DDAARO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000134172435 196367509 /nfs/dbraw/zinc/36/75/09/196367509.db2.gz UGTDDYCHNAVIKC-WBVHZDCISA-N 1 0 321.465 1.649 50 0 DDAARO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccc3c(c2)OCCCO3)cn1 ZINC000044974466 418434327 /nfs/dbraw/zinc/43/43/27/418434327.db2.gz CMNGBYHQCJIZBE-OAHLLOKOSA-N 1 0 317.389 1.747 50 0 DDAARO CC(C)C(=O)NCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048004180 418463632 /nfs/dbraw/zinc/46/36/32/418463632.db2.gz OSPUAODLEWZYLC-HNNXBMFYSA-N 1 0 320.437 1.361 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000179222247 221894621 /nfs/dbraw/zinc/89/46/21/221894621.db2.gz FPVZISARHDZUHY-GWCFXTLKSA-N 1 0 317.393 1.583 50 0 DDAARO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1CC ZINC000240900714 222210196 /nfs/dbraw/zinc/21/01/96/222210196.db2.gz ITKDFDFVRPSODR-UPJWGTAASA-N 1 0 323.437 1.873 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000257365429 222251052 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O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299747305 229389480 /nfs/dbraw/zinc/38/94/80/229389480.db2.gz COHSQSZXZPZKKR-AEFFLSMTSA-N 1 0 310.397 1.658 50 0 DDAARO Cc1nc(C(C)C)ncc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000299791518 229448457 /nfs/dbraw/zinc/44/84/57/229448457.db2.gz DJDBAWHTMINWFL-AWEZNQCLSA-N 1 0 317.437 1.028 50 0 DDAARO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655716230 424644029 /nfs/dbraw/zinc/64/40/29/424644029.db2.gz RCADOBQBSCAKGG-MSOLQXFVSA-N 1 0 304.434 1.433 50 0 DDAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004047047 287716255 /nfs/dbraw/zinc/71/62/55/287716255.db2.gz KEPMHUZELDLQCA-ZWUHOBOKSA-N 1 0 303.406 1.167 50 0 biogenic DDAARO C[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)[C@@H]1C[NH3+] ZINC000156871417 274289734 /nfs/dbraw/zinc/28/97/34/274289734.db2.gz PPXVJHJHGYRDLK-ZWNOBZJWSA-N 1 0 300.362 1.123 50 0 DDAARO Cn1cc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2=O)cn1 ZINC000090017570 274893172 /nfs/dbraw/zinc/89/31/72/274893172.db2.gz NCHBPQZEKUAUSR-STQMWFEESA-N 1 0 306.410 1.461 50 0 DDAARO COCCN1C[C@@]2(CCCN(c3cc[nH+]cc3)C2)CCC1=O ZINC000085533899 277227653 /nfs/dbraw/zinc/22/76/53/277227653.db2.gz AMDNNYFJQQETLM-KRWDZBQOSA-N 1 0 303.406 1.937 50 0 DDAARO CC(C)c1ccc(CC[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000006590167 278034982 /nfs/dbraw/zinc/03/49/82/278034982.db2.gz IXVMTCIAKXMVRW-SFHVURJKSA-N 1 0 306.450 1.635 50 0 DDAARO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000095985392 278264686 /nfs/dbraw/zinc/26/46/86/278264686.db2.gz WSAGIVFGXJYMBU-QWHCGFSZSA-N 1 0 304.456 1.063 50 0 DDAARO Cc1cc(C)c(N2C[C@@H](C(=O)N3CC[C@H]([NH3+])C3)CC2=O)c(C)c1 ZINC000178267482 278661871 /nfs/dbraw/zinc/66/18/71/278661871.db2.gz YJVXHYPJIFYINU-GJZGRUSLSA-N 1 0 315.417 1.524 50 0 DDAARO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000178750809 303790262 /nfs/dbraw/zinc/79/02/62/303790262.db2.gz OIDCLFLWGDHDHS-DOTOQJQBSA-N 1 0 315.417 1.608 50 0 DDAARO CCOc1c(CNC(=O)N(C)[C@H]2CC[N@H+](C)C2)cccc1OC ZINC000534587706 334292708 /nfs/dbraw/zinc/29/27/08/334292708.db2.gz FIHRBRHSUHHPMB-AWEZNQCLSA-N 1 0 321.421 1.939 50 0 DDAARO O=C(NCC[NH+]1CCCCCC1)N[C@H](CO)Cc1ccccc1 ZINC000534665409 334318341 /nfs/dbraw/zinc/31/83/41/334318341.db2.gz NGVFUMQRGOQLAH-KRWDZBQOSA-N 1 0 319.449 1.765 50 0 DDAARO O=C(NCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)C1CCCC1 ZINC000084137298 483991759 /nfs/dbraw/zinc/99/17/59/483991759.db2.gz ZDVKFBOQVVUYJF-MRXNPFEDSA-N 1 0 321.465 1.531 50 0 DDAARO Cc1ccc(C(=O)N2C[C@H](C[NH+](C)C)C3(C2)CCOCC3)cn1 ZINC000169793291 484092811 /nfs/dbraw/zinc/09/28/11/484092811.db2.gz XINAHGDWEDJXRQ-INIZCTEOSA-N 1 0 317.433 1.820 50 0 DDAARO O=C(Cc1ccc(F)c(F)c1)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670435313 484827940 /nfs/dbraw/zinc/82/79/40/484827940.db2.gz VMUZJUSOUNWPNB-CYBMUJFWSA-N 1 0 312.360 1.470 50 0 DDAARO Cc1csc2c1ncn([C@H]1COC3(C1)CC[NH2+]CC3)c2=O ZINC000670436116 484828353 /nfs/dbraw/zinc/82/83/53/484828353.db2.gz 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317.414 1.395 50 0 DDAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cnoc1-c1ccccc1 ZINC000097546484 407299164 /nfs/dbraw/zinc/29/91/64/407299164.db2.gz IKSRGHUDCBHPKZ-UHFFFAOYSA-N 1 0 323.356 1.571 50 0 DDAARO O=C([O-])[C@H]1C[NH2+]CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000097831158 407302786 /nfs/dbraw/zinc/30/27/86/407302786.db2.gz WUGOBZJHTVQVID-INIZCTEOSA-N 1 0 317.433 1.257 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000124313468 407354135 /nfs/dbraw/zinc/35/41/35/407354135.db2.gz UWOWIKKNRZRMHP-NVXWUHKLSA-N 1 0 317.433 1.098 50 0 DDAARO CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000107351164 407372806 /nfs/dbraw/zinc/37/28/06/407372806.db2.gz PGGYZSXEFHOUIK-BBRMVZONSA-N 1 0 323.481 1.068 50 0 DDAARO Cc1csc(CN(C)C(=O)CN(C)Cc2cccnc2)n1 ZINC000214994708 407480052 /nfs/dbraw/zinc/48/00/52/407480052.db2.gz ASCZKCJIKRBWCS-UHFFFAOYSA-N 1 0 304.419 1.937 50 0 DDAARO CN(C)c1ccc(C[N@@H+]2CCCO[C@@H](Cn3cccn3)C2)cn1 ZINC000215390699 407484979 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[NH3+]C[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000237944642 407852262 /nfs/dbraw/zinc/85/22/62/407852262.db2.gz LJLSVLSJKRXQHJ-CYBMUJFWSA-N 1 0 314.389 1.126 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000237846359 407843898 /nfs/dbraw/zinc/84/38/98/407843898.db2.gz QLSIFLFSEHHSGH-VIFPVBQESA-N 1 0 314.183 1.091 50 0 DDAARO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000241693948 407911759 /nfs/dbraw/zinc/91/17/59/407911759.db2.gz QIZVULVVIJMFQW-ZDUSSCGKSA-N 1 0 316.405 1.503 50 0 DDAARO Cc1nonc1CC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C ZINC000244584395 407928622 /nfs/dbraw/zinc/92/86/22/407928622.db2.gz CYNAJUKGYQNQRT-CQSZACIVSA-N 1 0 300.362 1.093 50 0 DDAARO O=S(=O)(c1ccc2c(c1)CCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247660015 408500257 /nfs/dbraw/zinc/50/02/57/408500257.db2.gz ZRDCQIDYANXGQW-ZDUSSCGKSA-N 1 0 308.403 1.090 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](C)Cn1cccn1 ZINC000247962432 408520371 /nfs/dbraw/zinc/52/03/71/408520371.db2.gz 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COc1cccc(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000237461307 186292790 /nfs/dbraw/zinc/29/27/90/186292790.db2.gz LVLVURZFMYNMLH-JKSUJKDBSA-N 1 0 303.406 1.471 50 0 DDAARO CN(C)c1ccc(C=[NH+][N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000004092021 352111468 /nfs/dbraw/zinc/11/14/68/352111468.db2.gz FJNVTAFNQUCSGW-UHFFFAOYSA-N 1 0 318.402 1.846 50 0 DDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccsc3)CC[C@H]21 ZINC000072423108 191158326 /nfs/dbraw/zinc/15/83/26/191158326.db2.gz LUEKKMDVNOVUOS-GXTWGEPZSA-N 1 0 321.446 1.421 50 0 DDAARO NC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1N1CCCC1 ZINC000072421631 191158351 /nfs/dbraw/zinc/15/83/51/191158351.db2.gz FMJIOBDPEAUUTR-NWDGAFQWSA-N 1 0 316.405 1.452 50 0 DDAARO CN(C[C@@H]1Cc2ccccc2O1)c1ncnc2c1CC[NH2+]CC2 ZINC000072433614 191164528 /nfs/dbraw/zinc/16/45/28/191164528.db2.gz RUEXQWJDWAYUPZ-AWEZNQCLSA-N 1 0 310.401 1.605 50 0 DDAARO CN(Cc1ccc2nonc2c1)c1ncnc2c1CC[NH2+]CC2 ZINC000072476160 191178598 /nfs/dbraw/zinc/17/85/98/191178598.db2.gz 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COc1ccc(C)cc1-n1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)n1 ZINC000179060962 198975941 /nfs/dbraw/zinc/97/59/41/198975941.db2.gz QVOJOAIURGKWGP-ZDUSSCGKSA-N 1 0 314.389 1.623 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2sc(C)nc2C)C1 ZINC000237320873 202229090 /nfs/dbraw/zinc/22/90/90/202229090.db2.gz RDKGONJZCRXQEJ-LLVKDONJSA-N 1 0 303.453 1.380 50 0 DDAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000237518777 202268893 /nfs/dbraw/zinc/26/88/93/202268893.db2.gz RXQNHZACFXWWTN-QWRGUYRKSA-N 1 0 320.368 1.307 50 0 DDAARO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cncn3C)c2)CCO1 ZINC000237639064 202314224 /nfs/dbraw/zinc/31/42/24/202314224.db2.gz MLZHCWIOAGXFSB-HNNXBMFYSA-N 1 0 314.433 1.931 50 0 DDAARO Cc1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)c(OC[C@@H]2CCOC2)c1 ZINC000237746534 202344734 /nfs/dbraw/zinc/34/47/34/202344734.db2.gz TZCROMVXDFEIHD-GDBMZVCRSA-N 1 0 318.417 1.636 50 0 DDAARO C[NH+](C)CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000006176970 181317844 /nfs/dbraw/zinc/31/78/44/181317844.db2.gz OGVFUZXVQPUASW-ZDUSSCGKSA-N 1 0 307.419 1.557 50 0 DDAARO C[NH+](C)CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000006176963 181317857 /nfs/dbraw/zinc/31/78/57/181317857.db2.gz OGVFUZXVQPUASW-CYBMUJFWSA-N 1 0 307.419 1.557 50 0 DDAARO COC(=O)c1cc2occc2n1C[C@H](O)C[NH+]1CCCCC1 ZINC000006228870 181321472 /nfs/dbraw/zinc/32/14/72/181321472.db2.gz HMSOZQMJPPGRPI-GFCCVEGCSA-N 1 0 306.362 1.868 50 0 DDAARO C=Cn1cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000194374894 201213408 /nfs/dbraw/zinc/21/34/08/201213408.db2.gz YRBKYZYKMIJNEH-IRXDYDNUSA-N 1 0 304.438 1.841 50 0 DDAARO Cc1cccc2nc(CNC(=O)c3csc(CC[NH3+])n3)cn21 ZINC000194835434 201297603 /nfs/dbraw/zinc/29/76/03/201297603.db2.gz ULXSXZWLWUNKST-UHFFFAOYSA-N 1 0 315.402 1.530 50 0 DDAARO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090797403 192934098 /nfs/dbraw/zinc/93/40/98/192934098.db2.gz UDIHQBZZPVYKQE-RYUDHWBXSA-N 1 0 302.465 1.989 50 0 DDAARO CCOC1CC(C[NH2+]Cc2cncs2)(N2CCOCC2)C1 ZINC000195459144 201392854 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CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1c1nc(C)cc(C2CCC2)n1 ZINC000091635546 193083035 /nfs/dbraw/zinc/08/30/35/193083035.db2.gz LYASBRVUXVAMCX-JSGCOSHPSA-N 1 0 303.410 1.095 50 0 DDAARO CC(C)Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCCC2)on1 ZINC000091914665 193126018 /nfs/dbraw/zinc/12/60/18/193126018.db2.gz SHRNDEBHEUMZOD-HNNXBMFYSA-N 1 0 323.437 1.840 50 0 DDAARO Cc1c[nH]c(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c(C)c1=O ZINC000092001553 193139903 /nfs/dbraw/zinc/13/99/03/193139903.db2.gz XAGKYVLGRWXXRJ-OAHLLOKOSA-N 1 0 306.406 1.498 50 0 DDAARO C[NH+](C)[C@H]1CN(CC(=O)NCc2ccccc2)C[C@@H]1C1CC1 ZINC000092028235 193144096 /nfs/dbraw/zinc/14/40/96/193144096.db2.gz VHSQCLLWYYHREV-SJORKVTESA-N 1 0 301.434 1.575 50 0 DDAARO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000222071442 201600169 /nfs/dbraw/zinc/60/01/69/201600169.db2.gz KXSCINDCYVAHCJ-QLFBSQMISA-N 1 0 323.481 1.870 50 0 DDAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)[C@@H]1CCOC1 ZINC000252527480 202864001 /nfs/dbraw/zinc/86/40/01/202864001.db2.gz CQLQHIYCDPZZSB-CQSZACIVSA-N 1 0 312.479 1.747 50 0 DDAARO [NH3+][C@@H](CC(=O)N1CCNC[C@@H]1c1cccnc1)c1ccccc1 ZINC000261939581 203157165 /nfs/dbraw/zinc/15/71/65/203157165.db2.gz KJMQELYXSMCQLT-DLBZAZTESA-N 1 0 310.401 1.645 50 0 DDAARO O=C([C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000187683538 296138072 /nfs/dbraw/zinc/13/80/72/296138072.db2.gz RVRWEJNTBUYDRQ-ZIAGYGMSSA-N 1 0 310.781 1.228 50 0 DDAARO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000262534685 203322023 /nfs/dbraw/zinc/32/20/23/203322023.db2.gz JLQJMRBWUHDJKL-MRXNPFEDSA-N 1 0 306.410 1.683 50 0 DDAARO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000262549054 203327365 /nfs/dbraw/zinc/32/73/65/203327365.db2.gz WWXSRDDKHYXSGV-MJVIPROJSA-N 1 0 315.377 1.189 50 0 DDAARO CC[C@@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000262714420 203390171 /nfs/dbraw/zinc/39/01/71/203390171.db2.gz GIGGTVUAKJWUPP-BFHYXJOUSA-N 1 0 306.410 1.447 50 0 DDAARO Cc1nn(C)c2nc(N3CCC(O)(C[NH+](C)C)CC3)sc12 ZINC000096160840 193556984 /nfs/dbraw/zinc/55/69/84/193556984.db2.gz XAMMAERTPNSYKW-UHFFFAOYSA-N 1 0 309.439 1.231 50 0 DDAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ncc(F)cc1F ZINC000222772376 284265664 /nfs/dbraw/zinc/26/56/64/284265664.db2.gz RAAGVDRRPFZZRI-DZGBDDFRSA-N 1 0 323.343 1.341 50 0 DDAARO O=C(Cc1noc2ccccc21)NCCCN1CCOCC1 ZINC000015674959 182011770 /nfs/dbraw/zinc/01/17/70/182011770.db2.gz QKHYSBHYSNQKFT-UHFFFAOYSA-N 1 0 303.362 1.209 50 0 DDAARO C[C@@H]1C[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000019790711 182149324 /nfs/dbraw/zinc/14/93/24/182149324.db2.gz YSZPCSVPTVDBNN-NFAWXSAZSA-N 1 0 323.389 1.402 50 0 DDAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCO)C2=O)cc1 ZINC000019830961 182154191 /nfs/dbraw/zinc/15/41/91/182154191.db2.gz VQBCGGUTKXQHKH-CQSZACIVSA-N 1 0 306.362 1.079 50 0 DDAARO CC[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000019902737 182162178 /nfs/dbraw/zinc/16/21/78/182162178.db2.gz RCMZYRDQHKAVHQ-UHFFFAOYSA-N 1 0 319.405 1.424 50 0 DDAARO CCC[NH2+]CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000020283134 182203222 /nfs/dbraw/zinc/20/32/22/182203222.db2.gz JTNJKRZBTYTTQY-OAHLLOKOSA-N 1 0 317.389 1.857 50 0 DDAARO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000022999034 182344287 /nfs/dbraw/zinc/34/42/87/182344287.db2.gz RBVKREOYJDIEPW-UHFFFAOYSA-N 1 0 311.332 1.361 50 0 DDAARO CCn1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c(C)n1 ZINC000023145893 182351603 /nfs/dbraw/zinc/35/16/03/182351603.db2.gz KYLAAMQGTJTPOF-KRWDZBQOSA-N 1 0 308.470 1.736 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000039918080 183022290 /nfs/dbraw/zinc/02/22/90/183022290.db2.gz SLURICPJDQTYFX-CQSZACIVSA-N 1 0 303.406 1.498 50 0 DDAARO CCc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)[NH+](C)C)cc1 ZINC000039975678 183026122 /nfs/dbraw/zinc/02/61/22/183026122.db2.gz LTRULUSHXHWBEJ-MRXNPFEDSA-N 1 0 313.401 1.970 50 0 DDAARO O=C(Cn1cccn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040514244 183088544 /nfs/dbraw/zinc/08/85/44/183088544.db2.gz KCOUTUBRMCUMEZ-UHFFFAOYSA-N 1 0 304.419 1.679 50 0 DDAARO C[C@@H](CNC(=O)NCc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000040554351 183100943 /nfs/dbraw/zinc/10/09/43/183100943.db2.gz WMRREBHMZKLGFA-AWEZNQCLSA-N 1 0 322.428 1.508 50 0 DDAARO O=C(CCn1cncn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000041948724 183226781 /nfs/dbraw/zinc/22/67/81/183226781.db2.gz DWZMGNHREOFIIJ-CQSZACIVSA-N 1 0 317.393 1.605 50 0 DDAARO C[N@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000106108630 194185599 /nfs/dbraw/zinc/18/55/99/194185599.db2.gz SANIAZWXTGUPKP-CABCVRRESA-N 1 0 323.389 1.404 50 0 DDAARO CCNC(=O)NC(=O)CNc1ccccc1C[NH+](CC)CC ZINC000055869728 183999337 /nfs/dbraw/zinc/99/93/37/183999337.db2.gz IWHAEORSAFHZLI-UHFFFAOYSA-N 1 0 306.410 1.786 50 0 DDAARO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000058210417 184088785 /nfs/dbraw/zinc/08/87/85/184088785.db2.gz MJMFKIBPJIFUJS-AWEZNQCLSA-N 1 0 318.417 1.989 50 0 DDAARO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 ZINC000058160029 184082116 /nfs/dbraw/zinc/08/21/16/184082116.db2.gz GQCQHQSCVFFRCT-SECBINFHSA-N 1 0 315.295 1.908 50 0 DDAARO COc1c(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000058391475 184111139 /nfs/dbraw/zinc/11/11/39/184111139.db2.gz XDVUMTKMEDGXPK-BETUJISGSA-N 1 0 324.469 1.715 50 0 DDAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2F)C1 ZINC000058264908 184096188 /nfs/dbraw/zinc/09/61/88/184096188.db2.gz OUOATCYCEYZAOX-LBPRGKRZSA-N 1 0 322.384 1.535 50 0 DDAARO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000058280048 184098703 /nfs/dbraw/zinc/09/87/03/184098703.db2.gz DVTCCRDLCHURQJ-KBPBESRZSA-N 1 0 316.401 1.599 50 0 DDAARO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000058330290 184106331 /nfs/dbraw/zinc/10/63/31/184106331.db2.gz OAAYPMUJRFFMNB-LBPRGKRZSA-N 1 0 307.394 1.588 50 0 DDAARO COc1ccc([C@@H]2CCC[N@@H+]2CCCC(=O)NC(N)=O)cc1 ZINC000064431356 184296513 /nfs/dbraw/zinc/29/65/13/184296513.db2.gz LHJVHGXTVTZUCC-AWEZNQCLSA-N 1 0 305.378 1.807 50 0 DDAARO C[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@@H]1CCCCO1 ZINC000065407548 184339412 /nfs/dbraw/zinc/33/94/12/184339412.db2.gz YTVXYGNRWBIQHJ-ZDUSSCGKSA-N 1 0 311.451 1.981 50 0 DDAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(C(=O)C2CC2)CC1 ZINC000065414324 184340663 /nfs/dbraw/zinc/34/06/63/184340663.db2.gz LRNLQOGMLWMOSU-UHFFFAOYSA-N 1 0 321.465 1.627 50 0 DDAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@@H]1CCOC1 ZINC000065479199 184352431 /nfs/dbraw/zinc/35/24/31/184352431.db2.gz CFQXBJQSKGLUJC-NSHDSACASA-N 1 0 301.346 1.932 50 0 DDAARO Cc1n[nH]cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000065491703 184353868 /nfs/dbraw/zinc/35/38/68/184353868.db2.gz JKYKRHSCAVUSPR-KRWDZBQOSA-N 1 0 300.406 1.881 50 0 DDAARO O=C1NCCCC[C@@H]1Nc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065506738 184357089 /nfs/dbraw/zinc/35/70/89/184357089.db2.gz FHBKLLTXXZWSNS-JTQLQIEISA-N 1 0 317.418 1.418 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000067500381 184470060 /nfs/dbraw/zinc/47/00/60/184470060.db2.gz XODCCDQYVKHOFP-CQSZACIVSA-N 1 0 316.405 1.434 50 0 DDAARO COCC[NH+]1CCC(C(=O)N2CC[C@](C)(O)C(C)(C)C2)CC1 ZINC000091586071 285008991 /nfs/dbraw/zinc/00/89/91/285008991.db2.gz YXWPSYLJBGHLMZ-KRWDZBQOSA-N 1 0 312.454 1.354 50 0 DDAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)o1 ZINC000289607703 221099071 /nfs/dbraw/zinc/09/90/71/221099071.db2.gz VPMRABKXRWEQQD-ZDUSSCGKSA-N 1 0 314.451 1.945 50 0 DDAARO CCCN(CC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063656265 256541008 /nfs/dbraw/zinc/54/10/08/256541008.db2.gz GVOZPZGOBIJTFE-MRXNPFEDSA-N 1 0 317.433 1.636 50 0 DDAARO CN1CCN(C(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000377762374 257234817 /nfs/dbraw/zinc/23/48/17/257234817.db2.gz SBVUQVKPTYFTGP-WBVHZDCISA-N 1 0 321.465 1.184 50 0 DDAARO COC(=O)c1cn(Nc2nc(C)cc(C)[nH+]2)cc2c(=O)[nH]nc1-2 ZINC000524732720 257213961 /nfs/dbraw/zinc/21/39/61/257213961.db2.gz WUFPXJYSTUCHSC-UHFFFAOYSA-N 1 0 314.305 1.157 50 0 DDAARO CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000216505779 257242400 /nfs/dbraw/zinc/24/24/00/257242400.db2.gz PNKRZXLPCVSXLC-HNNXBMFYSA-N 1 0 315.417 1.537 50 0 DDAARO O[C@H](C[NH2+]CCn1cccn1)c1cccc(Br)c1 ZINC000042540676 285354385 /nfs/dbraw/zinc/35/43/85/285354385.db2.gz SEUISXJZDQNXJR-CYBMUJFWSA-N 1 0 310.195 1.969 50 0 DDAARO CC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000212204 406630912 /nfs/dbraw/zinc/63/09/12/406630912.db2.gz LDDRXEPKKKPWPN-UHFFFAOYSA-N 1 0 305.397 1.959 50 0 DDAARO CCCC[NH+](CCCC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O ZINC000002590101 406691157 /nfs/dbraw/zinc/69/11/57/406691157.db2.gz CNDSKHYFTTZFHX-CYBMUJFWSA-N 1 0 313.442 1.784 50 0 DDAARO COCCC[NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000002635077 406694567 /nfs/dbraw/zinc/69/45/67/406694567.db2.gz BPXHOXJQONVVBY-UHFFFAOYSA-N 1 0 314.407 1.716 50 0 DDAARO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000069349884 406700140 /nfs/dbraw/zinc/70/01/40/406700140.db2.gz OWLGKLSGMZKCDK-ZDUSSCGKSA-N 1 0 323.418 1.344 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000069628106 406744627 /nfs/dbraw/zinc/74/46/27/406744627.db2.gz IHASCZKAEVTZBV-SJORKVTESA-N 1 0 324.440 1.884 50 0 DDAARO Cc1nc2ccccc2nc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000069653983 406750383 /nfs/dbraw/zinc/75/03/83/406750383.db2.gz YNSFWSMXDYVISP-CYBMUJFWSA-N 1 0 300.406 1.437 50 0 DDAARO COCC[NH+]1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000069658927 406751291 /nfs/dbraw/zinc/75/12/91/406751291.db2.gz NUZLDBDTAHFQTG-UHFFFAOYSA-N 1 0 308.422 1.776 50 0 DDAARO CC(C)(C)CC(=O)NCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000069741814 406767058 /nfs/dbraw/zinc/76/70/58/406767058.db2.gz AXQUUODUBZESCT-UHFFFAOYSA-N 1 0 309.454 1.626 50 0 DDAARO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000069842339 406778058 /nfs/dbraw/zinc/77/80/58/406778058.db2.gz KJKZFHYQEISTRK-KOLCDFICSA-N 1 0 320.784 1.258 50 0 DDAARO O=C(C[NH+]1CCCCCC1)N1CCN(c2ccc(O)cc2)CC1 ZINC000008193095 406781748 /nfs/dbraw/zinc/78/17/48/406781748.db2.gz NDVSNJYOPYUUSF-UHFFFAOYSA-N 1 0 317.433 1.917 50 0 DDAARO Cc1nnc2n1C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000069848141 406781959 /nfs/dbraw/zinc/78/19/59/406781959.db2.gz HWYZJQGUTZGKIN-NHYWBVRUSA-N 1 0 317.368 1.104 50 0 DDAARO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000008317542 406783359 /nfs/dbraw/zinc/78/33/59/406783359.db2.gz ZILCHFOLWJVNDL-GFCCVEGCSA-N 1 0 321.396 1.370 50 0 DDAARO Cc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)on1 ZINC000069933940 406793440 /nfs/dbraw/zinc/79/34/40/406793440.db2.gz TXSFYHNRFHLVJR-CQSZACIVSA-N 1 0 322.409 1.237 50 0 DDAARO C[C@H](O)C[NH+]1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070037095 406804022 /nfs/dbraw/zinc/80/40/22/406804022.db2.gz SBPQGXURJOIZMY-HNNXBMFYSA-N 1 0 300.406 1.371 50 0 DDAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000009252754 406804290 /nfs/dbraw/zinc/80/42/90/406804290.db2.gz FEZYPNRNGYLYHF-GJZGRUSLSA-N 1 0 323.389 1.060 50 0 DDAARO CCc1nc(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)cs1 ZINC000069952096 406795924 /nfs/dbraw/zinc/79/59/24/406795924.db2.gz DWAPDPSRFQLRHN-UHFFFAOYSA-N 1 0 311.451 1.163 50 0 DDAARO O=C(c1ccc(F)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008973121 406799259 /nfs/dbraw/zinc/79/92/59/406799259.db2.gz MHBQQNWPJMYGRT-UHFFFAOYSA-N 1 0 314.364 1.826 50 0 DDAARO COC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccco2)c1 ZINC000009863764 406815993 /nfs/dbraw/zinc/81/59/93/406815993.db2.gz QBBULHWBPJODLY-CYBMUJFWSA-N 1 0 305.330 1.596 50 0 DDAARO CCCC[N@H+](CCO)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000070947614 406829603 /nfs/dbraw/zinc/82/96/03/406829603.db2.gz WGIOVSNJWPITQQ-AWEZNQCLSA-N 1 0 322.405 1.037 50 0 DDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1Br ZINC000071310266 406837065 /nfs/dbraw/zinc/83/70/65/406837065.db2.gz GQQWQVAAPICZCO-VIFPVBQESA-N 1 0 319.224 1.432 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1Cl ZINC000071397323 406838612 /nfs/dbraw/zinc/83/86/12/406838612.db2.gz GGNGXHXWFODRNV-VIFPVBQESA-N 1 0 304.799 1.379 50 0 DDAARO CC(C)[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012196062 406838800 /nfs/dbraw/zinc/83/88/00/406838800.db2.gz KHBQUDUVZSWLGG-INIZCTEOSA-N 1 0 312.360 1.816 50 0 DDAARO O=C(c1ccc(NC2CC2)nc1)N1CC[NH+](CC2CC2)CC1 ZINC000071830303 406848553 /nfs/dbraw/zinc/84/85/53/406848553.db2.gz FLGXURAGYDPMKA-UHFFFAOYSA-N 1 0 300.406 1.824 50 0 DDAARO Cc1ccc2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)[nH]c2c1 ZINC000071867402 406856427 /nfs/dbraw/zinc/85/64/27/406856427.db2.gz KHCANILYZIIECW-AWEZNQCLSA-N 1 0 314.433 1.842 50 0 DDAARO C[C@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000071897729 406864077 /nfs/dbraw/zinc/86/40/77/406864077.db2.gz WLHVVZNTBDULSK-NVXWUHKLSA-N 1 0 318.465 1.725 50 0 DDAARO O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000014954220 406877107 /nfs/dbraw/zinc/87/71/07/406877107.db2.gz MLLXVOWTYXCNBT-KRWDZBQOSA-N 1 0 324.371 1.818 50 0 DDAARO COCCN1CC[N@@H+](C2C3CC4CC(C3)CC2C4)CCC1=O ZINC000014966675 406877141 /nfs/dbraw/zinc/87/71/41/406877141.db2.gz LBGBVSSIZUZDED-UHFFFAOYSA-N 1 0 306.450 1.992 50 0 DDAARO O=c1cc(CO)oc(CN2CCCC[C@H]2c2cccnc2)c1O ZINC000020759544 406887375 /nfs/dbraw/zinc/88/73/75/406887375.db2.gz QEWDBSYNKIMLOR-AWEZNQCLSA-N 1 0 316.357 1.960 50 0 DDAARO Cc1cnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000023134246 406890670 /nfs/dbraw/zinc/89/06/70/406890670.db2.gz UCJZXUMXFURSSG-UHFFFAOYSA-N 1 0 311.389 1.789 50 0 DDAARO C[C@H](CNC(=O)N[C@H](C)c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000073897793 406897557 /nfs/dbraw/zinc/89/75/57/406897557.db2.gz IHAIYAIZLCPTME-ZIAGYGMSSA-N 1 0 307.442 1.901 50 0 DDAARO COc1ccc(COC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025562497 406899535 /nfs/dbraw/zinc/89/95/35/406899535.db2.gz NGEJZYVZVMATJU-LZWOXQAQSA-N 1 0 309.406 1.682 50 0 DDAARO NC(=O)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000026467499 406904851 /nfs/dbraw/zinc/90/48/51/406904851.db2.gz CIICWBDDQKOLNZ-UHFFFAOYSA-N 1 0 320.418 1.928 50 0 DDAARO C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000012390851 406844374 /nfs/dbraw/zinc/84/43/74/406844374.db2.gz IEGNTHCOVZKJMC-LLVKDONJSA-N 1 0 309.797 1.371 50 0 DDAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCNS(C)(=O)=O)C2)cc1 ZINC000076391413 406966762 /nfs/dbraw/zinc/96/67/62/406966762.db2.gz KDWVEJULAWKHJC-GXTWGEPZSA-N 1 0 312.435 1.422 50 0 DDAARO CCc1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCCO3)C2=O)cc1 ZINC000028640844 406918050 /nfs/dbraw/zinc/91/80/50/406918050.db2.gz RWJBRJUSOVCSJS-CABCVRRESA-N 1 0 302.374 1.650 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(=O)[nH]1 ZINC000075118498 406922642 /nfs/dbraw/zinc/92/26/42/406922642.db2.gz DEGMLWKFEAWRGP-GFCCVEGCSA-N 1 0 305.403 1.778 50 0 DDAARO CC(C)N1C[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000036397830 406980643 /nfs/dbraw/zinc/98/06/43/406980643.db2.gz SWESXULUMGEAAI-KGLIPLIRSA-N 1 0 323.462 1.724 50 0 DDAARO O=C(CN(C(=O)c1ccc(F)c(F)c1)C1CC1)N1CC[NH2+]CC1 ZINC000033032508 406958111 /nfs/dbraw/zinc/95/81/11/406958111.db2.gz IPPFAXAHFKGNOW-UHFFFAOYSA-N 1 0 323.343 1.001 50 0 DDAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)nc(N2CCOCC2)c1 ZINC000043224363 407017335 /nfs/dbraw/zinc/01/73/35/407017335.db2.gz DBYINKNPOXKNLD-UHFFFAOYSA-N 1 0 316.327 1.347 50 0 DDAARO O=C(Nc1nnc(C2CC2)s1)N1CC[NH+](CC2CC2)CC1 ZINC000044972441 407037392 /nfs/dbraw/zinc/03/73/92/407037392.db2.gz RQEGWGDSWGDNIO-UHFFFAOYSA-N 1 0 307.423 1.975 50 0 DDAARO Cc1cc(N2CCN(C(=O)CCn3cncn3)CC2)cc(C)[nH+]1 ZINC000077344286 406985351 /nfs/dbraw/zinc/98/53/51/406985351.db2.gz JYGGZFLJWXCKBD-UHFFFAOYSA-N 1 0 314.393 1.029 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H]3CCCCNC3=O)[nH]c12 ZINC000077339591 406985715 /nfs/dbraw/zinc/98/57/15/406985715.db2.gz RYRDKKCSBHATGQ-AWEZNQCLSA-N 1 0 313.401 1.903 50 0 DDAARO C[NH+](C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000041184637 407006473 /nfs/dbraw/zinc/00/64/73/407006473.db2.gz WIWWFDIDSNOYBY-UHFFFAOYSA-N 1 0 306.341 1.486 50 0 DDAARO O=C(NCc1cccs1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085466782 407102489 /nfs/dbraw/zinc/10/24/89/407102489.db2.gz LHADUXPMJDPWLS-CQSZACIVSA-N 1 0 309.435 1.346 50 0 DDAARO COc1ccc(Cl)cc1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC000085469902 407102637 /nfs/dbraw/zinc/10/26/37/407102637.db2.gz VLQUIVMCCBZVJZ-LBPRGKRZSA-N 1 0 312.797 1.751 50 0 DDAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2c1CCC2 ZINC000085877844 407106982 /nfs/dbraw/zinc/10/69/82/407106982.db2.gz IYOACTFZIFFILK-SWLSCSKDSA-N 1 0 302.422 1.893 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)Cc2ccccc2OC)CC1 ZINC000089414295 407133732 /nfs/dbraw/zinc/13/37/32/407133732.db2.gz HHJIQTFDFYTCGC-UHFFFAOYSA-N 1 0 320.433 1.712 50 0 DDAARO COc1ccc(CN2CC[NH+](CCn3ccnc3)CC2)cc1F ZINC000089457637 407134381 /nfs/dbraw/zinc/13/43/81/407134381.db2.gz MPZJADNQDFDZFE-UHFFFAOYSA-N 1 0 318.396 1.849 50 0 DDAARO CC(C)n1cc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cn1 ZINC000089582256 407140782 /nfs/dbraw/zinc/14/07/82/407140782.db2.gz MWRLERVNYHMURV-NSHDSACASA-N 1 0 302.444 1.442 50 0 DDAARO O[C@@H](Cn1cccn1)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531929 407141141 /nfs/dbraw/zinc/14/11/41/407141141.db2.gz CGCPYOPJRUHITB-QZTJIDSGSA-N 1 0 315.417 1.690 50 0 DDAARO OCCC1([NH2+]Cc2ccc(-n3cccn3)cc2)CCOCC1 ZINC000089885054 407155552 /nfs/dbraw/zinc/15/55/52/407155552.db2.gz SEYYHWLWRUBIRE-UHFFFAOYSA-N 1 0 301.390 1.894 50 0 DDAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC000089920172 407158191 /nfs/dbraw/zinc/15/81/91/407158191.db2.gz QMUSPZADJJQRRG-UKRRQHHQSA-N 1 0 320.499 1.435 50 0 DDAARO COc1ccc(OC)c(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000089937697 407159474 /nfs/dbraw/zinc/15/94/74/407159474.db2.gz JASKZYHHSZCAON-OQHXTRMZSA-N 1 0 304.390 1.880 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089937716 407159496 /nfs/dbraw/zinc/15/94/96/407159496.db2.gz QYAAEZUIMSTQSY-PPGNKHEKSA-N 1 0 301.390 1.222 50 0 DDAARO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000052961023 407160670 /nfs/dbraw/zinc/16/06/70/407160670.db2.gz VOHWJMNVCABTHU-NWDGAFQWSA-N 1 0 308.382 1.288 50 0 DDAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000054192892 407180305 /nfs/dbraw/zinc/18/03/05/407180305.db2.gz CTXRBEQJLKJVIZ-INIZCTEOSA-N 1 0 301.390 1.571 50 0 DDAARO CC(=O)c1ccc(-c2ncnc(N3CC[NH+](C)CC3)c2N)cc1 ZINC000096282122 407258038 /nfs/dbraw/zinc/25/80/38/407258038.db2.gz VRCWBOPWJKXPMF-UHFFFAOYSA-N 1 0 311.389 1.680 50 0 DDAARO O=C(NCCCn1cncn1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055183366 407196813 /nfs/dbraw/zinc/19/68/13/407196813.db2.gz MMPLXFVYUDQCLN-CQSZACIVSA-N 1 0 317.393 1.290 50 0 DDAARO CC(C)[NH+](CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000055291421 407200299 /nfs/dbraw/zinc/20/02/99/407200299.db2.gz GKPBOUBJULFAOC-KBPBESRZSA-N 1 0 321.487 1.049 50 0 DDAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c[nH]c(=O)cn2)s1 ZINC000055327230 407200462 /nfs/dbraw/zinc/20/04/62/407200462.db2.gz OVTSKMKXIZBPQO-UHFFFAOYSA-N 1 0 320.418 1.756 50 0 DDAARO Cn1ccnc1[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055340884 407201485 /nfs/dbraw/zinc/20/14/85/407201485.db2.gz AXAKBHKCXWNEHT-CQSZACIVSA-N 1 0 315.352 1.773 50 0 DDAARO Cc1cc(C(=O)OC2CC[NH+](CC(=O)N(C)C)CC2)c(C)o1 ZINC000096410819 407261489 /nfs/dbraw/zinc/26/14/89/407261489.db2.gz RAWXSOJHCXGXKX-UHFFFAOYSA-N 1 0 308.378 1.606 50 0 DDAARO CC(=O)NCCNC(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000055568716 407205329 /nfs/dbraw/zinc/20/53/29/407205329.db2.gz ZUWVSJKBFDZVSN-GFCCVEGCSA-N 1 0 307.394 1.692 50 0 DDAARO CC(=O)c1cnc(N2CCC[C@@](O)(C[NH+](C)C)CC2)nc1C ZINC000095355282 407208311 /nfs/dbraw/zinc/20/83/11/407208311.db2.gz VZODOJOHODKAPZ-INIZCTEOSA-N 1 0 306.410 1.271 50 0 DDAARO CCn1c(C)nnc1SCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000095375189 407210689 /nfs/dbraw/zinc/21/06/89/407210689.db2.gz OVLHNVGALXGWTE-GFCCVEGCSA-N 1 0 321.454 1.457 50 0 DDAARO CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C[C@@H]1[NH3+] ZINC000095378086 407210888 /nfs/dbraw/zinc/21/08/88/407210888.db2.gz WHNNWLMQSROWDM-QWRGUYRKSA-N 1 0 324.406 1.418 50 0 DDAARO Cc1nc(C2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)no1 ZINC000095426498 407213247 /nfs/dbraw/zinc/21/32/47/407213247.db2.gz WTCFUVZPKHFHBZ-HNNXBMFYSA-N 1 0 314.389 1.654 50 0 DDAARO Cn1ccnc1SCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC000095526039 407214676 /nfs/dbraw/zinc/21/46/76/407214676.db2.gz WSKGZJJUEQXFOE-UHFFFAOYSA-N 1 0 318.450 1.561 50 0 DDAARO Cc1nc(CN2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cs1 ZINC000095947203 407215786 /nfs/dbraw/zinc/21/57/86/407215786.db2.gz VTGPSOJRFVYNIR-INIZCTEOSA-N 1 0 322.478 1.485 50 0 DDAARO CC(C)[C@H](CNC(=O)c1cn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000058216899 407218995 /nfs/dbraw/zinc/21/89/95/407218995.db2.gz JZCXPOPOEGRZNY-INIZCTEOSA-N 1 0 313.405 1.617 50 0 DDAARO COc1cc(OC)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000061650302 407229864 /nfs/dbraw/zinc/22/98/64/407229864.db2.gz BIOHRIZMSLPTGM-BBRMVZONSA-N 1 0 320.389 1.297 50 0 DDAARO NC(=O)c1ccnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000065371137 407242874 /nfs/dbraw/zinc/24/28/74/407242874.db2.gz NRMDKNPDDAYQRS-UHFFFAOYSA-N 1 0 322.412 1.470 50 0 DDAARO Nc1cc(N2CC[NH+](CCCc3ccccc3)CC2)nc(N)n1 ZINC000065370581 407243621 /nfs/dbraw/zinc/24/36/21/407243621.db2.gz SRTCCOOPZPRSEO-UHFFFAOYSA-N 1 0 312.421 1.396 50 0 DDAARO CCc1cnc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000096439862 407266346 /nfs/dbraw/zinc/26/63/46/407266346.db2.gz QVGMMZXSULKWTQ-NEPJUHHUSA-N 1 0 324.450 1.368 50 0 DDAARO CSCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000096459204 407270012 /nfs/dbraw/zinc/27/00/12/407270012.db2.gz MWSWMOSNALVNLC-UHFFFAOYSA-N 1 0 300.468 1.748 50 0 DDAARO [NH3+][C@H](CNS(=O)(=O)c1cccc2nonc21)c1ccccc1 ZINC000096483355 407271875 /nfs/dbraw/zinc/27/18/75/407271875.db2.gz BWBGUHOUGHXXHX-LLVKDONJSA-N 1 0 318.358 1.201 50 0 DDAARO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000096494785 407273632 /nfs/dbraw/zinc/27/36/32/407273632.db2.gz VCODESWUPGISND-UHFFFAOYSA-N 1 0 311.451 1.621 50 0 DDAARO Cc1nc2c(c(NCCC(=O)N3CCC(C)CC3)n1)CC[NH2+]C2 ZINC000067458564 407273928 /nfs/dbraw/zinc/27/39/28/407273928.db2.gz AFGWFMYSQLJNEM-UHFFFAOYSA-N 1 0 317.437 1.491 50 0 DDAARO C[C@H]1CC([NH2+]CCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 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c1ccc(CC[N@@H+]2CCCO[C@H](CN3CCOCC3)C2)cc1 ZINC000097155852 407282791 /nfs/dbraw/zinc/28/27/91/407282791.db2.gz NVWKZJKTMWIPFP-SFHVURJKSA-N 1 0 304.434 1.652 50 0 DDAARO CN(Cc1[nH]nc2c1CCC2)c1nc(CC[NH3+])nc2ccccc21 ZINC000067755258 407283018 /nfs/dbraw/zinc/28/30/18/407283018.db2.gz ZXKQNTXSVJSDCT-UHFFFAOYSA-N 1 0 322.416 1.979 50 0 DDAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccon1 ZINC000097237837 407289627 /nfs/dbraw/zinc/28/96/27/407289627.db2.gz XZAWOOPGFPZMNR-CQSZACIVSA-N 1 0 301.346 1.171 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC000097376362 407292501 /nfs/dbraw/zinc/29/25/01/407292501.db2.gz PQSGLKHZDJGCAZ-UHFFFAOYSA-N 1 0 315.377 1.339 50 0 DDAARO O=C(NCc1ccc(O)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097831110 407302943 /nfs/dbraw/zinc/30/29/43/407302943.db2.gz RRHHEVMWKYSXFA-UHFFFAOYSA-N 1 0 318.417 1.899 50 0 DDAARO Cc1nc(C)n(C[C@H]2CN([C@H](C)c3cccnc3)CCO2)n1 ZINC000106908183 407366444 /nfs/dbraw/zinc/36/64/44/407366444.db2.gz QYHGLTUSDFTXIP-MLGOLLRUSA-N 1 0 301.394 1.752 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C2CCCCC2)C[C@@H](C)O1 ZINC000107352538 407373046 /nfs/dbraw/zinc/37/30/46/407373046.db2.gz RCHJQXHOFKRECN-SRABZTEZSA-N 1 0 324.465 1.638 50 0 DDAARO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(=O)[nH]1 ZINC000253630185 407464339 /nfs/dbraw/zinc/46/43/39/407464339.db2.gz NKAXCMGPOIPZAS-GJZGRUSLSA-N 1 0 319.405 1.285 50 0 DDAARO CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000257187864 407484380 /nfs/dbraw/zinc/48/43/80/407484380.db2.gz COOSTSZAMXXOMZ-HNNXBMFYSA-N 1 0 321.465 1.768 50 0 DDAARO COc1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000225360953 407581789 /nfs/dbraw/zinc/58/17/89/407581789.db2.gz FTERCYIPCSBBDZ-OLZOCXBDSA-N 1 0 307.394 1.614 50 0 DDAARO Cc1c[nH+]ccc1NCCNC(=O)Cn1nc2ccccc2n1 ZINC000218872931 407526368 /nfs/dbraw/zinc/52/63/68/407526368.db2.gz OWRABCZWHXVRGN-UHFFFAOYSA-N 1 0 310.361 1.363 50 0 DDAARO Cc1cc(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cc[nH+]1 ZINC000219977513 407534005 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COc1cc(CCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000153465291 407829956 /nfs/dbraw/zinc/82/99/56/407829956.db2.gz TYYLWKYFSLCUMG-STQMWFEESA-N 1 0 306.406 1.845 50 0 DDAARO C[C@H]([NH3+])C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1 ZINC000237626619 407831493 /nfs/dbraw/zinc/83/14/93/407831493.db2.gz SABTXAKPHUSVDV-ZDUSSCGKSA-N 1 0 300.406 1.825 50 0 DDAARO Cc1cc(N2CCN(CCn3cc(Cl)cn3)CC2)nc(N)[nH+]1 ZINC000240163617 407906373 /nfs/dbraw/zinc/90/63/73/407906373.db2.gz JCNPTGOQEJUZQJ-UHFFFAOYSA-N 1 0 321.816 1.039 50 0 DDAARO CCc1nccn1CC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000244633580 407928041 /nfs/dbraw/zinc/92/80/41/407928041.db2.gz GFJYZLKZPQYEQF-MRXNPFEDSA-N 1 0 312.417 1.618 50 0 DDAARO CN(Cc1cc(C2CC2)on1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244673721 407932579 /nfs/dbraw/zinc/93/25/79/407932579.db2.gz HUKAEXXASBWRGN-HAQNSBGRSA-N 1 0 316.409 1.517 50 0 DDAARO CN(Cc1nc(C2CC2)no1)C(=O)CSCC[NH+]1CCCC1 ZINC000244795519 407938486 /nfs/dbraw/zinc/93/84/86/407938486.db2.gz 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C[C@@H]1CN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C[C@H](C)[NH2+]1 ZINC000247450420 408473001 /nfs/dbraw/zinc/47/30/01/408473001.db2.gz ZEMMWYSOKYKASV-OUAUKWLOSA-N 1 0 310.423 1.056 50 0 DDAARO C[N@@H+]1CCC[C@H](CSc2n[nH]c(=O)n2C[C@H]2CCCO2)C1 ZINC000248123186 408535896 /nfs/dbraw/zinc/53/58/96/408535896.db2.gz KVNVRIHDRGBCNI-NWDGAFQWSA-N 1 0 312.439 1.184 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000195138872 408812893 /nfs/dbraw/zinc/81/28/93/408812893.db2.gz RTPCVVIMAQEJJU-HNNXBMFYSA-N 1 0 317.433 1.481 50 0 DDAARO CC(C)(C)c1ncc(C[NH2+]CC2(C(N)=O)CCOCC2)cn1 ZINC000284246184 409304274 /nfs/dbraw/zinc/30/42/74/409304274.db2.gz FICHAMXLSKHNAR-UHFFFAOYSA-N 1 0 306.410 1.146 50 0 DDAARO COc1c(C)cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000285588652 409498751 /nfs/dbraw/zinc/49/87/51/409498751.db2.gz BVQXZCAETNQCDY-CVEARBPZSA-N 1 0 318.417 1.857 50 0 DDAARO Cc1csc([C@@H](C)CNC(=O)CN(C)C2CC[NH2+]CC2)n1 ZINC000299765418 410610526 /nfs/dbraw/zinc/61/05/26/410610526.db2.gz AQNHMGOFORBXLE-NSHDSACASA-N 1 0 310.467 1.355 50 0 DDAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cn[nH]n1 ZINC000299775934 410621215 /nfs/dbraw/zinc/62/12/15/410621215.db2.gz MLDYEJYMERNYHX-HNNXBMFYSA-N 1 0 313.405 1.489 50 0 DDAARO Cc1cn2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2n1 ZINC000299781979 410624795 /nfs/dbraw/zinc/62/47/95/410624795.db2.gz FHNPZZYYGFYUAO-AWEZNQCLSA-N 1 0 316.405 1.219 50 0 DDAARO CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@H]([NH3+])C1)O[C@H](C)C2 ZINC000132652407 196273318 /nfs/dbraw/zinc/27/33/18/196273318.db2.gz KQXRPBLZELGZGT-WNTXTPNSSA-N 1 0 316.401 1.982 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000132893152 196293125 /nfs/dbraw/zinc/29/31/25/196293125.db2.gz PUPOIXQPOLCZNY-SNVBAGLBSA-N 1 0 303.391 1.424 50 0 DDAARO CCOc1c(=O)c(=O)c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000102514514 418495126 /nfs/dbraw/zinc/49/51/26/418495126.db2.gz VSRXQYRLGBUHTI-UHFFFAOYSA-N 1 0 314.385 1.758 50 0 DDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000048275514 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878183173 /nfs/dbraw/zinc/18/31/73/878183173.db2.gz AZLVEHBZVAJTEO-JKSUJKDBSA-N 1 0 322.449 1.838 50 0 DDAARO COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074689357 185009388 /nfs/dbraw/zinc/00/93/88/185009388.db2.gz WTEKPWUHOJTPBI-GDBMZVCRSA-N 1 0 318.417 1.966 50 0 DDAARO OC1(C[N@@H+]2CCO[C@@H](CNc3cccnn3)C2)CCCCC1 ZINC000078899946 185125308 /nfs/dbraw/zinc/12/53/08/185125308.db2.gz UKIBVTNKKMUFJP-AWEZNQCLSA-N 1 0 306.410 1.285 50 0 DDAARO CCOC[C@H](O)C[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000079099909 185158408 /nfs/dbraw/zinc/15/84/08/185158408.db2.gz QVSBGGJIOTXFKR-DOTOQJQBSA-N 1 0 322.449 1.771 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)C2 ZINC000079323243 185165160 /nfs/dbraw/zinc/16/51/60/185165160.db2.gz QAMQHDZULQGTJB-KGLIPLIRSA-N 1 0 304.390 1.457 50 0 DDAARO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000083212789 185219833 /nfs/dbraw/zinc/21/98/33/185219833.db2.gz CGFTXEJUVQEFSJ-CQSZACIVSA-N 1 0 314.437 1.973 50 0 DDAARO CC[C@@H](NC(=O)Cc1cccc(OCC[NH3+])c1)c1ccnn1C ZINC000426550632 529602364 /nfs/dbraw/zinc/60/23/64/529602364.db2.gz OFFZHVIVCYCTHE-OAHLLOKOSA-N 1 0 316.405 1.568 50 0 DDAARO CNC(=O)NCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000090057246 185280149 /nfs/dbraw/zinc/28/01/49/185280149.db2.gz FOHHSXGJOBECFP-CQSZACIVSA-N 1 0 318.421 1.038 50 0 DDAARO CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC000082120827 192359783 /nfs/dbraw/zinc/35/97/83/192359783.db2.gz WQNJSOZOEKLCIA-CYBMUJFWSA-N 1 0 306.410 1.152 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)C1 ZINC000299738701 529992705 /nfs/dbraw/zinc/99/27/05/529992705.db2.gz FKQBJSLRXWANGG-YWPYICTPSA-N 1 0 321.446 1.335 50 0 DDAARO CCn1ncc(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087127 539556588 /nfs/dbraw/zinc/55/65/88/539556588.db2.gz POSCPHVBCZLHGK-WMLDXEAASA-N 1 0 314.437 1.693 50 0 DDAARO O=C(CN1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071712213 191010836 /nfs/dbraw/zinc/01/08/36/191010836.db2.gz VKAAUFUIWZQKGV-HNNXBMFYSA-N 1 0 323.824 1.145 50 0 DDAARO Cc1cc(-n2cc(C(=O)N3CCC([NH3+])CC3)nn2)ccc1F ZINC000071768199 191028777 /nfs/dbraw/zinc/02/87/77/191028777.db2.gz ULVJXERTHUAWDN-UHFFFAOYSA-N 1 0 303.341 1.278 50 0 DDAARO Cc1cc2cccc(C(=O)NC[C@]3(O)CCC[NH2+]CC3)c2o1 ZINC000072134749 191046147 /nfs/dbraw/zinc/04/61/47/191046147.db2.gz BPYSHBUAWOKYBE-KRWDZBQOSA-N 1 0 302.374 1.976 50 0 DDAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3cc(-c4ccccn4)no3)C[C@H]2C[C@@H]1O ZINC000072153044 191056962 /nfs/dbraw/zinc/05/69/62/191056962.db2.gz NLIBKACQVLLFHV-PRRDBKRISA-N 1 0 315.373 1.300 50 0 DDAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072154213 191059830 /nfs/dbraw/zinc/05/98/30/191059830.db2.gz DXRFUYOUIYXNAK-OAHLLOKOSA-N 1 0 306.454 1.912 50 0 DDAARO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](CCCn1cccc1)CC2 ZINC000072166217 191065880 /nfs/dbraw/zinc/06/58/80/191065880.db2.gz JZMMEARTKFTAGH-OAHLLOKOSA-N 1 0 305.422 1.749 50 0 DDAARO CN1C(=O)CC[C@H](C(=O)NCCC[NH+](C)C)[C@H]1c1cccs1 ZINC000072238135 191081914 /nfs/dbraw/zinc/08/19/14/191081914.db2.gz WAJIQVDVANCEDP-WFASDCNBSA-N 1 0 323.462 1.726 50 0 DDAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000072281262 191101579 /nfs/dbraw/zinc/10/15/79/191101579.db2.gz HEBBPYYUKPMRGP-JQWIXIFHSA-N 1 0 304.398 1.239 50 0 DDAARO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000225597744 186281832 /nfs/dbraw/zinc/28/18/32/186281832.db2.gz ISDITTIMAWELCX-CABCVRRESA-N 1 0 318.483 1.330 50 0 DDAARO COc1cccc(N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000237461369 186293049 /nfs/dbraw/zinc/29/30/49/186293049.db2.gz FXCSGMHBMQDUFJ-KBPBESRZSA-N 1 0 303.406 1.471 50 0 DDAARO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC1([NH3+])CCC1 ZINC000237511220 186299506 /nfs/dbraw/zinc/29/95/06/186299506.db2.gz PPBADTVLZOKZOT-OAHLLOKOSA-N 1 0 301.434 1.991 50 0 DDAARO Cn1ccnc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000072314842 191121072 /nfs/dbraw/zinc/12/10/72/191121072.db2.gz UCOBNSDDKVGIQB-CYBMUJFWSA-N 1 0 306.435 1.645 50 0 DDAARO [NH3+]CC[C@@H]1CN(c2cc(-c3ccccc3)nc3ccnn32)CCO1 ZINC000072420354 191156789 /nfs/dbraw/zinc/15/67/89/191156789.db2.gz AWURRTMJIBMUAF-OAHLLOKOSA-N 1 0 323.400 1.950 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618243 352171052 /nfs/dbraw/zinc/17/10/52/352171052.db2.gz NQDIGCNMTDLFPU-LLVKDONJSA-N 1 0 304.419 1.955 50 0 DDAARO Cc1cc(C)c(C(=O)NCC2([NH+](C)C)CCCCC2)c(=O)[nH]1 ZINC000073486321 353254112 /nfs/dbraw/zinc/25/41/12/353254112.db2.gz RHOWPOPGWOHDKN-UHFFFAOYSA-N 1 0 305.422 1.986 50 0 DDAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ncccn2)C1 ZINC000075128162 353349475 /nfs/dbraw/zinc/34/94/75/353349475.db2.gz YRSCVQZXQMWERE-CQSZACIVSA-N 1 0 320.441 1.308 50 0 DDAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCOc3ccccc3)C2)C1=O ZINC000084597362 353724827 /nfs/dbraw/zinc/72/48/27/353724827.db2.gz MVMJOJYMGYHKBH-KRWDZBQOSA-N 1 0 317.389 1.470 50 0 DDAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000084714843 353726996 /nfs/dbraw/zinc/72/69/96/353726996.db2.gz HASIHAPNYOEQJH-MLGOLLRUSA-N 1 0 315.417 1.522 50 0 DDAARO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCc3cccs3)C2)C1=O ZINC000089914261 353782983 /nfs/dbraw/zinc/78/29/83/353782983.db2.gz SFKQYWVWCCSJEV-BLLLJJGKSA-N 1 0 321.446 1.943 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000106929834 353943479 /nfs/dbraw/zinc/94/34/79/353943479.db2.gz UCUGCTTVXFMABX-CZUORRHYSA-N 1 0 320.433 1.829 50 0 DDAARO CC(C)C(=O)N1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000161611330 354243362 /nfs/dbraw/zinc/24/33/62/354243362.db2.gz GOSWGLIYTPLJBI-JALIKCBVSA-N 1 0 307.438 1.280 50 0 DDAARO COCC[NH2+]CC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC000195543614 354296881 /nfs/dbraw/zinc/29/68/81/354296881.db2.gz LOSDFJPTRQPZKR-ZDUSSCGKSA-N 1 0 302.378 1.667 50 0 DDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H](C)O)CC2)cc1 ZINC000225497241 354317889 /nfs/dbraw/zinc/31/78/89/354317889.db2.gz XKHSMXDCACOSKE-OAHLLOKOSA-N 1 0 319.449 1.887 50 0 DDAARO Cn1cccc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000004488586 181114428 /nfs/dbraw/zinc/11/44/28/181114428.db2.gz XFZHSFSODZABEV-UHFFFAOYSA-N 1 0 314.418 1.883 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000004700657 181139130 /nfs/dbraw/zinc/13/91/30/181139130.db2.gz MFGIWXMTNSWQOD-AWEZNQCLSA-N 1 0 323.824 1.557 50 0 DDAARO COCC1(C(=O)N2CCC([N@H+](C)CCN(C)C)CC2)CCC1 ZINC000584902673 354801689 /nfs/dbraw/zinc/80/16/89/354801689.db2.gz DUWYKIQMHFMDRN-UHFFFAOYSA-N 1 0 311.470 1.288 50 0 DDAARO [NH3+]CCCCCC[NH2+][C@@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000005257653 181223002 /nfs/dbraw/zinc/22/30/02/181223002.db2.gz DYRPSFNSKOIUPQ-AWEZNQCLSA-N 1 0 307.394 1.577 50 0 DDAARO COc1ccc2c(c1)[nH]c1c2ncn(CCC[NH+](C)C)c1=O ZINC000005341747 181231819 /nfs/dbraw/zinc/23/18/19/181231819.db2.gz OFKOMNNCOPUWKV-UHFFFAOYSA-N 1 0 300.362 1.838 50 0 DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237183980 202180751 /nfs/dbraw/zinc/18/07/51/202180751.db2.gz NPCNIKNFMRFMJD-GFCCVEGCSA-N 1 0 307.369 1.092 50 0 DDAARO CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237247387 202204096 /nfs/dbraw/zinc/20/40/96/202204096.db2.gz AJNCQHKCRKUIGC-HNNXBMFYSA-N 1 0 323.356 1.790 50 0 DDAARO NC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000241653302 283292672 /nfs/dbraw/zinc/29/26/72/283292672.db2.gz PTZMOLPYDFXWKU-WFASDCNBSA-N 1 0 301.390 1.527 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000237317330 202227701 /nfs/dbraw/zinc/22/77/01/202227701.db2.gz LSGLZNNPYOPSGX-LLVKDONJSA-N 1 0 318.389 1.893 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2sccc2OC)C1 ZINC000237320925 202229794 /nfs/dbraw/zinc/22/97/94/202229794.db2.gz JBPSERIBJHIPRY-SNVBAGLBSA-N 1 0 304.437 1.377 50 0 DDAARO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000067230546 283350532 /nfs/dbraw/zinc/35/05/32/283350532.db2.gz IDBQMLQPFSYUGO-CQSZACIVSA-N 1 0 319.405 1.684 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237548557 202279680 /nfs/dbraw/zinc/27/96/80/202279680.db2.gz XDLXVNCQWAKWKA-HBNTYKKESA-N 1 0 321.343 1.126 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000237748237 202346222 /nfs/dbraw/zinc/34/62/22/202346222.db2.gz CBQIXFBKZCLAKW-LLVKDONJSA-N 1 0 302.827 1.926 50 0 DDAARO Cn1cc(C(=O)N2CCC[NH2+]CC2)c(-c2ccc(F)cc2F)n1 ZINC000237881510 202377555 /nfs/dbraw/zinc/37/75/55/202377555.db2.gz BDKWWNLEKKMNBP-UHFFFAOYSA-N 1 0 320.343 1.801 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000237927832 202392902 /nfs/dbraw/zinc/39/29/02/202392902.db2.gz VNVINRLJEJWGLV-CYBMUJFWSA-N 1 0 322.430 1.576 50 0 DDAARO C=Cn1cc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000194374918 201213768 /nfs/dbraw/zinc/21/37/68/201213768.db2.gz YRBKYZYKMIJNEH-DLBZAZTESA-N 1 0 304.438 1.841 50 0 DDAARO CCc1cccc(OC[C@@H](O)C[NH+](CCOC)CCOC)c1 ZINC000006552545 181353214 /nfs/dbraw/zinc/35/32/14/181353214.db2.gz KKYYGSMEKXEFPH-INIZCTEOSA-N 1 0 311.422 1.584 50 0 DDAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC(N)=O)CC1 ZINC000091282456 193029941 /nfs/dbraw/zinc/02/99/41/193029941.db2.gz PXFLJOLNGFCWJM-GFCCVEGCSA-N 1 0 309.841 1.810 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCC(=O)NC[C@@H]3C)[nH]c12 ZINC000091434711 193054902 /nfs/dbraw/zinc/05/49/02/193054902.db2.gz MHWZAADBHDAZEL-ZDUSSCGKSA-N 1 0 313.401 1.855 50 0 DDAARO COc1ccc(F)cc1C(=O)N[C@H]1C[N@H+](CCO)C[C@@H]1C1CC1 ZINC000091636906 193083413 /nfs/dbraw/zinc/08/34/13/193083413.db2.gz HIBUPKDDVISSGL-CABCVRRESA-N 1 0 322.380 1.267 50 0 DDAARO Cc1nonc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092022385 193142912 /nfs/dbraw/zinc/14/29/12/193142912.db2.gz CHMHOWDWQHFCDG-QGZVFWFLSA-N 1 0 318.421 1.993 50 0 DDAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)CCc2ccncc2)C1 ZINC000091943258 193130118 /nfs/dbraw/zinc/13/01/18/193130118.db2.gz PEVORHGBMFVWKF-HZPDHXFCSA-N 1 0 305.422 1.033 50 0 DDAARO C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000069509772 296092556 /nfs/dbraw/zinc/09/25/56/296092556.db2.gz OVUXRQWZCLRQMW-GFCCVEGCSA-N 1 0 313.442 1.748 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)CCOC)cc2)CC1 ZINC000096418671 193629876 /nfs/dbraw/zinc/62/98/76/193629876.db2.gz ZCCXVLVDGPBXQL-OAHLLOKOSA-N 1 0 319.449 1.983 50 0 DDAARO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cccc1N1CCNC1=O ZINC000157612549 291533209 /nfs/dbraw/zinc/53/32/09/291533209.db2.gz WOUXFUJDWOWVOB-OCCSQVGLSA-N 1 0 316.405 1.382 50 0 DDAARO C[NH+]1CCC(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 ZINC000020616868 182238987 /nfs/dbraw/zinc/23/89/87/182238987.db2.gz CZHOJIUMAKVBID-OAHLLOKOSA-N 1 0 305.353 1.529 50 0 DDAARO Cc1cc(C)cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000022998991 182344415 /nfs/dbraw/zinc/34/44/15/182344415.db2.gz MRSFAXXEICIKBB-UHFFFAOYSA-N 1 0 303.406 1.700 50 0 DDAARO C[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)n1cncn1 ZINC000040509348 183085969 /nfs/dbraw/zinc/08/59/69/183085969.db2.gz PGFNDEBFYRTKTM-AWEZNQCLSA-N 1 0 313.405 1.404 50 0 DDAARO Cc1ccn2cc(C(=O)NCCCC[NH+]3CCOCC3)nc2c1 ZINC000040541028 183097851 /nfs/dbraw/zinc/09/78/51/183097851.db2.gz ZPMSETGGTGFWRA-UHFFFAOYSA-N 1 0 316.405 1.485 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000040596737 183107458 /nfs/dbraw/zinc/10/74/58/183107458.db2.gz HLWCYPMLQQNSNZ-JTQLQIEISA-N 1 0 304.362 1.585 50 0 DDAARO CC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000333883011 249138078 /nfs/dbraw/zinc/13/80/78/249138078.db2.gz UZYDKLPSTHGEED-HNNXBMFYSA-N 1 0 304.390 1.948 50 0 DDAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169247 /nfs/dbraw/zinc/16/92/47/183169247.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 1 0 321.440 1.400 50 0 DDAARO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1nncn1C ZINC000043780522 183385679 /nfs/dbraw/zinc/38/56/79/183385679.db2.gz WRMMEMNRYWPSAR-CYBMUJFWSA-N 1 0 322.457 1.830 50 0 DDAARO COCc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)o1 ZINC000104422169 194006100 /nfs/dbraw/zinc/00/61/00/194006100.db2.gz VIIMKMQZJRQIQT-OAHLLOKOSA-N 1 0 310.438 1.951 50 0 DDAARO C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO ZINC000104356989 194001409 /nfs/dbraw/zinc/00/14/09/194001409.db2.gz UJOLATVATHJIQH-QGZVFWFLSA-N 1 0 318.396 1.510 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000050246792 183779230 /nfs/dbraw/zinc/77/92/30/183779230.db2.gz WWAKUIOPEZMGJO-SECBINFHSA-N 1 0 324.324 1.555 50 0 DDAARO COc1ccc(CCNC(=[NH2+])NCc2ccnc(OC)c2)cc1 ZINC000058184842 184085301 /nfs/dbraw/zinc/08/53/01/184085301.db2.gz CTMLNURARQGIGU-UHFFFAOYSA-N 1 0 314.389 1.955 50 0 DDAARO Cc1cccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000058393215 184111880 /nfs/dbraw/zinc/11/18/80/184111880.db2.gz MMXSFXBEUQKGLS-GDBMZVCRSA-N 1 0 304.390 1.353 50 0 DDAARO CCC[NH+]1CCC(NC(=O)c2sccc2-n2cnnn2)CC1 ZINC000058367328 184109192 /nfs/dbraw/zinc/10/91/92/184109192.db2.gz SSVYBPWDUMLVFN-UHFFFAOYSA-N 1 0 320.422 1.328 50 0 DDAARO COc1c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(C)nn1C ZINC000058314906 184104737 /nfs/dbraw/zinc/10/47/37/184104737.db2.gz VINVTSQFLXEUFE-CYBMUJFWSA-N 1 0 323.368 1.406 50 0 DDAARO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058405672 184113566 /nfs/dbraw/zinc/11/35/66/184113566.db2.gz TYSNNUHQRNFXMI-GDBMZVCRSA-N 1 0 304.390 1.678 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCCCn1ccccc1=O ZINC000058421081 184115863 /nfs/dbraw/zinc/11/58/63/184115863.db2.gz HELLXVONLYZSCS-UHFFFAOYSA-N 1 0 317.437 1.526 50 0 DDAARO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000063178854 184276644 /nfs/dbraw/zinc/27/66/44/184276644.db2.gz HXFYHLOEYUAPEK-SECBINFHSA-N 1 0 315.826 1.329 50 0 DDAARO COc1c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000065475075 184351958 /nfs/dbraw/zinc/35/19/58/184351958.db2.gz KYBMQBBIHJZETK-UPJWGTAASA-N 1 0 310.442 1.324 50 0 DDAARO Cc1ccc(NC(=O)C[NH2+]CCN2CCCC[C@H]2CO)c(C)c1 ZINC000065398912 184336446 /nfs/dbraw/zinc/33/64/46/184336446.db2.gz CFNIQFLCJQOXDS-INIZCTEOSA-N 1 0 319.449 1.678 50 0 DDAARO CC[C@@H](C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000065564374 184366641 /nfs/dbraw/zinc/36/66/41/184366641.db2.gz SPNKJYSLHOHGDP-CYBMUJFWSA-N 1 0 321.469 1.533 50 0 DDAARO O=C1OCC2(CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000244718754 284946562 /nfs/dbraw/zinc/94/65/62/284946562.db2.gz LQGJFOGSSSETTG-GFCCVEGCSA-N 1 0 305.330 1.828 50 0 DDAARO O=S1(=O)CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000190990038 285062728 /nfs/dbraw/zinc/06/27/28/285062728.db2.gz VOHWWYDNYBEYEF-HNNXBMFYSA-N 1 0 312.479 1.538 50 0 DDAARO CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000155264787 197037826 /nfs/dbraw/zinc/03/78/26/197037826.db2.gz GAEIQFXTXNFDGU-WMLDXEAASA-N 1 0 315.417 1.076 50 0 DDAARO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1-c1ccnn1C ZINC000351751364 257235856 /nfs/dbraw/zinc/23/58/56/257235856.db2.gz IHUHEEXXPVQFDS-CYBMUJFWSA-N 1 0 300.406 1.901 50 0 DDAARO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000156129581 257239594 /nfs/dbraw/zinc/23/95/94/257239594.db2.gz MICKONACRIUAJY-MNOVXSKESA-N 1 0 314.407 1.204 50 0 DDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnc2sccn2c1=O ZINC000237452001 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CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2cccnc2)no1 ZINC000012322231 406840943 /nfs/dbraw/zinc/84/09/43/406840943.db2.gz JEWNOBKEBJIEQS-LBPRGKRZSA-N 1 0 301.350 1.346 50 0 DDAARO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038358 406908015 /nfs/dbraw/zinc/90/80/15/406908015.db2.gz MHEJJZMCEGBFSX-NEPJUHHUSA-N 1 0 319.405 1.925 50 0 DDAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]n1 ZINC000012446530 406845315 /nfs/dbraw/zinc/84/53/15/406845315.db2.gz WBAOZAOTQWWJEV-MRXNPFEDSA-N 1 0 308.426 1.207 50 0 DDAARO CCc1ccc(N2C[C@@H](C(=O)NCC[NH+](C)C)CC2=O)cc1 ZINC000034916347 406965542 /nfs/dbraw/zinc/96/55/42/406965542.db2.gz WHLSQARWYVXUOA-AWEZNQCLSA-N 1 0 303.406 1.280 50 0 DDAARO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC000035421543 406972390 /nfs/dbraw/zinc/97/23/90/406972390.db2.gz QBTMNLNXFXRUFF-UHFFFAOYSA-N 1 0 317.433 1.668 50 0 DDAARO Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000075123974 406922465 /nfs/dbraw/zinc/92/24/65/406922465.db2.gz 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C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)c2ccc(F)cc2O1 ZINC000237580449 202292265 /nfs/dbraw/zinc/29/22/65/202292265.db2.gz KSHHHVYHAQERCW-DGCLKSJQSA-N 1 0 308.353 1.708 50 0 DDAARO Cc1nc(COc2ccccc2C(=O)N[C@H]2CCC[NH2+]C2)no1 ZINC000237742194 202344862 /nfs/dbraw/zinc/34/48/62/202344862.db2.gz UKQTVRXTDIBKHQ-LBPRGKRZSA-N 1 0 316.361 1.439 50 0 DDAARO [NH3+]C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000237852506 202370915 /nfs/dbraw/zinc/37/09/15/202370915.db2.gz OZVGSZWIIYIVPC-UHFFFAOYSA-N 1 0 306.316 1.714 50 0 DDAARO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnc2sccn2c1=O ZINC000237993175 202414114 /nfs/dbraw/zinc/41/41/14/202414114.db2.gz OSEFVVWWIXJBDF-KOLCDFICSA-N 1 0 306.391 1.003 50 0 DDAARO CC[N@H+](Cc1cc(=O)c2cc(C)ccc2[nH]1)[C@H]1COC[C@@H]1O ZINC000091289566 193031086 /nfs/dbraw/zinc/03/10/86/193031086.db2.gz BHASFLSQHQESEM-RDJZCZTQSA-N 1 0 302.374 1.418 50 0 DDAARO Cc1cc(C)c2[nH]c(C[NH2+][C@H](C(N)=O)C(C)C)cc(=O)c2c1 ZINC000091657356 193086106 /nfs/dbraw/zinc/08/61/06/193086106.db2.gz 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C[C@@H](Oc1ccccc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000072052245 406872478 /nfs/dbraw/zinc/87/24/78/406872478.db2.gz RUJZXWVBVFYGAZ-CYBMUJFWSA-N 1 0 302.378 1.851 50 0 DDAARO CC(=O)N1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000014200958 406873152 /nfs/dbraw/zinc/87/31/52/406873152.db2.gz WYONIYRYJFYAGS-KRWDZBQOSA-N 1 0 306.406 1.118 50 0 DDAARO c1cnn(-c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)c1 ZINC000023761494 406892031 /nfs/dbraw/zinc/89/20/31/406892031.db2.gz HDINZFTZYRIZNH-UHFFFAOYSA-N 1 0 320.400 1.985 50 0 DDAARO COc1cccc(N2CC[NH+](CCC(=O)NC3CC3)CC2)c1 ZINC000026921102 406907351 /nfs/dbraw/zinc/90/73/51/406907351.db2.gz CJZKTEBZQMKVIH-UHFFFAOYSA-N 1 0 303.406 1.486 50 0 DDAARO CCN(CC)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071776449 406843174 /nfs/dbraw/zinc/84/31/74/406843174.db2.gz XTOFWSOUGGQHMW-LLVKDONJSA-N 1 0 312.439 1.193 50 0 DDAARO NC(=O)C1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000071808115 406844694 /nfs/dbraw/zinc/84/46/94/406844694.db2.gz FKIPIRJKATXHBC-MRXNPFEDSA-N 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COc1ccc(C(=O)N2CCOC[C@@H]2C[NH+](C)C)c(OC)c1 ZINC000085469821 407102893 /nfs/dbraw/zinc/10/28/93/407102893.db2.gz VYLLPUJICANEAF-LBPRGKRZSA-N 1 0 308.378 1.106 50 0 DDAARO CC(C)(C)C(=O)NCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074438 407114927 /nfs/dbraw/zinc/11/49/27/407114927.db2.gz QIOAVGRYOZUSIF-UHFFFAOYSA-N 1 0 323.481 1.873 50 0 DDAARO CN1CC[C@H](C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC000046948964 407067296 /nfs/dbraw/zinc/06/72/96/407067296.db2.gz FFGLCBOXOIWTGN-GJZGRUSLSA-N 1 0 309.454 1.482 50 0 DDAARO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000046998190 407068493 /nfs/dbraw/zinc/06/84/93/407068493.db2.gz BESMJFTXKGOPCM-XHSDSOJGSA-N 1 0 307.438 1.424 50 0 DDAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000047905204 407082960 /nfs/dbraw/zinc/08/29/60/407082960.db2.gz OIBFERQRXJGXHV-LLVKDONJSA-N 1 0 321.421 1.880 50 0 DDAARO C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089346172 407131483 /nfs/dbraw/zinc/13/14/83/407131483.db2.gz 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/nfs/dbraw/zinc/20/78/95/407207895.db2.gz BWVUAKXXZFTKRS-ZIAGYGMSSA-N 1 0 317.433 1.986 50 0 DDAARO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095355824 407208062 /nfs/dbraw/zinc/20/80/62/407208062.db2.gz AWFCVBJDUCCDQE-JTQLQIEISA-N 1 0 301.325 1.437 50 0 DDAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2[nH]cnc2C1 ZINC000095353467 407208342 /nfs/dbraw/zinc/20/83/42/407208342.db2.gz HCEBKYXGPDIQJM-CYBMUJFWSA-N 1 0 314.389 1.800 50 0 DDAARO CCC[C@H]1CN(S(=O)(=O)c2ccc(C)c(F)c2)C[C@@H]1[NH3+] ZINC000095363715 407208771 /nfs/dbraw/zinc/20/87/71/407208771.db2.gz ISVKOGLXFRCDOJ-FZMZJTMJSA-N 1 0 300.399 1.882 50 0 DDAARO CCC[NH+]1CCC(CC(=O)NCc2nnc3n2CCCC3)CC1 ZINC000095362868 407209279 /nfs/dbraw/zinc/20/92/79/407209279.db2.gz SIJWILZSDMJASL-UHFFFAOYSA-N 1 0 319.453 1.743 50 0 DDAARO CN(CCCc1cnn(C)c1)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000095378278 407211143 /nfs/dbraw/zinc/21/11/43/407211143.db2.gz JQFNUHZIVPFUBM-HNNXBMFYSA-N 1 0 306.454 1.933 50 0 DDAARO CCn1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1=O ZINC000095377288 407211284 /nfs/dbraw/zinc/21/12/84/407211284.db2.gz MUGLDMJWBZLCRZ-LSDHHAIUSA-N 1 0 305.422 1.526 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ccccn3)C2)C1 ZINC000066050107 407247207 /nfs/dbraw/zinc/24/72/07/407247207.db2.gz LPAQTRNGWBGYNS-HZPDHXFCSA-N 1 0 316.449 1.899 50 0 DDAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccn1 ZINC000123348575 407326072 /nfs/dbraw/zinc/32/60/72/407326072.db2.gz UTFMIKQIBPFWOG-CHWSQXEVSA-N 1 0 316.357 1.901 50 0 DDAARO C[NH+](C)CCn1cc(NC(=O)NC(C)(C)c2nccs2)cn1 ZINC000096447210 407267171 /nfs/dbraw/zinc/26/71/71/407267171.db2.gz XNNDXFILQSONAH-UHFFFAOYSA-N 1 0 322.438 1.958 50 0 DDAARO O=C([C@H]1CCC[N@@H+]1CCc1ccncc1)N1CCSCC1 ZINC000067118114 407267538 /nfs/dbraw/zinc/26/75/38/407267538.db2.gz SMXCJKDBKUMMSH-OAHLLOKOSA-N 1 0 305.447 1.664 50 0 DDAARO COCCC1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000096472738 407270626 /nfs/dbraw/zinc/27/06/26/407270626.db2.gz 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CC(=O)N1CC[C@@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257176743 407481552 /nfs/dbraw/zinc/48/15/52/407481552.db2.gz AOXZAKOLNIZSRS-CQSZACIVSA-N 1 0 305.426 1.128 50 0 DDAARO C[C@H]1Sc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2NC1=O ZINC000178535471 407485952 /nfs/dbraw/zinc/48/59/52/407485952.db2.gz XDLVCFMTGFDDIY-NXEZZACHSA-N 1 0 305.403 1.540 50 0 DDAARO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000215538552 407488041 /nfs/dbraw/zinc/48/80/41/407488041.db2.gz GIUXSDNCIUWVDE-IBGZPJMESA-N 1 0 318.461 1.938 50 0 DDAARO c1ccc(OCCN2CCOCC2)c(C[NH+]2CCSCC2)c1 ZINC000215669798 407488381 /nfs/dbraw/zinc/48/83/81/407488381.db2.gz IDVNHXPWOSYOID-UHFFFAOYSA-N 1 0 322.474 1.946 50 0 DDAARO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000170605241 407451380 /nfs/dbraw/zinc/45/13/80/407451380.db2.gz JQGMPCZDUBAPIV-GFCCVEGCSA-N 1 0 308.407 1.072 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(-n2ccnc2)c1 ZINC000222128350 407553042 /nfs/dbraw/zinc/55/30/42/407553042.db2.gz 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Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H](C)C[NH3+])C2)n1 ZINC000262375990 407816944 /nfs/dbraw/zinc/81/69/44/407816944.db2.gz MIQKWJJFIHAMLF-DGCLKSJQSA-N 1 0 304.394 1.162 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000237408570 407818391 /nfs/dbraw/zinc/81/83/91/407818391.db2.gz JWQWZSHQCDSQFP-MCIONIFRSA-N 1 0 321.421 1.452 50 0 DDAARO COCCC[N@H+](C)CCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000241383554 407908802 /nfs/dbraw/zinc/90/88/02/407908802.db2.gz MWDQHAKIDYJXFQ-INIZCTEOSA-N 1 0 321.400 1.591 50 0 DDAARO CN(c1ncc(Cl)cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000241338553 407910821 /nfs/dbraw/zinc/91/08/21/407910821.db2.gz MBPWYCRXKOBQAD-UHFFFAOYSA-N 1 0 320.828 1.927 50 0 DDAARO c1ccc(C[N@@H+]2CCCO[C@@H](CNCc3cncnc3)C2)cc1 ZINC000192354742 408578428 /nfs/dbraw/zinc/57/84/28/408578428.db2.gz CRQWJHCXMZRKPJ-SFHVURJKSA-N 1 0 312.417 1.857 50 0 DDAARO COC(=O)C1CCC([NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000192445591 408589800 /nfs/dbraw/zinc/58/98/00/408589800.db2.gz RTJGCPGROMGLDI-ILDUYXDCSA-N 1 0 322.327 1.471 50 0 DDAARO Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000252490289 408798990 /nfs/dbraw/zinc/79/89/90/408798990.db2.gz KNYZKEOMBYTCND-WBVHZDCISA-N 1 0 319.449 1.978 50 0 DDAARO COc1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000252509564 408801628 /nfs/dbraw/zinc/80/16/28/408801628.db2.gz YQNWEKDVDBQPPD-DZGCQCFKSA-N 1 0 312.435 1.632 50 0 DDAARO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCc4n[nH]cc4C3)n2C2CC2)C1 ZINC000252527457 408803993 /nfs/dbraw/zinc/80/39/93/408803993.db2.gz CPPWXBRIDUTXQV-KLPPZKSPSA-N 1 0 313.409 1.099 50 0 DDAARO CC1=CCCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000333269429 410453367 /nfs/dbraw/zinc/45/33/67/410453367.db2.gz FXKJUZDCIUVEBX-UHFFFAOYSA-N 1 0 302.382 1.070 50 0 DDAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccn3cnnc23)C1 ZINC000299758221 410609278 /nfs/dbraw/zinc/60/92/78/410609278.db2.gz MWAORIMRLCAGJW-ZDUSSCGKSA-N 1 0 301.394 1.533 50 0 DDAARO CC(C)C[NH+]1CCC(CNC(=O)c2cccn3cnnc23)CC1 ZINC000299784803 410627033 /nfs/dbraw/zinc/62/70/33/410627033.db2.gz PAVFLTYZDPGGNC-UHFFFAOYSA-N 1 0 315.421 1.827 50 0 DDAARO COc1ccc(C)c(NC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000299787421 410627225 /nfs/dbraw/zinc/62/72/25/410627225.db2.gz WVWFMXNSSJVYDY-CQSZACIVSA-N 1 0 321.421 1.829 50 0 DDAARO CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1C[NH2+]CC2 ZINC000299797736 410635429 /nfs/dbraw/zinc/63/54/29/410635429.db2.gz QFMOWPSMPUZPPU-UHFFFAOYSA-N 1 0 314.389 1.335 50 0 DDAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[NH2+]CC2 ZINC000299800659 410638582 /nfs/dbraw/zinc/63/85/82/410638582.db2.gz IBCBYIGNUPNQIX-ZDUSSCGKSA-N 1 0 313.405 1.234 50 0 DDAARO Cn1c(SCCCN2CC[NH+](C)CC2)nnc1C1CCC1 ZINC000131576716 196181172 /nfs/dbraw/zinc/18/11/72/196181172.db2.gz NYZKZMVEMKLTRY-UHFFFAOYSA-N 1 0 309.483 1.812 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000134043753 196356364 /nfs/dbraw/zinc/35/63/64/196356364.db2.gz UIEUKEFKTGRLMX-ZFWWWQNUSA-N 1 0 301.346 1.367 50 0 DDAARO CCc1nc2c(s1)[C@@H]([NH2+]CCN1C(=O)CNC1=O)CCC2 ZINC000134082835 196360156 /nfs/dbraw/zinc/36/01/56/196360156.db2.gz IVMXPMVPPGCTCR-VIFPVBQESA-N 1 0 308.407 1.224 50 0 DDAARO CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000134156689 196366577 /nfs/dbraw/zinc/36/65/77/196366577.db2.gz CMBLDYXQZDLOML-VSGCLNPGSA-N 1 0 301.390 1.270 50 0 DDAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(c3ccccc3Cl)CC2)C1 ZINC000046087340 418445321 /nfs/dbraw/zinc/44/53/21/418445321.db2.gz PGGAEPPWHFJWHW-KRWDZBQOSA-N 1 0 323.868 1.919 50 0 DDAARO COc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(N)=O)C3)o2)cc1 ZINC000048035241 418463529 /nfs/dbraw/zinc/46/35/29/418463529.db2.gz KGTVAWPDNSGPSY-NSHDSACASA-N 1 0 302.334 1.052 50 0 DDAARO Cc1cccc(N2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000048366648 418471041 /nfs/dbraw/zinc/47/10/41/418471041.db2.gz TVMQKEZTPLDDJB-SFHVURJKSA-N 1 0 303.450 1.574 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC3(O)CCCCC3)C[C@H]2C)CC1 ZINC000257366256 418568438 /nfs/dbraw/zinc/56/84/38/418568438.db2.gz 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421847250 /nfs/dbraw/zinc/84/72/50/421847250.db2.gz BVQKPQXQWHVKAN-FUHWJXTLSA-N 1 0 304.434 1.850 50 0 DDAARO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650772 422209378 /nfs/dbraw/zinc/20/93/78/422209378.db2.gz ASXYLTCIZZGCAK-ZIAGYGMSSA-N 1 0 313.405 1.804 50 0 DDAARO Cc1noc(C)c1C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575605691 422303913 /nfs/dbraw/zinc/30/39/13/422303913.db2.gz GVJCCSYFTIMHGE-AWEZNQCLSA-N 1 0 307.394 1.522 50 0 DDAARO CO[C@@H](C[NH2+]Cc1nncn1-c1ccccc1)C1CCOCC1 ZINC000585117190 422307761 /nfs/dbraw/zinc/30/77/61/422307761.db2.gz UHMUWOHBTIGSLA-INIZCTEOSA-N 1 0 316.405 1.799 50 0 DDAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 ZINC000048236431 262541465 /nfs/dbraw/zinc/54/14/65/262541465.db2.gz DOWNRQZWHZMQTQ-STQMWFEESA-N 1 0 309.435 1.526 50 0 DDAARO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(N)=O)cc2)[C@H]1C[NH3+] ZINC000606442157 422460046 /nfs/dbraw/zinc/46/00/46/422460046.db2.gz ZOMYZGNRZLIBHC-KYXKSCCESA-N 1 0 301.390 1.385 50 0 DDAARO CC[NH+]1CCC(N[C@H]2CCCc3nc(N(C)C)ncc32)CC1 ZINC000011874716 276152232 /nfs/dbraw/zinc/15/22/32/276152232.db2.gz MLWBVINTFWYICY-HNNXBMFYSA-N 1 0 303.454 1.994 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000069415201 276787523 /nfs/dbraw/zinc/78/75/23/276787523.db2.gz YHTYPMQKANSOCX-RDJZCZTQSA-N 1 0 318.417 1.559 50 0 DDAARO C[C@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000096467552 298031409 /nfs/dbraw/zinc/03/14/09/298031409.db2.gz AIVYURAINBCRKO-CFVMTHIKSA-N 1 0 303.406 1.402 50 0 DDAARO Cc1nc(C(=O)NC2CC([NH+](C)C)C2)nn1-c1ccc(F)cc1 ZINC000576655245 308330633 /nfs/dbraw/zinc/33/06/33/308330633.db2.gz QTYKIUOAXFTUDI-UHFFFAOYSA-N 1 0 317.368 1.537 50 0 DDAARO CC(C)[C@@H]([NH2+]C1CCN(C(=O)C2CCC2)CC1)c1ncnn1C ZINC000534580444 334288928 /nfs/dbraw/zinc/28/89/28/334288928.db2.gz LGKGUNYYDGGZBT-OAHLLOKOSA-N 1 0 319.453 1.893 50 0 DDAARO CCOc1ccccc1N1CCN(C(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000534666524 334318900 /nfs/dbraw/zinc/31/89/00/334318900.db2.gz 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ZINC000014981666 696056731 /nfs/dbraw/zinc/05/67/31/696056731.db2.gz QFKNPDNUCXMULK-MRXNPFEDSA-N 1 0 306.381 1.738 50 0 DDAARO C[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1CCO ZINC000020539365 696070408 /nfs/dbraw/zinc/07/04/08/696070408.db2.gz TZVHSENWWQRYRR-INIZCTEOSA-N 1 0 300.406 1.575 50 0 DDAARO O=C(c1cnccn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000020996053 696071985 /nfs/dbraw/zinc/07/19/85/696071985.db2.gz LFOQBWMMTXYFPA-KRWDZBQOSA-N 1 0 322.412 1.792 50 0 DDAARO Cn1cc(/C=C/C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000025812938 696093534 /nfs/dbraw/zinc/09/35/34/696093534.db2.gz DPXDCDYOPXYKRR-NNTXTVRGSA-N 1 0 304.419 1.914 50 0 DDAARO COc1cccc(Cn2ncnc2CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000095390353 696603268 /nfs/dbraw/zinc/60/32/68/696603268.db2.gz GQMDJILSQOOQFO-HNNXBMFYSA-N 1 0 315.421 1.471 50 0 DDAARO Cc1ccsc1C[N@@H+]1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000169756425 697344066 /nfs/dbraw/zinc/34/40/66/697344066.db2.gz DHHNCVMZQGCGCC-UHFFFAOYSA-N 1 0 318.446 1.807 50 0 DDAARO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)c(C)c1 ZINC000193335587 697660234 /nfs/dbraw/zinc/66/02/34/697660234.db2.gz XQGJLKKMRAZIMV-CYBMUJFWSA-N 1 0 312.435 1.766 50 0 DDAARO COCC1(CC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000877871154 706229416 /nfs/dbraw/zinc/22/94/16/706229416.db2.gz LGJRHGFAYRRZCX-OAHLLOKOSA-N 1 0 310.438 1.563 50 0 DDAARO CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H]([NH3+])C2CCOCC2)C1 ZINC000958528188 716612078 /nfs/dbraw/zinc/61/20/78/716612078.db2.gz NVUFMYXSSQWKMW-CJNGLKHVSA-N 1 0 314.426 1.502 50 0 DDAARO CSCC[NH+]1CCC(NC(=O)[C@@H](C)Cn2cccn2)CC1 ZINC000952965585 721528756 /nfs/dbraw/zinc/52/87/56/721528756.db2.gz DVFVBOYHIPUZPS-ZDUSSCGKSA-N 1 0 310.467 1.463 50 0 DDAARO Cc1ccc(S(=O)(=O)NCCC[NH2+][C@@H]2CCSC2)cc1 ZINC000952969698 721529359 /nfs/dbraw/zinc/52/93/59/721529359.db2.gz OVCGQFZMFYXRAS-CYBMUJFWSA-N 1 0 314.476 1.759 50 0 DDAARO CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000952988272 721532946 /nfs/dbraw/zinc/53/29/46/721532946.db2.gz QQSZVNJEAZBMDM-LBPRGKRZSA-N 1 0 307.394 1.472 50 0 DDAARO CC[NH+]1CCN(C2CN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000952993184 721534246 /nfs/dbraw/zinc/53/42/46/721534246.db2.gz LYZIMWUPSQEVSW-UHFFFAOYSA-N 1 0 301.434 1.765 50 0 DDAARO COc1cc(N2CC[NH+](C[C@@H]3CCOC3=O)CC2)ccc1F ZINC000952993468 721534387 /nfs/dbraw/zinc/53/43/87/721534387.db2.gz YBHUMDAFIWMFHG-LBPRGKRZSA-N 1 0 308.353 1.519 50 0 DDAARO CCN1CC[NH+](C2CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000823112923 758268641 /nfs/dbraw/zinc/26/86/41/758268641.db2.gz QEYWWQGNJPYDOG-UHFFFAOYSA-N 1 0 309.454 1.042 50 0 DDAARO COCCCCN1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000824388971 759171641 /nfs/dbraw/zinc/17/16/41/759171641.db2.gz WTYKWFYVCAYWAR-UHFFFAOYSA-N 1 0 311.470 1.433 50 0 DDAARO O=C(NCc1nc(-c2ccc(F)cc2)no1)N[C@H]1CC[NH2+]C1 ZINC000828034837 759460599 /nfs/dbraw/zinc/46/05/99/759460599.db2.gz VPWAQQAYRANRIX-NSHDSACASA-N 1 0 305.313 1.037 50 0 DDAARO O=C(NCC1CC[NH+](CCCO)CC1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000828752894 759778499 /nfs/dbraw/zinc/77/84/99/759778499.db2.gz FZIHKBBTGOWQBN-OEXSFMSHSA-N 1 0 306.450 1.489 50 0 DDAARO Cc1nc(CCc2c(C)nc(=O)[nH]c2C)n(-c2cc[nH+]cc2)n1 ZINC000828932428 759842659 /nfs/dbraw/zinc/84/26/59/759842659.db2.gz POUWYXSVMYCPBP-UHFFFAOYSA-N 1 0 310.361 1.868 50 0 DDAARO O=C(c1cccs1)N1CCC2(C[C@@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000581811483 761713754 /nfs/dbraw/zinc/71/37/54/761713754.db2.gz GKVDXWYAMFUJBD-GFCCVEGCSA-N 1 0 319.430 1.175 50 0 DDAARO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000585081532 771926865 /nfs/dbraw/zinc/92/68/65/771926865.db2.gz ZRZYGFBCKBVZFQ-MCIONIFRSA-N 1 0 304.438 1.773 50 0 DDAARO Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CC4CCC3CC4)C2)c1=O ZINC000585081525 771926950 /nfs/dbraw/zinc/92/69/50/771926950.db2.gz VYRPBNYLMZHEGL-SSHXOBKSSA-N 1 0 316.449 1.917 50 0 DDAARO COc1ccc(S(=O)(=O)NCC23CCC[NH+]2CCC3)c(C)c1 ZINC000585114949 771947649 /nfs/dbraw/zinc/94/76/49/771947649.db2.gz GJVDTJKFGTXSET-UHFFFAOYSA-N 1 0 324.446 1.910 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccs1 ZINC000586164566 773756333 /nfs/dbraw/zinc/75/63/33/773756333.db2.gz OQJANOKSUPFHQQ-LBPRGKRZSA-N 1 0 318.464 1.479 50 0 DDAARO CC(C)C1=NO[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000952868161 775596904 /nfs/dbraw/zinc/59/69/04/775596904.db2.gz ZRCYSTIVGLXYQM-OAHLLOKOSA-N 1 0 309.410 1.111 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(Br)c1C ZINC000088441905 185250834 /nfs/dbraw/zinc/25/08/34/185250834.db2.gz AEWHQXSIEHKNGV-RYUDHWBXSA-N 1 0 313.195 1.474 50 0 DDAARO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000095394958 185352562 /nfs/dbraw/zinc/35/25/62/185352562.db2.gz MLJYEHCZTGGNNL-MRXNPFEDSA-N 1 0 318.417 1.814 50 0 DDAARO C[NH+](C)CCn1nnnc1SCc1ccn(C2CCCC2)n1 ZINC000095418352 185359443 /nfs/dbraw/zinc/35/94/43/185359443.db2.gz KOBFDGMTOXGLOJ-UHFFFAOYSA-N 1 0 321.454 1.839 50 0 DDAARO Cc1nn2c(nc(C)cc2N2CCN(CC[NH+](C)C)CC2)c1C ZINC000072410383 282308199 /nfs/dbraw/zinc/30/81/99/282308199.db2.gz BVPRXNRXZQLKCB-UHFFFAOYSA-N 1 0 316.453 1.338 50 0 DDAARO Cc1noc([C@]23CCC[C@H]2C[N@@H+](Cc2cnc(C)n2C)C3)n1 ZINC000685940912 539564793 /nfs/dbraw/zinc/56/47/93/539564793.db2.gz KBKIAKYPQNRULY-BBRMVZONSA-N 1 0 301.394 1.974 50 0 DDAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(OCc2cccnc2)CC1 ZINC000071749964 191022425 /nfs/dbraw/zinc/02/24/25/191022425.db2.gz YQKIMWHJYSMLJL-MRXNPFEDSA-N 1 0 305.422 1.963 50 0 DDAARO OC[C@]12CCC[NH2+][C@@H]1CCN(Cc1ccc3nonc3c1)C2 ZINC000072138807 191047409 /nfs/dbraw/zinc/04/74/09/191047409.db2.gz FFVJGYPPKGSWFO-HZPDHXFCSA-N 1 0 302.378 1.159 50 0 DDAARO COC(C)(C)C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072157469 191060616 /nfs/dbraw/zinc/06/06/16/191060616.db2.gz HRXVPEAQNOSYRA-CABCVRRESA-N 1 0 318.417 1.346 50 0 DDAARO O=C(c1cncc(Cl)c1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072161488 191062477 /nfs/dbraw/zinc/06/24/77/191062477.db2.gz FPKIENXHCYEPEP-UHFFFAOYSA-N 1 0 323.824 1.796 50 0 DDAARO [NH2+]=C(NCC(=O)NCCc1ccccc1)NCc1ccccc1 ZINC000072235877 191080432 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Cc1cc(CC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)on1 ZINC000091987269 193137213 /nfs/dbraw/zinc/13/72/13/193137213.db2.gz IMXBAAUWMLLTPC-UHFFFAOYSA-N 1 0 314.389 1.968 50 0 DDAARO CCCC[C@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)C(N)=O ZINC000092002554 193139402 /nfs/dbraw/zinc/13/94/02/193139402.db2.gz RIWNEJNXKGPBLF-AWEZNQCLSA-N 1 0 305.353 1.801 50 0 DDAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000216176719 201484254 /nfs/dbraw/zinc/48/42/54/201484254.db2.gz FCROSXUITYNOPV-OAHLLOKOSA-N 1 0 324.446 1.369 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(-n2cncn2)c1 ZINC000055996635 284062456 /nfs/dbraw/zinc/06/24/56/284062456.db2.gz QEQGGZSVKGMQFH-ZIAGYGMSSA-N 1 0 312.377 1.019 50 0 DDAARO Cn1cccc1C[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000093683262 193288890 /nfs/dbraw/zinc/28/88/90/193288890.db2.gz BRAZHPHLXAERBP-NSHDSACASA-N 1 0 303.328 1.916 50 0 DDAARO O=C(NCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000096162704 193558306 /nfs/dbraw/zinc/55/83/06/193558306.db2.gz 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406727537 /nfs/dbraw/zinc/72/75/37/406727537.db2.gz HDNJQAFWTKQBFC-CYBMUJFWSA-N 1 0 302.382 1.424 50 0 DDAARO NC(=O)c1cnn2c1NC[C@H](C[NH2+]CCCc1ccccc1)C2 ZINC000069846569 406781815 /nfs/dbraw/zinc/78/18/15/406781815.db2.gz VERKFLUFYDXJSU-AWEZNQCLSA-N 1 0 313.405 1.246 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000069848150 406782432 /nfs/dbraw/zinc/78/24/32/406782432.db2.gz HWYZJQGUTZGKIN-IAQYHMDHSA-N 1 0 317.368 1.104 50 0 DDAARO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000069811544 406776282 /nfs/dbraw/zinc/77/62/82/406776282.db2.gz NRGPXIMQSFUSTG-NEPJUHHUSA-N 1 0 300.399 1.887 50 0 DDAARO CC(C)Cc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000069901480 406789124 /nfs/dbraw/zinc/78/91/24/406789124.db2.gz ONJPGGUZHIRDLG-CQSZACIVSA-N 1 0 324.469 1.793 50 0 DDAARO C[C@@H]1CN(Cc2cnn(C)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069981760 406801662 /nfs/dbraw/zinc/80/16/62/406801662.db2.gz MPWBVUHRTQUEEP-QAPCUYQASA-N 1 0 314.433 1.660 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000071825190 406847196 /nfs/dbraw/zinc/84/71/96/406847196.db2.gz UCBQMRVJWNXOTG-HNNXBMFYSA-N 1 0 301.390 1.586 50 0 DDAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000071871754 406858553 /nfs/dbraw/zinc/85/85/53/406858553.db2.gz YKPBIGDSCGCQQZ-HNNXBMFYSA-N 1 0 306.373 1.840 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2Cn2cncn2)no1 ZINC000071876194 406859357 /nfs/dbraw/zinc/85/93/57/406859357.db2.gz BCXPUBKBNUVPNK-CYBMUJFWSA-N 1 0 318.381 1.458 50 0 DDAARO CC(C)Nc1ncccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000071911668 406866814 /nfs/dbraw/zinc/86/68/14/406866814.db2.gz KFCWNZUYTSKMKS-KGLIPLIRSA-N 1 0 318.421 1.495 50 0 DDAARO Cc1nc(CN2CCC[C@H]([NH2+]CC3(O)CCCCC3)C2)no1 ZINC000072253922 406876351 /nfs/dbraw/zinc/87/63/51/406876351.db2.gz PLZJOMURBATUQG-AWEZNQCLSA-N 1 0 308.426 1.627 50 0 DDAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)N(C)CCn2cccn2)C1 ZINC000072277822 406878447 /nfs/dbraw/zinc/87/84/47/406878447.db2.gz 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O=C(CCc1nc(C2CC2)no1)N1CC[NH+](CC2CC2)CC1 ZINC000089598170 407140905 /nfs/dbraw/zinc/14/09/05/407140905.db2.gz CXLSXNZRVYFYFQ-UHFFFAOYSA-N 1 0 304.394 1.434 50 0 DDAARO CCOc1ccc(OC[C@H](O)C[N@H+](CC)CC(=O)N(C)C)cc1 ZINC000051768752 407142202 /nfs/dbraw/zinc/14/22/02/407142202.db2.gz MXXCBTLJYJWTEH-CQSZACIVSA-N 1 0 324.421 1.235 50 0 DDAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)o1 ZINC000089702294 407144219 /nfs/dbraw/zinc/14/42/19/407144219.db2.gz QIKFMBLRYZZTKJ-HNNXBMFYSA-N 1 0 303.410 1.465 50 0 DDAARO Cn1ncc2c1nc(C[N@H+](C[C@H]1CCOC1)C1CC1)[nH]c2=O ZINC000052827986 407158003 /nfs/dbraw/zinc/15/80/03/407158003.db2.gz XPONHXKZLNSRKR-SNVBAGLBSA-N 1 0 303.366 1.070 50 0 DDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000089938972 407160882 /nfs/dbraw/zinc/16/08/82/407160882.db2.gz MLRXVXZGENMPSU-OAHLLOKOSA-N 1 0 301.434 1.818 50 0 DDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000055053947 407193754 /nfs/dbraw/zinc/19/37/54/407193754.db2.gz 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ZINC000333211670 410423785 /nfs/dbraw/zinc/42/37/85/410423785.db2.gz ZUJPCHJRFOWPTN-UHFFFAOYSA-N 1 0 323.466 1.439 50 0 DDAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3cc(N)ncn3)c2)C1 ZINC000299760702 410611181 /nfs/dbraw/zinc/61/11/81/410611181.db2.gz QPSXNMZSOFTKKU-CQSZACIVSA-N 1 0 311.389 1.502 50 0 DDAARO C[NH+](C)Cc1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000299774711 410616948 /nfs/dbraw/zinc/61/69/48/410616948.db2.gz HTCFOYHCQZWFCK-AWEZNQCLSA-N 1 0 303.362 1.025 50 0 DDAARO CCn1c(C)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)c1C ZINC000299787989 410626951 /nfs/dbraw/zinc/62/69/51/410626951.db2.gz ULWIHQCECUAFGC-HOTGVXAUSA-N 1 0 307.438 1.962 50 0 DDAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH2+]CC2 ZINC000299787710 410628576 /nfs/dbraw/zinc/62/85/76/410628576.db2.gz ZWNXKSPRISZGIO-UHFFFAOYSA-N 1 0 302.378 1.030 50 0 DDAARO CCn1cc(NC(=O)NC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000299797190 410634763 /nfs/dbraw/zinc/63/47/63/410634763.db2.gz QHUYWGWDFNUBHD-UHFFFAOYSA-N 1 0 321.425 1.668 50 0 DDAARO CCc1nn(C)c(NC(=O)NC[C@@H]2CC[N@H+](CCOC)C2)c1C ZINC000299800098 410637147 /nfs/dbraw/zinc/63/71/47/410637147.db2.gz UYCWRNJMILOETA-ZDUSSCGKSA-N 1 0 323.441 1.381 50 0 DDAARO Cc1ccc(-c2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)no2)cc1 ZINC000299802135 410638445 /nfs/dbraw/zinc/63/84/45/410638445.db2.gz RUCCPXFWNAKRTN-HNNXBMFYSA-N 1 0 315.373 1.645 50 0 DDAARO COc1cccc(F)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1OC ZINC000299802218 410639130 /nfs/dbraw/zinc/63/91/30/410639130.db2.gz YDHGSBDZFWUJJX-JSGCOSHPSA-N 1 0 310.369 1.672 50 0 DDAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1nnnn1-c1ccccc1 ZINC000130802319 196111507 /nfs/dbraw/zinc/11/15/07/196111507.db2.gz HYXRTPCFXCKXOQ-UBHSHLNASA-N 1 0 314.393 1.357 50 0 DDAARO CCCC[N@H+](CC)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000044908304 418431621 /nfs/dbraw/zinc/43/16/21/418431621.db2.gz GVBWJJZSWFZAPL-OAHLLOKOSA-N 1 0 319.405 1.388 50 0 DDAARO Cc1cc(CN2CCN(C(=O)NCC(C)(C)[NH+](C)C)CC2)on1 ZINC000045563831 418439756 /nfs/dbraw/zinc/43/97/56/418439756.db2.gz BZTLARPXEKQEOB-UHFFFAOYSA-N 1 0 323.441 1.150 50 0 DDAARO Cc1nn(C)c(C)c1CC(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000046881112 418450822 /nfs/dbraw/zinc/45/08/22/418450822.db2.gz JASJTDHCDIGXIX-CHWSQXEVSA-N 1 0 306.454 1.674 50 0 DDAARO Cn1cc(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cn1 ZINC000048784667 418474622 /nfs/dbraw/zinc/47/46/22/418474622.db2.gz TYWWBJSPENKNOP-UHFFFAOYSA-N 1 0 300.341 1.472 50 0 DDAARO CC(C)n1cc(S(=O)(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000101660764 418494811 /nfs/dbraw/zinc/49/48/11/418494811.db2.gz XSGCZSSOWKWYOA-UHFFFAOYSA-N 1 0 324.450 1.489 50 0 DDAARO CC/C(=C\C(=O)NCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000103915656 418496448 /nfs/dbraw/zinc/49/64/48/418496448.db2.gz CODSUWGUEZDBNX-FOCLMDBBSA-N 1 0 301.434 1.844 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O ZINC000257365638 418568207 /nfs/dbraw/zinc/56/82/07/418568207.db2.gz CPHPASNNDDWKOY-UONOGXRCSA-N 1 0 318.421 1.476 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2nccn2CC(F)(F)F)C[C@H]1C ZINC000242389275 222212999 /nfs/dbraw/zinc/21/29/99/222212999.db2.gz ZVUSLHSJAQLBAI-NEPJUHHUSA-N 1 0 320.359 1.332 50 0 DDAARO CC(=O)NCCOCCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000408522663 418808098 /nfs/dbraw/zinc/80/80/98/418808098.db2.gz BVWYPILROKGJEC-UHFFFAOYSA-N 1 0 319.380 1.818 50 0 DDAARO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000408524911 418809034 /nfs/dbraw/zinc/80/90/34/418809034.db2.gz YMKKLHSAWZBCMT-NWDGAFQWSA-N 1 0 319.434 1.403 50 0 DDAARO COc1cccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCOC2)c1 ZINC000426477952 419483846 /nfs/dbraw/zinc/48/38/46/419483846.db2.gz FISZUESCUOHFJI-LLVKDONJSA-N 1 0 320.418 1.863 50 0 DDAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCC(n2cnnc2)CC1 ZINC000426360491 419445621 /nfs/dbraw/zinc/44/56/21/419445621.db2.gz WIXVGFSGNSYAJX-OKILXGFUSA-N 1 0 305.426 1.705 50 0 DDAARO [NH3+]Cc1nnc(SC[C@H]2CCOC2)n1Cc1ccccc1 ZINC000426358933 419446829 /nfs/dbraw/zinc/44/68/29/419446829.db2.gz GDYNIAVKIXXPPK-ZDUSSCGKSA-N 1 0 304.419 1.914 50 0 DDAARO CC(C)c1nccc(C(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC000426387166 419452250 /nfs/dbraw/zinc/45/22/50/419452250.db2.gz WSGGZJAJBUXCLH-UHFFFAOYSA-N 1 0 306.410 1.441 50 0 DDAARO Cc1nc(CNC(=O)Cc2cccc(OCC[NH3+])c2)n(C)c1C ZINC000426397679 419455876 /nfs/dbraw/zinc/45/58/76/419455876.db2.gz ZDATUGYHGXLVOT-UHFFFAOYSA-N 1 0 316.405 1.233 50 0 DDAARO C[C@@H](NC(=O)NCC(C)(C)C[NH+](C)C)[C@@H](O)c1ccc(O)cc1 ZINC000426393100 419457278 /nfs/dbraw/zinc/45/72/78/419457278.db2.gz XOVKRBWRCCAIDV-IUODEOHRSA-N 1 0 323.437 1.701 50 0 DDAARO C[NH+]1CCC(C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 ZINC000426398977 419457955 /nfs/dbraw/zinc/45/79/55/419457955.db2.gz DVZUODASFSACMQ-UHFFFAOYSA-N 1 0 305.304 1.172 50 0 DDAARO CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)ccc1OCC[NH3+] ZINC000426420326 419463593 /nfs/dbraw/zinc/46/35/93/419463593.db2.gz ZZPHRYGQOADETE-AWEZNQCLSA-N 1 0 319.405 1.073 50 0 DDAARO COc1ccnc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1 ZINC000426511619 228581910 /nfs/dbraw/zinc/58/19/10/228581910.db2.gz IEVYMVREEKQZCM-LLVKDONJSA-N 1 0 319.434 1.978 50 0 DDAARO CN(C(=O)c1cn(C)nc1-c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000299740313 229375530 /nfs/dbraw/zinc/37/55/30/229375530.db2.gz YHSOXEMOXRHMPU-NSHDSACASA-N 1 0 320.343 1.799 50 0 DDAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000299747806 229390642 /nfs/dbraw/zinc/39/06/42/229390642.db2.gz FDFXKIOAUNIPBQ-HOTGVXAUSA-N 1 0 306.381 1.330 50 0 DDAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1c[nH]cc(Br)c1=O ZINC000423759471 420166420 /nfs/dbraw/zinc/16/64/20/420166420.db2.gz HVSZEPBLTQHSCZ-HZGVNTEJSA-N 1 0 302.172 1.449 50 0 DDAARO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000630061398 421870620 /nfs/dbraw/zinc/87/06/20/421870620.db2.gz WAVZVPPQZHIKKF-OAHLLOKOSA-N 1 0 303.406 1.585 50 0 DDAARO CN(C)C(=O)c1ccc(OC2CC[NH+](CCCF)CC2)nc1 ZINC000585115958 422304655 /nfs/dbraw/zinc/30/46/55/422304655.db2.gz BLWIKFSBOXYLBD-UHFFFAOYSA-N 1 0 309.385 1.986 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c2cnn(C)c2n1 ZINC000237637528 274678330 /nfs/dbraw/zinc/67/83/30/274678330.db2.gz YXNSNFANUMIPNT-HZMBPMFUSA-N 1 0 301.394 1.476 50 0 DDAARO Cn1nc(-c2nc([C@H]3CCC[NH2+]C3)cc(=O)[nH]2)c2ccccc21 ZINC000032603499 274900874 /nfs/dbraw/zinc/90/08/74/274900874.db2.gz JDNXGVYHHDMEDO-NSHDSACASA-N 1 0 309.373 1.791 50 0 DDAARO O[C@H]1c2ccccc2C[C@@H]1[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000095987357 275059580 /nfs/dbraw/zinc/05/95/80/275059580.db2.gz PRBUNCXHVUTBML-IRXDYDNUSA-N 1 0 310.401 1.647 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(Cl)n1 ZINC000078510911 276787731 /nfs/dbraw/zinc/78/77/31/276787731.db2.gz MQYIYYIHTHBWPT-GFCCVEGCSA-N 1 0 311.813 1.918 50 0 DDAARO CN(C)c1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccn1 ZINC000066944425 276879562 /nfs/dbraw/zinc/87/95/62/276879562.db2.gz FGQMFQJYDQHGMX-OAHLLOKOSA-N 1 0 302.422 1.848 50 0 DDAARO CC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062229043 277029615 /nfs/dbraw/zinc/02/96/15/277029615.db2.gz NYOUKBBILAYIGR-KRWDZBQOSA-N 1 0 317.433 1.684 50 0 DDAARO CNC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000097102627 277250929 /nfs/dbraw/zinc/25/09/29/277250929.db2.gz XSQGRZZWDUJLPP-WCQYABFASA-N 1 0 307.369 1.659 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2cnccn2)C1 ZINC000178735062 277395326 /nfs/dbraw/zinc/39/53/26/277395326.db2.gz AXDHRMVRZSOEID-OAHLLOKOSA-N 1 0 319.453 1.986 50 0 DDAARO CC(C)(C)C1CCN(S(=O)(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000089021541 278303421 /nfs/dbraw/zinc/30/34/21/278303421.db2.gz CBEZWMIMWPQRAW-UHFFFAOYSA-N 1 0 317.499 1.660 50 0 DDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000229829346 280396357 /nfs/dbraw/zinc/39/63/57/280396357.db2.gz HKUISZCBEUSFBV-DAXOMENPSA-N 1 0 321.396 1.589 50 0 DDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc2c1OCO2 ZINC000069663404 289143450 /nfs/dbraw/zinc/14/34/50/289143450.db2.gz YHZSREGRTIYNOF-CYBMUJFWSA-N 1 0 320.389 1.598 50 0 DDAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000299771752 289159097 /nfs/dbraw/zinc/15/90/97/289159097.db2.gz XGOYAMQGQULFSJ-INIZCTEOSA-N 1 0 305.353 1.636 50 0 DDAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C[NH3+] ZINC000091626359 293289802 /nfs/dbraw/zinc/28/98/02/293289802.db2.gz HHVAWSMQLQTIDC-LLVKDONJSA-N 1 0 305.426 1.690 50 0 DDAARO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CCO2)cn1 ZINC000262242319 294307843 /nfs/dbraw/zinc/30/78/43/294307843.db2.gz BQDDYEMKUQFFHB-INWMFGNUSA-N 1 0 306.410 1.012 50 0 DDAARO Cc1cc(C)nc(Sc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000534635802 334309395 /nfs/dbraw/zinc/30/93/95/334309395.db2.gz ZEOPGPAOGZEQDB-UHFFFAOYSA-N 1 0 304.423 1.840 50 0 DDAARO Cc1cccnc1CC(=O)NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC000534656707 334314042 /nfs/dbraw/zinc/31/40/42/334314042.db2.gz LMXARJLZUVBINX-UHFFFAOYSA-N 1 0 316.449 1.076 50 0 DDAARO Cc1nn(C)c(C)c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534664039 334323363 /nfs/dbraw/zinc/32/33/63/334323363.db2.gz UVOQDXQPKGSWLS-GEEKYZPCSA-N 1 0 302.422 1.178 50 0 DDAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(C)cn2)ncn1 ZINC000084258500 483992596 /nfs/dbraw/zinc/99/25/96/483992596.db2.gz YNMSPTSJEXHXBX-CQSZACIVSA-N 1 0 313.409 1.375 50 0 DDAARO CC(C)N1C(=O)N[C@@]2(CCN(CC[NH2+]C3CCCCC3)C2)C1=O ZINC000084597347 483997744 /nfs/dbraw/zinc/99/77/44/483997744.db2.gz XLPODGGAKOFOLA-QGZVFWFLSA-N 1 0 322.453 1.313 50 0 DDAARO CC[C@@H]1CN(Cc2nc3c(cccc3F)[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000084736476 484001340 /nfs/dbraw/zinc/00/13/40/484001340.db2.gz XLMHVTGJYRYODE-CHWSQXEVSA-N 1 0 320.412 1.979 50 0 DDAARO CCO[C@H](C)c1noc(CN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000084800623 484002085 /nfs/dbraw/zinc/00/20/85/484002085.db2.gz XBXUTUVZBWGMBZ-CYBMUJFWSA-N 1 0 317.393 1.884 50 0 DDAARO CCn1c(C[NH2+]CC2(C(N)=O)CCOCC2)nc2ccccc21 ZINC000086250719 484005555 /nfs/dbraw/zinc/00/55/55/484005555.db2.gz BZKGJIFBBZASEH-UHFFFAOYSA-N 1 0 316.405 1.428 50 0 DDAARO NC(=O)C1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCOCC1 ZINC000086250767 484006107 /nfs/dbraw/zinc/00/61/07/484006107.db2.gz VNLUJPCDNKJDLY-UHFFFAOYSA-N 1 0 314.389 1.244 50 0 DDAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670439041 484830728 /nfs/dbraw/zinc/83/07/28/484830728.db2.gz HUQLFXWYLJMMLV-ZDUSSCGKSA-N 1 0 302.378 1.547 50 0 DDAARO O[C@H]1CN(CCCCOc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000670460384 484843734 /nfs/dbraw/zinc/84/37/34/484843734.db2.gz VALOKMYASFMDGV-ROUUACIJSA-N 1 0 304.434 1.987 50 0 DDAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccccc3-n3cnnc3)C[C@H]12 ZINC000670470613 484849054 /nfs/dbraw/zinc/84/90/54/484849054.db2.gz CYFAIDUVWWGDLX-QKDCVEJESA-N 1 0 311.389 1.147 50 0 DDAARO CNC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000670471753 484849611 /nfs/dbraw/zinc/84/96/11/484849611.db2.gz KXPWMTYKHMMNGU-LLVKDONJSA-N 1 0 306.362 1.382 50 0 DDAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121171845 490622832 /nfs/dbraw/zinc/62/28/32/490622832.db2.gz FVGKDJRJARWTHW-CQSZACIVSA-N 1 0 303.410 1.595 50 0 DDAARO CCC(CC)n1ncc(C)c1NC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000299797151 528909651 /nfs/dbraw/zinc/90/96/51/528909651.db2.gz PPIHGFPGBHQMOP-OAHLLOKOSA-N 1 0 309.414 1.399 50 0 DDAARO C[NH+](C)[C@@H]1CCN(c2nc3nonc3nc2NC2CCCC2)C1 ZINC000014959845 696056441 /nfs/dbraw/zinc/05/64/41/696056441.db2.gz MLQFBUWPFFNCIL-LLVKDONJSA-N 1 0 317.397 1.508 50 0 DDAARO Cc1ncc2c(c1-c1noc(-c3ccnc(N)c3)n1)CC[NH2+]C2 ZINC000019835726 696069325 /nfs/dbraw/zinc/06/93/25/696069325.db2.gz QHBDOIOMAAMKQH-UHFFFAOYSA-N 1 0 308.345 1.730 50 0 DDAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3nnc[nH]3)C2)cc1C ZINC000067673997 696362893 /nfs/dbraw/zinc/36/28/93/696362893.db2.gz BRBYTAQITOVUIA-HNNXBMFYSA-N 1 0 313.405 1.673 50 0 DDAARO COC(=O)CN(C)Cc1cccc(O[C@@]23CC[N@H+](C2)CCC3)c1 ZINC000067723252 696363833 /nfs/dbraw/zinc/36/38/33/696363833.db2.gz DAXMGNQBFCENAS-SFHVURJKSA-N 1 0 318.417 1.909 50 0 DDAARO Nc1nc2c(c(NCCc3nc4ccccc4[nH]3)n1)CC[NH2+]C2 ZINC000071747024 696392556 /nfs/dbraw/zinc/39/25/56/696392556.db2.gz PKQQYYZCYDXYEZ-UHFFFAOYSA-N 1 0 309.377 1.235 50 0 DDAARO CN(Cc1ncc[nH]1)c1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000071753682 696392566 /nfs/dbraw/zinc/39/25/66/696392566.db2.gz HRQSBUYICBRMML-UHFFFAOYSA-N 1 0 321.388 1.544 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000072152918 696393147 /nfs/dbraw/zinc/39/31/47/696393147.db2.gz MSSVBVGNNGAGGS-LLVKDONJSA-N 1 0 303.337 1.621 50 0 DDAARO CC[N@H+](CCNC(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000137285775 696857928 /nfs/dbraw/zinc/85/79/28/696857928.db2.gz SGOHNJVSPBRBEG-UHFFFAOYSA-N 1 0 319.380 1.925 50 0 DDAARO COc1cc(/C=C/C(=O)N2CC[C@H](C[NH3+])C2)cc2c1OCCO2 ZINC000178576320 697426243 /nfs/dbraw/zinc/42/62/43/697426243.db2.gz LYHWDMKKHRRLSR-YWVDXFKGSA-N 1 0 318.373 1.287 50 0 DDAARO Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000888099994 709213578 /nfs/dbraw/zinc/21/35/78/709213578.db2.gz QHJCNWSKJFQNRX-DZGCQCFKSA-N 1 0 319.453 1.902 50 0 DDAARO Cn1cncc1[C@@H]([NH3+])C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000958527781 716612420 /nfs/dbraw/zinc/61/24/20/716612420.db2.gz DMRKSFIIGBICAM-GFCCVEGCSA-N 1 0 310.398 1.182 50 0 DDAARO Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cncnc2)cc1 ZINC000952966357 721528576 /nfs/dbraw/zinc/52/85/76/721528576.db2.gz VMQSTXINDGHALL-UHFFFAOYSA-N 1 0 320.418 1.243 50 0 DDAARO Cc1cc(N)n(CC(=O)NC[C@@H](c2sccc2C)[NH+](C)C)n1 ZINC000952965467 721528585 /nfs/dbraw/zinc/52/85/85/721528585.db2.gz QRLWCJIWJHNYBH-LBPRGKRZSA-N 1 0 321.450 1.563 50 0 DDAARO Cc1n[nH]cc1CN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000952970808 721529283 /nfs/dbraw/zinc/52/92/83/721529283.db2.gz VPIIEUZLTDIFST-UHFFFAOYSA-N 1 0 322.796 1.868 50 0 DDAARO CN(C)c1ncc(/C=C/C(=O)NCC[C@H]2CCCC[NH2+]2)cn1 ZINC000952972428 721530197 /nfs/dbraw/zinc/53/01/97/721530197.db2.gz VRWYFKQHWSZQKQ-PSKZRQQASA-N 1 0 303.410 1.204 50 0 DDAARO Cc1cnccc1CN(C)C(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000952984109 721532111 /nfs/dbraw/zinc/53/21/11/721532111.db2.gz OEXIEOXAFUSSNR-HNNXBMFYSA-N 1 0 305.422 1.849 50 0 DDAARO CC[C@H](C(=O)Nc1cc(NC(=O)COC)ccc1C)[NH+](C)C ZINC000952992297 721533880 /nfs/dbraw/zinc/53/38/80/721533880.db2.gz ZEHMWWGQDKWBEW-CQSZACIVSA-N 1 0 307.394 1.859 50 0 DDAARO C[C@]1(c2ccccc2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000169930782 742604572 /nfs/dbraw/zinc/60/45/72/742604572.db2.gz CAOOICZVXKTLJC-QGZVFWFLSA-N 1 0 301.390 1.940 50 0 DDAARO Cc1ccccc1S(=O)(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000823690031 758342001 /nfs/dbraw/zinc/34/20/01/758342001.db2.gz JYVXBQPIHSMOSW-CQSZACIVSA-N 1 0 312.435 1.194 50 0 DDAARO Cc1nn(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000584907055 771883560 /nfs/dbraw/zinc/88/35/60/771883560.db2.gz CFKNYTVXYUYIJH-HNNXBMFYSA-N 1 0 313.405 1.974 50 0 DDAARO CCOCCN1CC2(CCC1=O)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000219595468 771934525 /nfs/dbraw/zinc/93/45/25/771934525.db2.gz QRDNKKLZZAQKFQ-MRXNPFEDSA-N 1 0 323.481 1.480 50 0 DDAARO CN(CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000585089993 771941076 /nfs/dbraw/zinc/94/10/76/771941076.db2.gz GXKUQSZZSSIZRG-QGZVFWFLSA-N 1 0 316.449 1.019 50 0 DDAARO CCOc1cccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000585121471 771953370 /nfs/dbraw/zinc/95/33/70/771953370.db2.gz QIFXRVURFPBJMQ-OAHLLOKOSA-N 1 0 304.390 1.422 50 0 DDAARO C[NH+](C)C[C@H]1CC[C@@H](Cc2ccc(C(=O)N3CCOCC3)o2)O1 ZINC000952854532 775582259 /nfs/dbraw/zinc/58/22/59/775582259.db2.gz QHIBWXUAUVJFFE-DZGCQCFKSA-N 1 0 322.405 1.404 50 0 DDAARO Cc1nsc(C)c1CN1CCCN(CC(=O)N(C)C)CC1 ZINC000952876042 775622066 /nfs/dbraw/zinc/62/20/66/775622066.db2.gz RALNPPDPDJJGHA-UHFFFAOYSA-N 1 0 310.467 1.356 50 0 DDAARO O=C(N[C@H]1CCN(c2cc(N3CCCC3)cn[nH+]2)C1)C1CC1 ZINC000409421267 878185862 /nfs/dbraw/zinc/18/58/62/878185862.db2.gz MUZORVNQYKPMJD-ZDUSSCGKSA-N 1 0 301.394 1.182 50 0 DDAARO CN(CCc1ccccc1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095506487 185375625 /nfs/dbraw/zinc/37/56/25/185375625.db2.gz QZAMUJCDKGVGBH-CVEARBPZSA-N 1 0 315.417 1.040 50 0 DDAARO Cc1nn(C)c2nc(NCC[N@@H+]3CCC[C@@H](CO)C3)sc12 ZINC000095509910 185376184 /nfs/dbraw/zinc/37/61/84/185376184.db2.gz IQYXDLVTAOHHHZ-LLVKDONJSA-N 1 0 309.439 1.454 50 0 DDAARO Cc1nc2ncnn2c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000096453194 282130972 /nfs/dbraw/zinc/13/09/72/282130972.db2.gz HJOSGYPIVNDJAA-CQSZACIVSA-N 1 0 316.409 1.042 50 0 DDAARO CNS(=O)(=O)CCC[N@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC000078921917 185129044 /nfs/dbraw/zinc/12/90/44/185129044.db2.gz MPHGCUJTHOHWHT-UHFFFAOYSA-N 1 0 324.446 1.724 50 0 DDAARO Cc1ncc(C[N@@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)s1 ZINC000065463021 282151870 /nfs/dbraw/zinc/15/18/70/282151870.db2.gz QIXPBEIQWBILIM-UHFFFAOYSA-N 1 0 319.434 1.202 50 0 DDAARO CCC(CC)CN1CC2(CCN(C(=O)CC[NH3+])CC2)OC1=O ZINC000077298418 282162251 /nfs/dbraw/zinc/16/22/51/282162251.db2.gz JFFYOGWRKQKYPF-UHFFFAOYSA-N 1 0 311.426 1.585 50 0 DDAARO Cc1ncc2c(c1-c1noc(-c3ccc(=O)[nH]n3)n1)CC[NH2+]C2 ZINC000019744173 282168384 /nfs/dbraw/zinc/16/83/84/282168384.db2.gz GCVUUJKKUIIHPO-UHFFFAOYSA-N 1 0 310.317 1.248 50 0 DDAARO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC000623180665 365703563 /nfs/dbraw/zinc/70/35/63/365703563.db2.gz SYFHITAMLMXFAP-OWCLPIDISA-N 1 0 310.401 1.317 50 0 DDAARO Cc1nc(C)n(CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000095391853 185351834 /nfs/dbraw/zinc/35/18/34/185351834.db2.gz AAKARSVYFLJGMZ-HNNXBMFYSA-N 1 0 307.442 1.666 50 0 DDAARO COC[C@@H]1CN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CCO1 ZINC000095401344 185354743 /nfs/dbraw/zinc/35/47/43/185354743.db2.gz JTQWMYYNVGZZNY-YJBOKZPZSA-N 1 0 318.417 1.264 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000255716180 282276066 /nfs/dbraw/zinc/27/60/66/282276066.db2.gz CMBLDYXQZDLOML-XMELGKRDSA-N 1 0 301.390 1.270 50 0 DDAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000095410400 185357313 /nfs/dbraw/zinc/35/73/13/185357313.db2.gz ALTXAXHUSIFUPW-SWLSCSKDSA-N 1 0 312.435 1.752 50 0 DDAARO CC(C)[C@H](O)C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000095436859 185365233 /nfs/dbraw/zinc/36/52/33/185365233.db2.gz JKAJYMXVSXEPAW-HIFRSBDPSA-N 1 0 311.470 1.813 50 0 DDAARO CC(C)[C@H]([NH3+])CNS(=O)(=O)Cc1cccc2cccnc21 ZINC000095432099 185363634 /nfs/dbraw/zinc/36/36/34/185363634.db2.gz QXSVUFWMUGYVDU-CQSZACIVSA-N 1 0 307.419 1.638 50 0 DDAARO CSCC[C@H](O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000095451496 185368871 /nfs/dbraw/zinc/36/88/71/185368871.db2.gz XAXYYTNQMFLECA-CABCVRRESA-N 1 0 310.463 1.828 50 0 DDAARO O=C(C1CC1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095457027 185370315 /nfs/dbraw/zinc/37/03/15/185370315.db2.gz ZWDHUFLLEDICIR-GOSISDBHSA-N 1 0 313.445 1.815 50 0 DDAARO COc1ccc([C@@H](O)C[NH2+]Cc2ccnc(N(C)C)n2)cc1 ZINC000095462188 185370901 /nfs/dbraw/zinc/37/09/01/185370901.db2.gz NFEDQFWDRKZSRH-HNNXBMFYSA-N 1 0 302.378 1.374 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)C1 ZINC000097019605 185397921 /nfs/dbraw/zinc/39/79/21/185397921.db2.gz WFLUZRWMTRQLTL-HNNXBMFYSA-N 1 0 321.384 1.653 50 0 DDAARO CCC[NH+]1CCC(CNc2ccnc(N3CCOCC3)n2)CC1 ZINC000585085140 539556353 /nfs/dbraw/zinc/55/63/53/539556353.db2.gz JDKRZEMZDOUKCC-UHFFFAOYSA-N 1 0 319.453 1.847 50 0 DDAARO NC(=O)c1cnc(C2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)[nH]1 ZINC000685940992 539565367 /nfs/dbraw/zinc/56/53/67/539565367.db2.gz NDONRJVVBHKWQB-TZMCWYRMSA-N 1 0 306.410 1.239 50 0 DDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000071144998 190936489 /nfs/dbraw/zinc/93/64/89/190936489.db2.gz CSDQTNZLCZEEJY-QMMMGPOBSA-N 1 0 308.325 1.334 50 0 DDAARO COCc1nnc(C(=O)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000071757224 191025197 /nfs/dbraw/zinc/02/51/97/191025197.db2.gz VGVWFSVRJKYXLE-UHFFFAOYSA-N 1 0 308.382 1.307 50 0 DDAARO CC(C)[C@@H]1C[N@H+](CCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764358 191028189 /nfs/dbraw/zinc/02/81/89/191028189.db2.gz CJMIEADWOWGJJU-INIZCTEOSA-N 1 0 308.397 1.877 50 0 DDAARO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072129735 191045314 /nfs/dbraw/zinc/04/53/14/191045314.db2.gz NOJOUQKTEIAKRQ-DHPDLVEQSA-N 1 0 313.829 1.200 50 0 DDAARO CN(CC[NH+](C)C)C(=O)c1cn(Cc2ccccc2F)nn1 ZINC000072152558 191057241 /nfs/dbraw/zinc/05/72/41/191057241.db2.gz LXOFROVEGWEJGP-UHFFFAOYSA-N 1 0 305.357 1.099 50 0 DDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000072164333 191063533 /nfs/dbraw/zinc/06/35/33/191063533.db2.gz UEXIBPAFLOINMR-QGZVFWFLSA-N 1 0 314.389 1.159 50 0 DDAARO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+](C)C)o1 ZINC000072241070 191085371 /nfs/dbraw/zinc/08/53/71/191085371.db2.gz HBRBJXRAOZQKDJ-AWEZNQCLSA-N 1 0 307.394 1.147 50 0 DDAARO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000072277227 191098791 /nfs/dbraw/zinc/09/87/91/191098791.db2.gz MIRBJYKXBYOPAM-CQSZACIVSA-N 1 0 304.390 1.869 50 0 DDAARO O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072278677 191099414 /nfs/dbraw/zinc/09/94/14/191099414.db2.gz BAFKIFZWPMYDBT-IAGOWNOFSA-N 1 0 324.428 1.979 50 0 DDAARO COCCNC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576190 186279935 /nfs/dbraw/zinc/27/99/35/186279935.db2.gz SCIAQMFXHSHDBH-CYBMUJFWSA-N 1 0 301.456 1.150 50 0 DDAARO C[C@H](NC(=O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000000380913 352108821 /nfs/dbraw/zinc/10/88/21/352108821.db2.gz 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/nfs/dbraw/zinc/19/60/09/353196009.db2.gz HFQPQOASNDFYHE-LBPRGKRZSA-N 1 0 313.348 1.737 50 0 DDAARO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCc3ccncc3)C2)C1=O ZINC000076059029 353395553 /nfs/dbraw/zinc/39/55/53/353395553.db2.gz BRUZOLXEWSLIPB-PBHICJAKSA-N 1 0 316.405 1.276 50 0 DDAARO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCc3ccncc3)C2)C1=O ZINC000076059032 353395751 /nfs/dbraw/zinc/39/57/51/353395751.db2.gz BRUZOLXEWSLIPB-RHSMWYFYSA-N 1 0 316.405 1.276 50 0 DDAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CCn3cncn3)C2)o1 ZINC000078892003 353537832 /nfs/dbraw/zinc/53/78/32/353537832.db2.gz ICWZJQCDOWQWGA-CYBMUJFWSA-N 1 0 304.398 1.035 50 0 DDAARO COc1c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c(C)nn1C ZINC000097373165 353918863 /nfs/dbraw/zinc/91/88/63/353918863.db2.gz DSBMYIOINGWOGZ-CYBMUJFWSA-N 1 0 309.410 1.712 50 0 DDAARO CCC(=O)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942737 353921277 /nfs/dbraw/zinc/92/12/77/353921277.db2.gz LPVLVCZLGHIUIN-AEFFLSMTSA-N 1 0 302.418 1.981 50 0 DDAARO 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[NH3+][C@@H]1CCCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000157828499 197218786 /nfs/dbraw/zinc/21/87/86/197218786.db2.gz VVXHIRNXOASLFZ-ZBFHGGJFSA-N 1 0 304.390 1.808 50 0 DDAARO CCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000122196043 195416636 /nfs/dbraw/zinc/41/66/36/195416636.db2.gz GIYJJXFRTSSDKV-SWLSCSKDSA-N 1 0 324.446 1.822 50 0 DDAARO CN(C(=O)c1cc(N2CCCC2=O)ccc1F)C1CC[NH2+]CC1 ZINC000125516674 195758843 /nfs/dbraw/zinc/75/88/43/195758843.db2.gz USWYTNKJMREHSA-UHFFFAOYSA-N 1 0 319.380 1.777 50 0 DDAARO Cc1cc(C)cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000000420624 406648291 /nfs/dbraw/zinc/64/82/91/406648291.db2.gz CBTSFOFGBFOUIM-UHFFFAOYSA-N 1 0 303.391 1.989 50 0 DDAARO C[NH+](C)[C@@H](CNc1ncc(S(N)(=O)=O)s1)c1ccco1 ZINC000068658552 406656756 /nfs/dbraw/zinc/65/67/56/406656756.db2.gz JVKFWFHDTDBSHS-QMMMGPOBSA-N 1 0 316.408 1.098 50 0 DDAARO CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000002451393 406687199 /nfs/dbraw/zinc/68/71/99/406687199.db2.gz 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/nfs/dbraw/zinc/75/57/38/406755738.db2.gz VMZBRGGWLYGZPM-UHFFFAOYSA-N 1 0 314.407 1.093 50 0 DDAARO C[C@H]1C[N@H+](CC2(O)CCCCC2)CCN1Cc1nccn1C ZINC000069442906 406711476 /nfs/dbraw/zinc/71/14/76/406711476.db2.gz NNPQIKUAMFHKHN-HNNXBMFYSA-N 1 0 306.454 1.621 50 0 DDAARO CC[N@H+](CCNC(=O)CNC(=O)/C=C/c1ccccc1)C1CC1 ZINC000069451666 406715471 /nfs/dbraw/zinc/71/54/71/406715471.db2.gz KACDDXGBXGGHGM-DHZHZOJOSA-N 1 0 315.417 1.417 50 0 DDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc(F)ccc2F)n1 ZINC000003385865 406716463 /nfs/dbraw/zinc/71/64/63/406716463.db2.gz ROUJCWXUMXFBLI-UHFFFAOYSA-N 1 0 311.317 1.650 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)c1ccsc1 ZINC000069460111 406716644 /nfs/dbraw/zinc/71/66/44/406716644.db2.gz OAAPSDDHFMWWNV-ZDUSSCGKSA-N 1 0 324.450 1.258 50 0 DDAARO Cc1nc(CN2CCC[C@H]([NH2+]CCOCC(F)(F)F)C2)no1 ZINC000069872043 406784817 /nfs/dbraw/zinc/78/48/17/406784817.db2.gz CJTLHYCGALKQJK-NSHDSACASA-N 1 0 322.331 1.511 50 0 DDAARO c1nnc2ccc(N3CC[NH+](CCCc4ccccc4)CC3)nn12 ZINC000069878495 406786632 /nfs/dbraw/zinc/78/66/32/406786632.db2.gz HRTOLUVCZYQTHE-UHFFFAOYSA-N 1 0 322.416 1.879 50 0 DDAARO CCOCC[N@@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@H]1CC ZINC000069950693 406793473 /nfs/dbraw/zinc/79/34/73/406793473.db2.gz NYIATSKGGYEDRO-CQSZACIVSA-N 1 0 308.426 1.880 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccccc1-n1cncn1)CC2 ZINC000069929924 406794401 /nfs/dbraw/zinc/79/44/01/406794401.db2.gz LRVAVFGIMGFXKJ-CQSZACIVSA-N 1 0 309.377 1.272 50 0 DDAARO CC(C)[N@H+](C)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000012072528 406833323 /nfs/dbraw/zinc/83/33/23/406833323.db2.gz LJGUMYMDYBIMQK-GOSISDBHSA-N 1 0 304.434 1.923 50 0 DDAARO O=C(N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CCCO1 ZINC000071195899 406834586 /nfs/dbraw/zinc/83/45/86/406834586.db2.gz BWBOKGCPPUAIID-ZBFHGGJFSA-N 1 0 312.373 1.940 50 0 DDAARO CCc1ccc([C@@H](CNC(=O)c2nccnc2N)[NH+](C)C)cc1 ZINC000012949149 406855831 /nfs/dbraw/zinc/85/58/31/406855831.db2.gz QIEJPFUFTMVFAZ-CQSZACIVSA-N 1 0 313.405 1.654 50 0 DDAARO CCOc1ccccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000071867489 406857211 /nfs/dbraw/zinc/85/72/11/406857211.db2.gz FMZCJQSBZMKXNQ-CQSZACIVSA-N 1 0 305.422 1.451 50 0 DDAARO Cc1ccc(NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC000071871692 406858225 /nfs/dbraw/zinc/85/82/25/406858225.db2.gz WIMLFBSDOBCNGG-CQSZACIVSA-N 1 0 303.410 1.282 50 0 DDAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000013148895 406859262 /nfs/dbraw/zinc/85/92/62/406859262.db2.gz ASODUIFYPFQKBL-CABCVRRESA-N 1 0 323.389 1.094 50 0 DDAARO O=C(NCCCN1CCCC1=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072128434 406874085 /nfs/dbraw/zinc/87/40/85/406874085.db2.gz NMKUKLRTFQTUNF-CQSZACIVSA-N 1 0 315.417 1.506 50 0 DDAARO C/C=C(\C)C[NH+]1CCC2(CC[C@H](CNC(=O)COC)O2)CC1 ZINC000014880526 406877341 /nfs/dbraw/zinc/87/73/41/406877341.db2.gz DRDWBQHJMJACJN-XUYKZZHDSA-N 1 0 310.438 1.729 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)Nc2nnc(C)s2)c1 ZINC000072269807 406877888 /nfs/dbraw/zinc/87/78/88/406877888.db2.gz DKNFJOLRKWVUTA-UWVGGRQHSA-N 1 0 308.411 1.529 50 0 DDAARO CN(C)C(=O)CN1CCC[N@H+](CCSc2ccccc2)CC1 ZINC000072287548 406878428 /nfs/dbraw/zinc/87/84/28/406878428.db2.gz AFFWNIXBDLDYSH-UHFFFAOYSA-N 1 0 321.490 1.875 50 0 DDAARO O[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000072285230 406878456 /nfs/dbraw/zinc/87/84/56/406878456.db2.gz OVQXJQNHJVBPHO-ZDUSSCGKSA-N 1 0 315.339 1.993 50 0 DDAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000072299771 406879362 /nfs/dbraw/zinc/87/93/62/406879362.db2.gz IVEJRBONDNVZLL-TZMCWYRMSA-N 1 0 306.410 1.117 50 0 DDAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300745 406880919 /nfs/dbraw/zinc/88/09/19/406880919.db2.gz VQEXYIZVWOCXQF-PVXIVEMSSA-N 1 0 302.378 1.453 50 0 DDAARO CC(C)=CC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072475008 406883138 /nfs/dbraw/zinc/88/31/38/406883138.db2.gz GTSUHUWYYLFYJW-SFHVURJKSA-N 1 0 313.401 1.428 50 0 DDAARO FC(F)(F)c1nnc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000024659862 406892772 /nfs/dbraw/zinc/89/27/72/406892772.db2.gz ZVODZYOJMPLRGS-SECBINFHSA-N 1 0 312.299 1.428 50 0 DDAARO CC[NH+]1CCN(CCC(=O)N(C)[C@@H]2CCC[C@@H]2SC)CC1 ZINC000074195725 406905410 /nfs/dbraw/zinc/90/54/10/406905410.db2.gz LJJKQKYXXSIURJ-CABCVRRESA-N 1 0 313.511 1.757 50 0 DDAARO CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)n2ncnc2n1 ZINC000071811128 406845337 /nfs/dbraw/zinc/84/53/37/406845337.db2.gz UJXSZPFYXXRBFE-CQSZACIVSA-N 1 0 300.410 1.751 50 0 DDAARO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074917828 406918691 /nfs/dbraw/zinc/91/86/91/406918691.db2.gz SEHUPROPDHLLTD-UHFFFAOYSA-N 1 0 300.399 1.683 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1nnc2ccccn21 ZINC000043710965 407019684 /nfs/dbraw/zinc/01/96/84/407019684.db2.gz UIUFCSDCQNBBEU-CYBMUJFWSA-N 1 0 316.409 1.403 50 0 DDAARO C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)n1cncn1 ZINC000045882083 407050965 /nfs/dbraw/zinc/05/09/65/407050965.db2.gz YTSDJFULIVZGLA-FZMZJTMJSA-N 1 0 305.357 1.397 50 0 DDAARO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000078394377 407026143 /nfs/dbraw/zinc/02/61/43/407026143.db2.gz IZMLJRITHDUEPF-QGZVFWFLSA-N 1 0 319.424 1.957 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC(CO)CC1)c1cccs1 ZINC000044966404 407036547 /nfs/dbraw/zinc/03/65/47/407036547.db2.gz MZGMKXCELWOZOI-ZDUSSCGKSA-N 1 0 311.451 1.765 50 0 DDAARO COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+](C)C)c1 ZINC000045195579 407040852 /nfs/dbraw/zinc/04/08/52/407040852.db2.gz ABPLELGAKZMLLH-DOMZBBRYSA-N 1 0 317.393 1.267 50 0 DDAARO C[C@@H](C1CCN(C(=O)c2cscn2)CC1)[NH+]1CCN(C)CC1 ZINC000077287904 406983452 /nfs/dbraw/zinc/98/34/52/406983452.db2.gz MTGNAFYMKFOHJQ-ZDUSSCGKSA-N 1 0 322.478 1.631 50 0 DDAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000077521486 406994389 /nfs/dbraw/zinc/99/43/89/406994389.db2.gz MNHAGNBOBKGOLY-GOSISDBHSA-N 1 0 318.417 1.838 50 0 DDAARO Cc1nn(CCO)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000077519190 406994640 /nfs/dbraw/zinc/99/46/40/406994640.db2.gz AYDJVLXBFTXJER-UHFFFAOYSA-N 1 0 306.454 1.634 50 0 DDAARO CCn1cc(Br)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089366 406999501 /nfs/dbraw/zinc/99/95/01/406999501.db2.gz CTWLLQFKQBQXBZ-SECBINFHSA-N 1 0 302.216 1.950 50 0 DDAARO CC(=O)N1CCC(C(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000048174306 407091177 /nfs/dbraw/zinc/09/11/77/407091177.db2.gz NSUGIQAYABVJEW-UHFFFAOYSA-N 1 0 303.406 1.945 50 0 DDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCO1 ZINC000047579765 407076454 /nfs/dbraw/zinc/07/64/54/407076454.db2.gz UFVQTCZDXORQHE-KRWDZBQOSA-N 1 0 317.433 1.913 50 0 DDAARO COc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000089429354 407135216 /nfs/dbraw/zinc/13/52/16/407135216.db2.gz MTJVZWLBPUOVCU-CQSZACIVSA-N 1 0 304.394 1.470 50 0 DDAARO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)N1CCOCC1 ZINC000089540629 407138996 /nfs/dbraw/zinc/13/89/96/407138996.db2.gz GBMPIADZQSLTCG-HUUCEWRRSA-N 1 0 316.467 1.207 50 0 DDAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000089718306 407145627 /nfs/dbraw/zinc/14/56/27/407145627.db2.gz YUUAYZISOHOXFS-HNNXBMFYSA-N 1 0 306.410 1.991 50 0 DDAARO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000089780917 407149299 /nfs/dbraw/zinc/14/92/99/407149299.db2.gz VVLKVWJHLCISDW-DLBZAZTESA-N 1 0 313.401 1.839 50 0 DDAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000089937606 407159740 /nfs/dbraw/zinc/15/97/40/407159740.db2.gz ULAZCVGHCVPJLA-WFASDCNBSA-N 1 0 304.390 1.804 50 0 DDAARO CC(C)c1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[nH]n1 ZINC000053569708 407171151 /nfs/dbraw/zinc/17/11/51/407171151.db2.gz WLUMFIHGDKIGMG-UHFFFAOYSA-N 1 0 320.437 1.718 50 0 DDAARO Cn1cc(C[N@H+](C)CCC(=O)N2CCc3sccc3C2)cn1 ZINC000055899527 407207863 /nfs/dbraw/zinc/20/78/63/407207863.db2.gz PKLIIKMSYOAGPD-UHFFFAOYSA-N 1 0 318.446 1.888 50 0 DDAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccco3)cn2)CC1 ZINC000057676778 407217474 /nfs/dbraw/zinc/21/74/74/407217474.db2.gz DEBPTRJWKBNCLT-UHFFFAOYSA-N 1 0 314.389 1.747 50 0 DDAARO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC000095969338 407218685 /nfs/dbraw/zinc/21/86/85/407218685.db2.gz ZBFPXQRFUCLSJM-XJKSGUPXSA-N 1 0 318.417 1.910 50 0 DDAARO Cn1cc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)cn1 ZINC000096013743 407224145 /nfs/dbraw/zinc/22/41/45/407224145.db2.gz VJHNCXXROWJJOG-GOSISDBHSA-N 1 0 314.433 1.536 50 0 DDAARO Cc1nn(C)c2nc(NC3CCN(CC[NH+](C)C)CC3)sc12 ZINC000096160679 407241053 /nfs/dbraw/zinc/24/10/53/407241053.db2.gz LDWWXJMZPAMPDE-UHFFFAOYSA-N 1 0 322.482 1.776 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc2ccccc2[nH]1 ZINC000067514978 407276089 /nfs/dbraw/zinc/27/60/89/407276089.db2.gz KUNMDQHJPURYOG-CJNGLKHVSA-N 1 0 300.406 1.594 50 0 DDAARO O=C(C[NH+]1CCCCCC1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000067559993 407276433 /nfs/dbraw/zinc/27/64/33/407276433.db2.gz VCHJPMLPFKSFER-UHFFFAOYSA-N 1 0 302.378 1.348 50 0 DDAARO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1=COCCC1 ZINC000097081802 407278436 /nfs/dbraw/zinc/27/84/36/407278436.db2.gz AHKRKZCLTDDZJH-KRWDZBQOSA-N 1 0 316.401 1.564 50 0 DDAARO c1cc(CNN2CCOCC2)cc(OCC[NH+]2CCCCC2)c1 ZINC000067621477 407278691 /nfs/dbraw/zinc/27/86/91/407278691.db2.gz CINCVLXXNDQDMK-UHFFFAOYSA-N 1 0 319.449 1.888 50 0 DDAARO OCC[C@@]1(C[NH2+]C2CCN(c3nccs3)CC2)CCOC1 ZINC000097081083 407278855 /nfs/dbraw/zinc/27/88/55/407278855.db2.gz HFDWTGYJRPLKGF-HNNXBMFYSA-N 1 0 311.451 1.491 50 0 DDAARO Cc1nc(CCNc2nc(N)nc3c2CC[NH2+]C3)sc1C ZINC000067756698 407283425 /nfs/dbraw/zinc/28/34/25/407283425.db2.gz NAOJYMPEUWOPSQ-UHFFFAOYSA-N 1 0 304.423 1.432 50 0 DDAARO [NH3+][C@H](C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000097159044 407283434 /nfs/dbraw/zinc/28/34/34/407283434.db2.gz ULOGRIWIJAAGRE-KRWDZBQOSA-N 1 0 311.385 1.741 50 0 DDAARO C[NH+]1CCC(Cc2noc(CCc3nc(Cl)n[nH]3)n2)CC1 ZINC000067851891 407287017 /nfs/dbraw/zinc/28/70/17/407287017.db2.gz ACVBBDLVCXYWEC-UHFFFAOYSA-N 1 0 310.789 1.511 50 0 DDAARO CNC(=O)C(C)(C)[N@H+](C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067867787 407288391 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O=C(NCC1CC[NH+](Cc2ccoc2)CC1)c1cncnc1 ZINC000828202259 759537911 /nfs/dbraw/zinc/53/79/11/759537911.db2.gz UBMNPSOAAIVWNZ-UHFFFAOYSA-N 1 0 300.362 1.712 50 0 DDAARO C[C@@H](CCC(=O)N1CCN(CCCCO)CC1)[NH+]1CCCC1 ZINC000828747987 759765167 /nfs/dbraw/zinc/76/51/67/759765167.db2.gz WSNFZLHFEPECBY-INIZCTEOSA-N 1 0 311.470 1.168 50 0 DDAARO O=C([C@@H]1CCOC1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581775940 761697529 /nfs/dbraw/zinc/69/75/29/761697529.db2.gz CNEINIJQEFGBLX-MRXNPFEDSA-N 1 0 315.417 1.541 50 0 DDAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)[C@H]2CCCO2)C1 ZINC000581776135 761698049 /nfs/dbraw/zinc/69/80/49/761698049.db2.gz IRCWFCLNADCRQJ-QGZVFWFLSA-N 1 0 317.433 1.929 50 0 DDAARO CC[N@H+](C1CN(C(=O)c2ocnc2C)C1)C1CCN(C)CC1 ZINC000581799373 761707022 /nfs/dbraw/zinc/70/70/22/761707022.db2.gz UMSRHTZQXKNUQF-UHFFFAOYSA-N 1 0 306.410 1.224 50 0 DDAARO CCn1ccc(C(=O)N2CC([N@H+](CC)C3CCOCC3)C2)n1 ZINC000581794558 761713073 /nfs/dbraw/zinc/71/30/73/761713073.db2.gz GHEPSFWPEULWAQ-UHFFFAOYSA-N 1 0 306.410 1.228 50 0 DDAARO COCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)C[NH+](C)C)c1 ZINC000952868091 775597422 /nfs/dbraw/zinc/59/74/22/775597422.db2.gz BFRLJKFXTVCPIQ-LBPRGKRZSA-N 1 0 307.394 1.716 50 0 DDAARO COC[C@]1(O)CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000409420332 878183222 /nfs/dbraw/zinc/18/32/22/878183222.db2.gz AMABWOWGRSCGQK-INIZCTEOSA-N 1 0 306.406 1.604 50 0 DDAARO Cc1nn(C)c2nc(N3CCC([N@H+](C)CCO)CC3)sc12 ZINC000095497333 185374255 /nfs/dbraw/zinc/37/42/55/185374255.db2.gz UEZJTJJVPVLKSH-UHFFFAOYSA-N 1 0 309.439 1.231 50 0 DDAARO CC(C)[NH+]1CCC(CC(=O)NCc2nnc3n2CCCC3)CC1 ZINC000095507033 185375490 /nfs/dbraw/zinc/37/54/90/185375490.db2.gz AIHXMJJMYIMQEC-UHFFFAOYSA-N 1 0 319.453 1.741 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC2(CC1)OCCO2 ZINC000078926031 185129642 /nfs/dbraw/zinc/12/96/42/185129642.db2.gz CXENLMIYDZBGJT-AWEZNQCLSA-N 1 0 311.426 1.409 50 0 DDAARO COCCn1cc(CC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000079190744 185161212 /nfs/dbraw/zinc/16/12/12/185161212.db2.gz 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/nfs/dbraw/zinc/35/14/86/185351486.db2.gz VHLXYVCNNDHEIM-QWRGUYRKSA-N 1 0 311.455 1.097 50 0 DDAARO O=S1(=O)C[C@H](O)[C@@H]([N@@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000095404899 185355422 /nfs/dbraw/zinc/35/54/22/185355422.db2.gz QDIYIPLGOZMUCA-KBPBESRZSA-N 1 0 301.452 1.581 50 0 DDAARO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000095421711 185360871 /nfs/dbraw/zinc/36/08/71/185360871.db2.gz HWAKGGONBLQIDK-NEPJUHHUSA-N 1 0 322.434 1.740 50 0 DDAARO O[C@@H](Cn1cccn1)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000095442044 185366604 /nfs/dbraw/zinc/36/66/04/185366604.db2.gz OZRUNZMIAJKADE-KFWWJZLASA-N 1 0 311.451 1.231 50 0 DDAARO NC(=O)c1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccn1 ZINC000097095856 185409067 /nfs/dbraw/zinc/40/90/67/185409067.db2.gz WKHUXSFGSURFIG-OAHLLOKOSA-N 1 0 318.421 1.262 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000226817477 201787455 /nfs/dbraw/zinc/78/74/55/201787455.db2.gz PVNXWZKRMAZARY-LPBBDHJYSA-N 1 0 303.189 1.893 50 0 DDAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc(C)n2)c1=O ZINC000071746987 191020325 /nfs/dbraw/zinc/02/03/25/191020325.db2.gz VDHJYOYSXVTRAO-UHFFFAOYSA-N 1 0 315.421 1.359 50 0 DDAARO FC(F)(F)CCc1ccnc(NCCN2CC[NH2+]CC2)n1 ZINC000071749074 191021129 /nfs/dbraw/zinc/02/11/29/191021129.db2.gz NRXVNLGQJAXICJ-UHFFFAOYSA-N 1 0 303.332 1.289 50 0 DDAARO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072116074 191037338 /nfs/dbraw/zinc/03/73/38/191037338.db2.gz KSUKOBKNIXBVRA-UHFFFAOYSA-N 1 0 303.337 1.885 50 0 DDAARO CN(Cc1ccc2nsnc2c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000072154410 191060081 /nfs/dbraw/zinc/06/00/81/191060081.db2.gz WUPRTKASGMMLHU-LLVKDONJSA-N 1 0 306.391 1.028 50 0 DDAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cscn2)ncn1 ZINC000072276611 191098085 /nfs/dbraw/zinc/09/80/85/191098085.db2.gz ZVOQIEHYPNLQHD-GFCCVEGCSA-N 1 0 304.423 1.733 50 0 DDAARO CCn1ccnc1C[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000072276625 191098409 /nfs/dbraw/zinc/09/84/09/191098409.db2.gz XDTUXKIZNGTOLX-ZDUSSCGKSA-N 1 0 315.425 1.493 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COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000069529373 406728436 /nfs/dbraw/zinc/72/84/36/406728436.db2.gz HEUIYPDOELWKQN-UONOGXRCSA-N 1 0 306.406 1.902 50 0 DDAARO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000069811542 406776738 /nfs/dbraw/zinc/77/67/38/406776738.db2.gz NRGPXIMQSFUSTG-RYUDHWBXSA-N 1 0 300.399 1.887 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000069927756 406793377 /nfs/dbraw/zinc/79/33/77/406793377.db2.gz FVWJBIUUDQSIMW-OAHLLOKOSA-N 1 0 308.389 1.877 50 0 DDAARO CC(C)(O)C[NH+]1CCN(C(=O)CCOc2cccc(F)c2)CC1 ZINC000070021197 406804229 /nfs/dbraw/zinc/80/42/29/406804229.db2.gz HMGOEXKKSQDQIG-UHFFFAOYSA-N 1 0 324.396 1.510 50 0 DDAARO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070037097 406804258 /nfs/dbraw/zinc/80/42/58/406804258.db2.gz SBPQGXURJOIZMY-OAHLLOKOSA-N 1 0 300.406 1.371 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)n2cccn2)o1 ZINC000070040840 406806569 /nfs/dbraw/zinc/80/65/69/406806569.db2.gz UNGZLVATBBVKTB-KBPBESRZSA-N 1 0 304.394 1.982 50 0 DDAARO COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000071375641 406839598 /nfs/dbraw/zinc/83/95/98/406839598.db2.gz ASHBKPDNTWQQKW-UHFFFAOYSA-N 1 0 312.435 1.705 50 0 DDAARO COCCNC(=O)CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000012319573 406839719 /nfs/dbraw/zinc/83/97/19/406839719.db2.gz NQGULPGJKKXKEX-UHFFFAOYSA-N 1 0 305.422 1.836 50 0 DDAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070887584 406826354 /nfs/dbraw/zinc/82/63/54/406826354.db2.gz ZAXQFDRQXWRIAI-HOCLYGCPSA-N 1 0 310.438 1.657 50 0 DDAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)N1CCOCC1 ZINC000011818488 406830432 /nfs/dbraw/zinc/83/04/32/406830432.db2.gz CSXUYXGTTGGPBZ-HNNXBMFYSA-N 1 0 312.479 1.843 50 0 DDAARO [NH3+]C1(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)CC1 ZINC000071315372 406836981 /nfs/dbraw/zinc/83/69/81/406836981.db2.gz ILZYRUMIYMYHNO-UHFFFAOYSA-N 1 0 301.321 1.857 50 0 DDAARO C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012198277 406838479 /nfs/dbraw/zinc/83/84/79/406838479.db2.gz CSONBOXZMNGROF-LLVKDONJSA-N 1 0 312.391 1.178 50 0 DDAARO Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000012756570 406850730 /nfs/dbraw/zinc/85/07/30/406850730.db2.gz GHMHIMRICUQQMD-OAHLLOKOSA-N 1 0 322.453 1.149 50 0 DDAARO CCCCn1nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1=O ZINC000071874881 406857808 /nfs/dbraw/zinc/85/78/08/406857808.db2.gz ULLOYTJGVDUYKB-CQSZACIVSA-N 1 0 318.421 1.354 50 0 DDAARO O=C1CCc2cc(OCC[NH2+]CCn3cccn3)ccc2N1 ZINC000071879198 406859129 /nfs/dbraw/zinc/85/91/29/406859129.db2.gz YUJQWBQWBBJLPK-UHFFFAOYSA-N 1 0 300.362 1.436 50 0 DDAARO CC[C@H](Sc1ccccc1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000071895974 406864170 /nfs/dbraw/zinc/86/41/70/406864170.db2.gz VHMBQPOSOWIZSI-INIZCTEOSA-N 1 0 321.490 1.921 50 0 DDAARO CC[C@H](O)CN1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000072268888 406875737 /nfs/dbraw/zinc/87/57/37/406875737.db2.gz LDAJXPHLSFBRJO-HOTGVXAUSA-N 1 0 311.470 1.022 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014981604 406878322 /nfs/dbraw/zinc/87/83/22/406878322.db2.gz GAZDEMNOTCDXCK-OAHLLOKOSA-N 1 0 314.393 1.721 50 0 DDAARO Cc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000015065163 406878744 /nfs/dbraw/zinc/87/87/44/406878744.db2.gz WGWIWOISGYZIEQ-IAGOWNOFSA-N 1 0 318.417 1.027 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1Cc2ccccc2N1C(C)=O ZINC000015773077 406881427 /nfs/dbraw/zinc/88/14/27/406881427.db2.gz CYQWQCISDBSCJD-MRXNPFEDSA-N 1 0 303.406 1.422 50 0 DDAARO CN1c2ccccc2[C@]2(N=C(Nc3ccccc3)NC(=[NH2+])N2)C1=O ZINC000019325462 406885210 /nfs/dbraw/zinc/88/52/10/406885210.db2.gz LZWQYRFPWALJFL-KRWDZBQOSA-N 1 0 320.356 1.202 50 0 DDAARO O=c1[nH]c(=O)n(-c2ccccc2)c2c1CN(C1CCCC1)CN2 ZINC000020530622 406888088 /nfs/dbraw/zinc/88/80/88/406888088.db2.gz OCNZHOMWVMOPPM-UHFFFAOYSA-N 1 0 312.373 1.653 50 0 DDAARO CCCNc1nc(N2CC[NH+](CC)CC2)nc2c1cnn2C ZINC000021929726 406889277 /nfs/dbraw/zinc/88/92/77/406889277.db2.gz YBIZNBFLQLYLSN-UHFFFAOYSA-N 1 0 303.414 1.327 50 0 DDAARO CS(=O)(=O)c1cnc(-c2ccccn2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071639504 406842240 /nfs/dbraw/zinc/84/22/40/406842240.db2.gz VFFYEOMARSXYTM-LLVKDONJSA-N 1 0 318.402 1.409 50 0 DDAARO CC(C)[C@@H](CNC(=O)NCc1ccccn1)[NH+]1CCN(C)CC1 ZINC000071798613 406843688 /nfs/dbraw/zinc/84/36/88/406843688.db2.gz FRKDJPDPWKHPHM-MRXNPFEDSA-N 1 0 319.453 1.153 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cccc3c1OCO3)CC2 ZINC000075132783 406923262 /nfs/dbraw/zinc/92/32/62/406923262.db2.gz HIWJBZMUTGGAKZ-GFCCVEGCSA-N 1 0 300.362 1.667 50 0 DDAARO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000075718587 406940131 /nfs/dbraw/zinc/94/01/31/406940131.db2.gz LBPNVVDPCXPRIV-UONOGXRCSA-N 1 0 311.451 1.561 50 0 DDAARO CCOC(=O)C1=C(C[N@H+]([C@H](C)C2CC2)C2CC2)NC(=O)NC1 ZINC000031654879 406941665 /nfs/dbraw/zinc/94/16/65/406941665.db2.gz XTICTKHWYSXIMD-SNVBAGLBSA-N 1 0 307.394 1.379 50 0 DDAARO O=C(CN1CCCC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075876658 406943840 /nfs/dbraw/zinc/94/38/40/406943840.db2.gz XDMWVQOOJQUAMC-UHFFFAOYSA-N 1 0 315.417 1.390 50 0 DDAARO Cc1noc2nc(C)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000036614154 406980659 /nfs/dbraw/zinc/98/06/59/406980659.db2.gz KZOOPAMHJVFQMO-GFCCVEGCSA-N 1 0 300.362 1.760 50 0 DDAARO CCn1nc(C)cc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000077957708 407016527 /nfs/dbraw/zinc/01/65/27/407016527.db2.gz ZPELZPQECHJNPS-AWEZNQCLSA-N 1 0 309.410 1.725 50 0 DDAARO Cc1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)o1 ZINC000044952846 407035258 /nfs/dbraw/zinc/03/52/58/407035258.db2.gz LWTRGYJCZVCFRM-UHFFFAOYSA-N 1 0 314.389 1.665 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)cc1Cl ZINC000036907020 406984780 /nfs/dbraw/zinc/98/47/80/406984780.db2.gz HXBKCNXDYVNFRI-QOSJWCAFSA-N 1 0 303.189 1.893 50 0 DDAARO O[C@]1(CN2CCN(Cc3cccc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000077355960 406987075 /nfs/dbraw/zinc/98/70/75/406987075.db2.gz BWQLWELOYCPPEO-QGZVFWFLSA-N 1 0 323.868 1.572 50 0 DDAARO O=C(Cc1ccc(F)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436659 407101794 /nfs/dbraw/zinc/10/17/94/407101794.db2.gz CKJILZWQQWEIOO-INIZCTEOSA-N 1 0 306.381 1.283 50 0 DDAARO COc1ccc(C(=O)N2CCOC[C@H]2C[NH+](C)C)c(OC)c1 ZINC000085469819 407102522 /nfs/dbraw/zinc/10/25/22/407102522.db2.gz VYLLPUJICANEAF-GFCCVEGCSA-N 1 0 308.378 1.106 50 0 DDAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCCNC1=O)O[C@@H](C)C2 ZINC000085876845 407107578 /nfs/dbraw/zinc/10/75/78/407107578.db2.gz DPIPYWPGHOPPGS-SMDDNHRTSA-N 1 0 304.390 1.777 50 0 DDAARO CN1CCC([N@H+](CCO)Cc2ccc3c(c2)OCCO3)CC1 ZINC000089375233 407132718 /nfs/dbraw/zinc/13/27/18/407132718.db2.gz ZQFBJLXTDXLNHF-UHFFFAOYSA-N 1 0 306.406 1.346 50 0 DDAARO C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000089938922 407161042 /nfs/dbraw/zinc/16/10/42/407161042.db2.gz JTUBLUFGSNUSSJ-AWEZNQCLSA-N 1 0 300.406 1.259 50 0 DDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(Cl)n2)CC1 ZINC000096405913 407260831 /nfs/dbraw/zinc/26/08/31/407260831.db2.gz UBSODRQJTIDBDO-CYBMUJFWSA-N 1 0 324.856 1.738 50 0 DDAARO CCc1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056688509 407211025 /nfs/dbraw/zinc/21/10/25/407211025.db2.gz XWVNGZSQPKLYHU-UHFFFAOYSA-N 1 0 301.390 1.278 50 0 DDAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCc1cc(=O)[nH]cn1 ZINC000095375521 407211318 /nfs/dbraw/zinc/21/13/18/407211318.db2.gz WQVQAQOXKBTULB-DZGCQCFKSA-N 1 0 318.421 1.431 50 0 DDAARO C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCC[C@@H]3C[NH3+])ccc2O1 ZINC000095972639 407219299 /nfs/dbraw/zinc/21/92/99/407219299.db2.gz IDIIJUZCRGYDEB-GYSYKLTISA-N 1 0 310.419 1.416 50 0 DDAARO CN(C)c1ncc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000095984877 407220951 /nfs/dbraw/zinc/22/09/51/407220951.db2.gz UYQWCHGXMBLFFH-ZDUSSCGKSA-N 1 0 318.425 1.492 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](C)CN1CCCC1=O ZINC000065474703 407242880 /nfs/dbraw/zinc/24/28/80/407242880.db2.gz KGHCPKGTIZRVBE-GFCCVEGCSA-N 1 0 307.442 1.143 50 0 DDAARO COc1ccc(CN2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000102772079 407327281 /nfs/dbraw/zinc/32/72/81/407327281.db2.gz GHPHXMRQGOXPQZ-NWDGAFQWSA-N 1 0 312.416 1.344 50 0 DDAARO CCc1nc(C)ncc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000096436444 407265788 /nfs/dbraw/zinc/26/57/88/407265788.db2.gz INDDSAAMSQIEBT-CQSZACIVSA-N 1 0 320.437 1.170 50 0 DDAARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000096998319 407274960 /nfs/dbraw/zinc/27/49/60/407274960.db2.gz ADYZWCOGXLBVTI-KGLIPLIRSA-N 1 0 303.472 1.427 50 0 DDAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000067513779 407275498 /nfs/dbraw/zinc/27/54/98/407275498.db2.gz SDJIODFTDROTTM-KRWDZBQOSA-N 1 0 324.428 1.944 50 0 DDAARO COc1ccc([C@@H](C)[NH2+]C(CO)CO)c(Br)c1 ZINC000097034586 407275960 /nfs/dbraw/zinc/27/59/60/407275960.db2.gz JXKMFMSMQMDECH-MRVPVSSYSA-N 1 0 304.184 1.462 50 0 DDAARO CC[N@@H+]1CC[C@H](C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)C1 ZINC000067713833 407281593 /nfs/dbraw/zinc/28/15/93/407281593.db2.gz VJMMTRGXGNNFNW-LBPRGKRZSA-N 1 0 302.422 1.958 50 0 DDAARO Cc1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3ncccc3C)C2)[nH]1 ZINC000067714442 407281753 /nfs/dbraw/zinc/28/17/53/407281753.db2.gz MIWPBUAYGHCLMV-CQSZACIVSA-N 1 0 313.405 1.673 50 0 DDAARO Cc1n[nH]c(C)c1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000097160131 407284190 /nfs/dbraw/zinc/28/41/90/407284190.db2.gz XZEPOFYBZWHORM-UHFFFAOYSA-N 1 0 307.419 1.731 50 0 DDAARO [NH3+]CC(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067804920 407285514 /nfs/dbraw/zinc/28/55/14/407285514.db2.gz UVARESAEYIXPMA-UHFFFAOYSA-N 1 0 302.353 1.881 50 0 DDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ccc(C)c(C)c1 ZINC000067821765 407285648 /nfs/dbraw/zinc/28/56/48/407285648.db2.gz RAACQVNOSLAPBR-CVEARBPZSA-N 1 0 317.433 1.300 50 0 DDAARO COc1ncccc1C(=O)N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000067846737 407287225 /nfs/dbraw/zinc/28/72/25/407287225.db2.gz BMMUVQHTOSOPKK-AWEZNQCLSA-N 1 0 321.421 1.255 50 0 DDAARO COc1ccc(O)cc1C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)O)C1 ZINC000067920194 407290308 /nfs/dbraw/zinc/29/03/08/407290308.db2.gz 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/nfs/dbraw/zinc/79/12/78/354791278.db2.gz KZGWTGIYEHOEOX-AWEZNQCLSA-N 1 0 322.384 1.089 50 0 DDAARO C[C@@H](CCC(=O)NCCC1(O)CCCC1)[NH+]1CCN(C)CC1 ZINC000584887905 354791382 /nfs/dbraw/zinc/79/13/82/354791382.db2.gz IZSMLHGBKVPBSK-HNNXBMFYSA-N 1 0 311.470 1.214 50 0 DDAARO CCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000236896137 202058141 /nfs/dbraw/zinc/05/81/41/202058141.db2.gz UMPXGIQWHODEGR-BXUZGUMPSA-N 1 0 312.435 1.737 50 0 DDAARO CC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000237020467 202125167 /nfs/dbraw/zinc/12/51/67/202125167.db2.gz UMKMKIQGSKREQF-UHFFFAOYSA-N 1 0 320.798 1.014 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000178989745 198965244 /nfs/dbraw/zinc/96/52/44/198965244.db2.gz MTCPDRLEBFEZAH-SNVBAGLBSA-N 1 0 300.761 1.926 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000237320757 202229499 /nfs/dbraw/zinc/22/94/99/202229499.db2.gz ZJTQYBHPSHUTLX-GFCCVEGCSA-N 1 0 300.428 1.084 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000493717280 283454737 /nfs/dbraw/zinc/45/47/37/283454737.db2.gz FTKSOJBVOXAPOD-VSKVDJIOSA-N 1 0 302.374 1.811 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000237648325 202316767 /nfs/dbraw/zinc/31/67/67/202316767.db2.gz XUELXNLRXCMWMD-VIFPVBQESA-N 1 0 303.284 1.457 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CC[NH2+]1 ZINC000188476139 200252654 /nfs/dbraw/zinc/25/26/54/200252654.db2.gz LYVKQTWVSJYUSK-CZUORRHYSA-N 1 0 304.390 1.678 50 0 DDAARO Cc1nc([C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c2ccccc2F)no1 ZINC000237782964 202354635 /nfs/dbraw/zinc/35/46/35/202354635.db2.gz VCWFTDBKFVNHBJ-MISXGVKJSA-N 1 0 318.352 1.850 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1Br ZINC000195296805 201376166 /nfs/dbraw/zinc/37/61/66/201376166.db2.gz MFHIWRJKXCGFSU-QMMMGPOBSA-N 1 0 307.213 1.383 50 0 DDAARO CCn1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(OC)c3)C2)cn1 ZINC000091305946 193037333 /nfs/dbraw/zinc/03/73/33/193037333.db2.gz VEZNGDBUJMXDHZ-CVEARBPZSA-N 1 0 314.389 1.479 50 0 DDAARO Cc1c(CC[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cnn1C ZINC000091371538 193047483 /nfs/dbraw/zinc/04/74/83/193047483.db2.gz KTCNHAWQWGROCY-LLVKDONJSA-N 1 0 322.434 1.269 50 0 DDAARO C[NH+](C)CC(=O)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000091691451 193092608 /nfs/dbraw/zinc/09/26/08/193092608.db2.gz QFYVKORJPKWSKP-UHFFFAOYSA-N 1 0 304.438 1.951 50 0 DDAARO COc1ccc([C@@H]2CN(S(=O)(=O)C3CC3)C[C@H]2[NH+](C)C)cc1 ZINC000091745453 193100569 /nfs/dbraw/zinc/10/05/69/193100569.db2.gz NAAKNOUCJDWPBF-JKSUJKDBSA-N 1 0 324.446 1.517 50 0 DDAARO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1[nH]cnc1C)C2 ZINC000092021844 193143145 /nfs/dbraw/zinc/14/31/45/193143145.db2.gz OZPBNJKJOSYSHW-UONOGXRCSA-N 1 0 306.410 1.177 50 0 DDAARO CCc1ccc(C(=O)OC2CC[NH+](CC(=O)N(C)C)CC2)o1 ZINC000096410821 193623549 /nfs/dbraw/zinc/62/35/49/193623549.db2.gz QCZKKLJSJHSBBF-UHFFFAOYSA-N 1 0 308.378 1.551 50 0 DDAARO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000096412731 193625532 /nfs/dbraw/zinc/62/55/32/193625532.db2.gz XKGXGVWQRLFANB-CQSZACIVSA-N 1 0 318.417 1.926 50 0 DDAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000019913526 182163743 /nfs/dbraw/zinc/16/37/43/182163743.db2.gz YNPGHKOGXGCRIX-UHFFFAOYSA-N 1 0 306.381 1.897 50 0 DDAARO CCOc1ccc(C(=O)O[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000020266580 182201593 /nfs/dbraw/zinc/20/15/93/182201593.db2.gz ORJYUGXIZORXEC-AWEZNQCLSA-N 1 0 306.406 1.878 50 0 DDAARO Cc1nn(C)cc1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020909679 182253902 /nfs/dbraw/zinc/25/39/02/182253902.db2.gz FLFOMOUVQDLSNP-SFHVURJKSA-N 1 0 320.481 1.930 50 0 DDAARO C[C@H](CCc1ccccc1)[NH+]1CCN(CCOCCO)CC1 ZINC000022027667 182304534 /nfs/dbraw/zinc/30/45/34/182304534.db2.gz KPOKHFFEUVBRAG-QGZVFWFLSA-N 1 0 306.450 1.634 50 0 DDAARO CC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000023053349 182346293 /nfs/dbraw/zinc/34/62/93/182346293.db2.gz YGPMUQURWMKWGS-AWEZNQCLSA-N 1 0 304.390 1.675 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1 ZINC000023106619 182347305 /nfs/dbraw/zinc/34/73/05/182347305.db2.gz NGNWIHFAZCJMPT-GFCCVEGCSA-N 1 0 318.402 1.501 50 0 DDAARO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2cncn2)CC1 ZINC000156375710 284521125 /nfs/dbraw/zinc/52/11/25/284521125.db2.gz STVFVWMALGAGOO-QEJZJMRPSA-N 1 0 303.410 1.362 50 0 DDAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000037116612 182867413 /nfs/dbraw/zinc/86/74/13/182867413.db2.gz NSXMPLRLJWYJOX-SNVBAGLBSA-N 1 0 308.325 1.817 50 0 DDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000040596997 183107435 /nfs/dbraw/zinc/10/74/35/183107435.db2.gz NWJBKSILGIBWGO-SNVBAGLBSA-N 1 0 304.362 1.585 50 0 DDAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCCCO)cc1 ZINC000040721030 183123515 /nfs/dbraw/zinc/12/35/15/183123515.db2.gz HCWSJJWKJHDELF-UHFFFAOYSA-N 1 0 308.422 1.842 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)CCn1cncn1)c1cccc(F)c1 ZINC000041950055 183226777 /nfs/dbraw/zinc/22/67/77/183226777.db2.gz MAVXXJMWERATFQ-CQSZACIVSA-N 1 0 305.357 1.226 50 0 DDAARO O=C(CCc1ccccc1O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106519137 194222566 /nfs/dbraw/zinc/22/25/66/194222566.db2.gz PQMSKGJVBOKKQK-GJZGRUSLSA-N 1 0 304.390 1.304 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC(=O)N1 ZINC000058055811 184072097 /nfs/dbraw/zinc/07/20/97/184072097.db2.gz QIKDEHRWGBSHGR-STQMWFEESA-N 1 0 305.378 1.201 50 0 DDAARO COc1c(C[NH2+]CCN2CCc3ccccc3C2)c(C)nn1C ZINC000058393381 184112604 /nfs/dbraw/zinc/11/26/04/184112604.db2.gz RGAGSCPYAAUTRT-UHFFFAOYSA-N 1 0 314.433 1.885 50 0 DDAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000065140615 184311511 /nfs/dbraw/zinc/31/15/11/184311511.db2.gz INGNPJLRXJHBNQ-DZGCQCFKSA-N 1 0 311.385 1.940 50 0 DDAARO CCN(Cc1ccccc1)C(=O)CC[NH2+][C@H]1CCCCNC1=O ZINC000065387332 184333821 /nfs/dbraw/zinc/33/38/21/184333821.db2.gz WMIJAWFJPAMVHR-INIZCTEOSA-N 1 0 317.433 1.684 50 0 DDAARO O=C(C[NH2+]CCCN1CCOCC1)NC1CCCCCCC1 ZINC000065372946 184330631 /nfs/dbraw/zinc/33/06/31/184330631.db2.gz RESGDZZZKSPCKY-UHFFFAOYSA-N 1 0 311.470 1.527 50 0 DDAARO C[N@@H+]1CCCN(C(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000065417603 184341534 /nfs/dbraw/zinc/34/15/34/184341534.db2.gz FFBHFAKWDAEWEY-UHFFFAOYSA-N 1 0 314.393 1.114 50 0 DDAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](C)Cn1cccn1 ZINC000065491738 184353397 /nfs/dbraw/zinc/35/33/97/184353397.db2.gz KPLFJSQDEXPXEX-CYBMUJFWSA-N 1 0 304.442 1.984 50 0 DDAARO CCn1nccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119840971 195045875 /nfs/dbraw/zinc/04/58/75/195045875.db2.gz DJJNIIZVUOBEJU-ZDUSSCGKSA-N 1 0 300.410 1.820 50 0 DDAARO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000158228847 197254809 /nfs/dbraw/zinc/25/48/09/197254809.db2.gz DNNBRJRBDZCVKL-LSDHHAIUSA-N 1 0 308.447 1.537 50 0 DDAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000158012637 197234631 /nfs/dbraw/zinc/23/46/31/197234631.db2.gz XMJKTSJIKUZKEY-YGRLFVJLSA-N 1 0 320.368 1.213 50 0 DDAARO COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157916830 197226343 /nfs/dbraw/zinc/22/63/43/197226343.db2.gz UFJBGZYIYOFEHZ-GFCCVEGCSA-N 1 0 312.797 1.929 50 0 DDAARO CC(C)(C)CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155990332 197078817 /nfs/dbraw/zinc/07/88/17/197078817.db2.gz BCLVEYHFPPCVJJ-UHFFFAOYSA-N 1 0 302.484 1.617 50 0 DDAARO CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000074232096 257210974 /nfs/dbraw/zinc/21/09/74/257210974.db2.gz GZPYWWDYGRDCBE-YOEHRIQHSA-N 1 0 311.470 1.334 50 0 DDAARO Cc1nc(-c2cccc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)c2)n[nH]1 ZINC000237372376 257239779 /nfs/dbraw/zinc/23/97/79/257239779.db2.gz LOFJWQSKOHMNNI-ABAIWWIYSA-N 1 0 313.405 1.980 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000521394601 257240800 /nfs/dbraw/zinc/24/08/00/257240800.db2.gz AEXKRSNCYUNRAS-SNVBAGLBSA-N 1 0 309.801 1.151 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000125356103 195740207 /nfs/dbraw/zinc/74/02/07/195740207.db2.gz XHWNZOJFGQPACC-CZUORRHYSA-N 1 0 304.390 1.678 50 0 DDAARO Cn1c(=O)c2c(n(C)c1=O)NCN(CCC1=CCCCC1)C2 ZINC000000070194 406618910 /nfs/dbraw/zinc/61/89/10/406618910.db2.gz CYHQCKGOEAEUJW-UHFFFAOYSA-N 1 0 304.394 1.160 50 0 DDAARO COc1ccc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069135091 406684057 /nfs/dbraw/zinc/68/40/57/406684057.db2.gz QUUIZIIEIIWLRM-ZDUSSCGKSA-N 1 0 313.419 1.413 50 0 DDAARO O=C(NCCNc1cnccn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069351760 406701114 /nfs/dbraw/zinc/70/11/14/406701114.db2.gz FAFQZJGPRHNSIP-CQSZACIVSA-N 1 0 318.425 1.158 50 0 DDAARO COCC[NH+]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069627698 406746406 /nfs/dbraw/zinc/74/64/06/406746406.db2.gz CVYWGOJEEVPHEE-CYBMUJFWSA-N 1 0 316.405 1.248 50 0 DDAARO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000069656390 406752433 /nfs/dbraw/zinc/75/24/33/406752433.db2.gz PVHOJPOFPJQVGR-UHFFFAOYSA-N 1 0 310.825 1.798 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC000069455055 406714417 /nfs/dbraw/zinc/71/44/17/406714417.db2.gz ATFLHHAUVOHSCA-TZMCWYRMSA-N 1 0 305.426 1.736 50 0 DDAARO C[NH+](C)Cc1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000069841357 406778440 /nfs/dbraw/zinc/77/84/40/406778440.db2.gz ZXMBWFZLCNEHEC-UHFFFAOYSA-N 1 0 319.449 1.277 50 0 DDAARO O=c1[nH]c(CC[N@@H+]2CCC[C@@H]2Cn2cncn2)nc2ccccc12 ZINC000069842289 406779300 /nfs/dbraw/zinc/77/93/00/406779300.db2.gz DDLDSNXSJJYLDS-CYBMUJFWSA-N 1 0 324.388 1.222 50 0 DDAARO CC(C)c1nc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069947329 406794229 /nfs/dbraw/zinc/79/42/29/406794229.db2.gz REVYGFPZWYLNKH-ZDUSSCGKSA-N 1 0 310.442 1.718 50 0 DDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000069981781 406800501 /nfs/dbraw/zinc/80/05/01/406800501.db2.gz UNJXPAQWUUENPJ-CYBMUJFWSA-N 1 0 320.418 1.095 50 0 DDAARO CC(C)[C@@H](C(=O)N1CCN(C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000070011070 406802210 /nfs/dbraw/zinc/80/22/10/406802210.db2.gz WMLVPAGTLHSEKG-CVEARBPZSA-N 1 0 311.470 1.022 50 0 DDAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCO1 ZINC000070015909 406804827 /nfs/dbraw/zinc/80/48/27/406804827.db2.gz LWLMTXNLGSOAEY-ZACQAIPSSA-N 1 0 323.481 1.430 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N(C)Cc1ccsc1)CC2 ZINC000069952233 406796204 /nfs/dbraw/zinc/79/62/04/406796204.db2.gz CYIWPWVMYSESAM-ZDUSSCGKSA-N 1 0 319.434 1.211 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)CC2 ZINC000069952182 406796970 /nfs/dbraw/zinc/79/69/70/406796970.db2.gz AVQWUGKAFZMDBC-FZMZJTMJSA-N 1 0 308.332 1.503 50 0 DDAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000011814348 406830056 /nfs/dbraw/zinc/83/00/56/406830056.db2.gz QAJQTTHESUNMKN-HNNXBMFYSA-N 1 0 306.406 1.058 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000071145000 406833590 /nfs/dbraw/zinc/83/35/90/406833590.db2.gz CSDQTNZLCZEEJY-MRVPVSSYSA-N 1 0 308.325 1.334 50 0 DDAARO C[NH+](C)[C@H]1CCN(c2ccnc(C(=O)NCc3ccco3)c2)C1 ZINC000071415529 406838280 /nfs/dbraw/zinc/83/82/80/406838280.db2.gz ZIARKKRIGZKWHF-AWEZNQCLSA-N 1 0 314.389 1.745 50 0 DDAARO COCCC[NH2+]Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000012433373 406845937 /nfs/dbraw/zinc/84/59/37/406845937.db2.gz RXZRHPFPUKEYJE-UHFFFAOYSA-N 1 0 316.405 1.696 50 0 DDAARO CC(C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)n1cncn1 ZINC000071819687 406846121 /nfs/dbraw/zinc/84/61/21/406846121.db2.gz ZBDLZUKGDMXQPC-HNNXBMFYSA-N 1 0 314.393 1.219 50 0 DDAARO C[C@H](C(=O)Nc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012525008 406847146 /nfs/dbraw/zinc/84/71/46/406847146.db2.gz TVGULLINNCHXAV-CHWSQXEVSA-N 1 0 318.421 1.277 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)CC1 ZINC000071825037 406847593 /nfs/dbraw/zinc/84/75/93/406847593.db2.gz HJLXMYATJGTXNY-CQSZACIVSA-N 1 0 319.380 1.628 50 0 DDAARO O=C1NCCN1C1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000071856517 406854100 /nfs/dbraw/zinc/85/41/00/406854100.db2.gz PJNYRZQUIROIJF-JOCHJYFZSA-N 1 0 321.446 1.284 50 0 DDAARO CCOCCN1CC[N@H+](CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000071864801 406855617 /nfs/dbraw/zinc/85/56/17/406855617.db2.gz RNQGUDIBNPDGNB-HNNXBMFYSA-N 1 0 311.470 1.478 50 0 DDAARO CC1CC[NH+](C[C@H](O)CN2CCc3c(ncn3C3CC3)C2)CC1 ZINC000071877065 406860158 /nfs/dbraw/zinc/86/01/58/406860158.db2.gz PGMSTBSVYYFGHF-INIZCTEOSA-N 1 0 318.465 1.669 50 0 DDAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccco3)cn2)CC1 ZINC000014901435 406877611 /nfs/dbraw/zinc/87/76/11/406877611.db2.gz BPBTUMSPUHTYHT-UHFFFAOYSA-N 1 0 314.389 1.998 50 0 DDAARO C[NH+]1CCC(O)(CNC(=O)c2ncoc2-c2ccco2)CC1 ZINC000072310396 406880713 /nfs/dbraw/zinc/88/07/13/406880713.db2.gz FJKFWTIQCFZCTO-UHFFFAOYSA-N 1 0 305.334 1.121 50 0 DDAARO CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000074536489 406914794 /nfs/dbraw/zinc/91/47/94/406914794.db2.gz FAAQCGAEYGTMAW-AWEZNQCLSA-N 1 0 307.442 1.775 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125868 406922420 /nfs/dbraw/zinc/92/24/20/406922420.db2.gz RDOYIKOCNPJNPV-LBPRGKRZSA-N 1 0 315.373 1.849 50 0 DDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000031288134 406938839 /nfs/dbraw/zinc/93/88/39/406938839.db2.gz MXWMDRMJBJVKSC-QGZVFWFLSA-N 1 0 317.433 1.494 50 0 DDAARO Cc1csc2c1ncn(CC[N@@H+]1CCC[C@H](CO)C1)c2=O ZINC000032586980 406950541 /nfs/dbraw/zinc/95/05/41/406950541.db2.gz CENIBYKOVXGTAQ-LBPRGKRZSA-N 1 0 307.419 1.471 50 0 DDAARO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C(N)=O)CC1 ZINC000032758170 406952782 /nfs/dbraw/zinc/95/27/82/406952782.db2.gz GDWGYQZXSFKWNA-BHPKHCPMSA-N 1 0 309.454 1.513 50 0 DDAARO CC(C)N(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000033032485 406958693 /nfs/dbraw/zinc/95/86/93/406958693.db2.gz LDHMWKBBPVGCBG-UHFFFAOYSA-N 1 0 307.369 1.108 50 0 DDAARO O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000043707773 407019956 /nfs/dbraw/zinc/01/99/56/407019956.db2.gz ISIQRUXUZPYDNV-LBPRGKRZSA-N 1 0 303.189 1.641 50 0 DDAARO COc1cccc([C@H](CNC(=O)Cn2cccn2)[NH+](C)C)c1 ZINC000044896913 407031961 /nfs/dbraw/zinc/03/19/61/407031961.db2.gz DPERUAGYSSRAEY-HNNXBMFYSA-N 1 0 302.378 1.311 50 0 DDAARO CS[C@H](C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048265591 407093576 /nfs/dbraw/zinc/09/35/76/407093576.db2.gz LZWPPGVDSANFDP-GFCCVEGCSA-N 1 0 308.451 1.201 50 0 DDAARO CNC(=O)[C@@H](C)Cn1ccnc1-c1cccc(C[NH+](C)C)c1 ZINC000082098525 407080847 /nfs/dbraw/zinc/08/08/47/407080847.db2.gz JEHCTRVKLNQDBG-ZDUSSCGKSA-N 1 0 300.406 1.994 50 0 DDAARO Nc1cc[nH+]cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000082311701 407081188 /nfs/dbraw/zinc/08/11/88/407081188.db2.gz CFABDPYLHJCPIC-UHFFFAOYSA-N 1 0 300.337 1.765 50 0 DDAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946337 407125027 /nfs/dbraw/zinc/12/50/27/407125027.db2.gz KDUZVSLPTWKVPH-CQSZACIVSA-N 1 0 323.437 1.738 50 0 DDAARO CC(C)C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000049970590 407126345 /nfs/dbraw/zinc/12/63/45/407126345.db2.gz JKGRBDVWNSWSLR-UHFFFAOYSA-N 1 0 300.410 1.436 50 0 DDAARO Nc1nccnc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393500 407132801 /nfs/dbraw/zinc/13/28/01/407132801.db2.gz JJSVZIOTVZNOJQ-UHFFFAOYSA-N 1 0 312.377 1.100 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000089414208 407133633 /nfs/dbraw/zinc/13/36/33/407133633.db2.gz BQDYLPLEHRVFPH-GJZGRUSLSA-N 1 0 306.406 1.858 50 0 DDAARO Cc1cccc(C)c1OCCNC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000089688876 407144137 /nfs/dbraw/zinc/14/41/37/407144137.db2.gz IVJIJGZNBRVYMS-INIZCTEOSA-N 1 0 319.449 1.434 50 0 DDAARO CCOc1ccc(CN(CCOC)C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000055061149 407194171 /nfs/dbraw/zinc/19/41/71/407194171.db2.gz UJTRSSFBNOANNV-OAHLLOKOSA-N 1 0 306.406 1.670 50 0 DDAARO O=C(CC[NH+]1CCCCCCC1)NCCSc1c[nH]nn1 ZINC000055385252 407202146 /nfs/dbraw/zinc/20/21/46/407202146.db2.gz KIBJJQYNUFDGIT-UHFFFAOYSA-N 1 0 311.455 1.669 50 0 DDAARO CCCn1nc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1=O ZINC000055538438 407204410 /nfs/dbraw/zinc/20/44/10/407204410.db2.gz XVYNFEHJVFCOQN-CYBMUJFWSA-N 1 0 306.410 1.115 50 0 DDAARO CCc1ncc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000095366277 407209551 /nfs/dbraw/zinc/20/95/51/407209551.db2.gz OMXZNCUKSPIWNN-UHFFFAOYSA-N 1 0 320.462 1.692 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000095376384 407210544 /nfs/dbraw/zinc/21/05/44/407210544.db2.gz YYVBUFGXAXUENY-MRXNPFEDSA-N 1 0 305.426 1.353 50 0 DDAARO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000095961898 407217722 /nfs/dbraw/zinc/21/77/22/407217722.db2.gz FFHTWVRAZBBUQP-CQSZACIVSA-N 1 0 324.446 1.726 50 0 DDAARO Cc1cccc(C2(C[NH2+][C@H](C)C(=O)NC(N)=O)CCCC2)c1 ZINC000058342341 407220653 /nfs/dbraw/zinc/22/06/53/407220653.db2.gz YUUFWHOUKINJTN-CYBMUJFWSA-N 1 0 303.406 1.980 50 0 DDAARO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000095985663 407221020 /nfs/dbraw/zinc/22/10/20/407221020.db2.gz ABTPHDUYPADWOJ-ZDUSSCGKSA-N 1 0 306.414 1.347 50 0 DDAARO COc1cccc(C[NH2+]CC(=O)NC(=O)NC2CCCC2)c1 ZINC000058373174 407221132 /nfs/dbraw/zinc/22/11/32/407221132.db2.gz XKBYIVIUMVPSQT-UHFFFAOYSA-N 1 0 305.378 1.553 50 0 DDAARO CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000096009708 407223535 /nfs/dbraw/zinc/22/35/35/407223535.db2.gz UJUSIFSNVDMQBB-ZFWWWQNUSA-N 1 0 309.454 1.480 50 0 DDAARO COc1ccccc1C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000066894688 407262555 /nfs/dbraw/zinc/26/25/55/407262555.db2.gz BZXFICDXHFKUTR-QWHCGFSZSA-N 1 0 319.405 1.533 50 0 DDAARO Cc1nnc(-c2nnc(N3CC[NH+](C)CC3)c3ccccc32)o1 ZINC000065258111 407241525 /nfs/dbraw/zinc/24/15/25/407241525.db2.gz ABXMWUGRHKNFMP-UHFFFAOYSA-N 1 0 310.361 1.740 50 0 DDAARO COc1cc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1 ZINC000065383045 407242724 /nfs/dbraw/zinc/24/27/24/407242724.db2.gz DAMGUDJRPOHVIM-BETUJISGSA-N 1 0 306.410 1.563 50 0 DDAARO O=C(Cc1cscn1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096161218 407242854 /nfs/dbraw/zinc/24/28/54/407242854.db2.gz BPHMOSDAMVBVPJ-UHFFFAOYSA-N 1 0 311.476 1.725 50 0 DDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccccn3)CC2)CCO1 ZINC000066396112 407250469 /nfs/dbraw/zinc/25/04/69/407250469.db2.gz KVOYDPVFDTZZEV-NFAHFFEMSA-N 1 0 315.417 1.807 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccccn3)CC2)CCO1 ZINC000066396111 407250511 /nfs/dbraw/zinc/25/05/11/407250511.db2.gz KVOYDPVFDTZZEV-LLYBFZRZSA-N 1 0 315.417 1.807 50 0 DDAARO CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000096424590 407263939 /nfs/dbraw/zinc/26/39/39/407263939.db2.gz TXMJSOBTPZLLMX-QGZVFWFLSA-N 1 0 317.433 1.799 50 0 DDAARO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C(C)(CO)CO ZINC000096501158 407273178 /nfs/dbraw/zinc/27/31/78/407273178.db2.gz PFOWJJCRXVLJQY-UHFFFAOYSA-N 1 0 317.311 1.425 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2cc(C)oc21 ZINC000067472802 407274589 /nfs/dbraw/zinc/27/45/89/407274589.db2.gz KDRHQXJYUFOPSK-JSGCOSHPSA-N 1 0 315.373 1.419 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(Cl)cc3)nn2)C[NH2+]1 ZINC000067472613 407274942 /nfs/dbraw/zinc/27/49/42/407274942.db2.gz GHCFKOVTWMQMMZ-NEPJUHHUSA-N 1 0 305.769 1.248 50 0 DDAARO O=C(NC[C@@H]1CC[N@@H+](C2CCOCC2)C1)C(=O)c1ccco1 ZINC000067541385 407275575 /nfs/dbraw/zinc/27/55/75/407275575.db2.gz YPQVKGYSGWKPKF-LBPRGKRZSA-N 1 0 306.362 1.079 50 0 DDAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000097037643 407276214 /nfs/dbraw/zinc/27/62/14/407276214.db2.gz LVVOOORTGFFHHY-ZDUSSCGKSA-N 1 0 309.410 1.719 50 0 DDAARO Cc1nc(C[NH3+])cc(NCCc2nc(-c3cccnc3)no2)n1 ZINC000067675582 407279466 /nfs/dbraw/zinc/27/94/66/407279466.db2.gz PHYUWWJQUYJNPZ-UHFFFAOYSA-N 1 0 311.349 1.343 50 0 DDAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000097095496 407279502 /nfs/dbraw/zinc/27/95/02/407279502.db2.gz VSLLBZRVGUPLKS-INIZCTEOSA-N 1 0 314.433 1.894 50 0 DDAARO C[N@@H+]1CC[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000067712676 407281655 /nfs/dbraw/zinc/28/16/55/407281655.db2.gz GMWXMBAHMRFRDE-OAHLLOKOSA-N 1 0 312.410 1.932 50 0 DDAARO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000097164564 407285125 /nfs/dbraw/zinc/28/51/25/407285125.db2.gz DAQNYJMNDHMDQK-QMMMGPOBSA-N 1 0 305.304 1.957 50 0 DDAARO CCc1nnsc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067804145 407285489 /nfs/dbraw/zinc/28/54/89/407285489.db2.gz VWVZLWIWJXEKLG-NSHDSACASA-N 1 0 320.418 1.945 50 0 DDAARO Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3nnnn3C3CC3)C2)c1 ZINC000097200771 407286821 /nfs/dbraw/zinc/28/68/21/407286821.db2.gz IJYKVTOPIHSBCO-ZDUSSCGKSA-N 1 0 313.409 1.645 50 0 DDAARO CCCOc1c(CNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)cccc1OC ZINC000067881794 407288954 /nfs/dbraw/zinc/28/89/54/407288954.db2.gz JQHFNGFXGXFIPG-KBPBESRZSA-N 1 0 321.421 1.132 50 0 DDAARO OC[C@H](O)C[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067935171 407290933 /nfs/dbraw/zinc/29/09/33/407290933.db2.gz GKBRCQGVFDSFMI-CQSZACIVSA-N 1 0 323.396 1.941 50 0 DDAARO O=C1NC(=O)[C@](CCCc2ccccc2)(C2CC[NH2+]CC2)N1 ZINC000067974820 407293213 /nfs/dbraw/zinc/29/32/13/407293213.db2.gz MTXAESIDWPFKID-KRWDZBQOSA-N 1 0 301.390 1.587 50 0 DDAARO CNC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C(=O)OC)c1 ZINC000067978790 407293248 /nfs/dbraw/zinc/29/32/48/407293248.db2.gz BIJGANGLQHKBHA-CQSZACIVSA-N 1 0 306.362 1.062 50 0 DDAARO COCCN(C(=O)c1cnc(C(C)C)nc1)C1CC[NH+](C)CC1 ZINC000097468539 407298254 /nfs/dbraw/zinc/29/82/54/407298254.db2.gz ANLCXBWUQOWTMJ-UHFFFAOYSA-N 1 0 320.437 1.783 50 0 DDAARO O=C(c1cccc(F)c1)N1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097675461 407301391 /nfs/dbraw/zinc/30/13/91/407301391.db2.gz HIGGAPWWNAGGGF-AWEZNQCLSA-N 1 0 306.381 1.650 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1Cl ZINC000123887103 407341545 /nfs/dbraw/zinc/34/15/45/407341545.db2.gz NRADRBMDSCZKIO-SECBINFHSA-N 1 0 306.790 1.757 50 0 DDAARO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](O)C1 ZINC000106819141 407361497 /nfs/dbraw/zinc/36/14/97/407361497.db2.gz HFZXFTICNIOPHE-NVXWUHKLSA-N 1 0 317.433 1.180 50 0 DDAARO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@H]1CCOC1 ZINC000108125114 407382273 /nfs/dbraw/zinc/38/22/73/407382273.db2.gz AEWJWNOJRZRIBF-LSDHHAIUSA-N 1 0 302.418 1.928 50 0 DDAARO Cn1c2ccccc2cc(C[N@@H+]2CCC[C@](O)(CO)CC2)c1=O ZINC000215494529 407484690 /nfs/dbraw/zinc/48/46/90/407484690.db2.gz QXBIGJGLLDSXBI-GOSISDBHSA-N 1 0 316.401 1.248 50 0 DDAARO CCN1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CCCO)CC2 ZINC000257189085 407487049 /nfs/dbraw/zinc/48/70/49/407487049.db2.gz HOEYNPKYTKINLX-AWEZNQCLSA-N 1 0 308.426 1.609 50 0 DDAARO O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1CO ZINC000257189009 407488452 /nfs/dbraw/zinc/48/84/52/407488452.db2.gz HBOPVCRGHLAMIK-XHDPSFHLSA-N 1 0 310.344 1.284 50 0 DDAARO Cc1cc(N2CCN(C(=O)c3ncccc3O)CC2)cc(C)[nH+]1 ZINC000216417599 407494754 /nfs/dbraw/zinc/49/47/54/407494754.db2.gz JQTBOFGZOWAKJS-UHFFFAOYSA-N 1 0 312.373 1.761 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C(=O)NC1CC1 ZINC000253413877 407441524 /nfs/dbraw/zinc/44/15/24/407441524.db2.gz VXFRMPUXGUWVHF-SWLSCSKDSA-N 1 0 324.371 1.938 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000178669766 407541115 /nfs/dbraw/zinc/54/11/15/407541115.db2.gz VNYPWIVNROVJQE-INIZCTEOSA-N 1 0 317.433 1.624 50 0 DDAARO O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000152023370 407546617 /nfs/dbraw/zinc/54/66/17/407546617.db2.gz NMRRPYYKNPBDNM-PBHICJAKSA-N 1 0 312.369 1.818 50 0 DDAARO CN(C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1cnn(C)c1 ZINC000225733103 407604566 /nfs/dbraw/zinc/60/45/66/407604566.db2.gz OYGNPZNNPOUWOF-HZPDHXFCSA-N 1 0 306.454 1.962 50 0 DDAARO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000229316739 407658787 /nfs/dbraw/zinc/65/87/87/407658787.db2.gz PZORKAFMAAMXIL-ZYHUDNBSSA-N 1 0 318.352 1.929 50 0 DDAARO COc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ncn1 ZINC000182133363 306702730 /nfs/dbraw/zinc/70/27/30/306702730.db2.gz FDNKTWBVNXOXLD-LBPRGKRZSA-N 1 0 305.382 1.577 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000237683157 407834295 /nfs/dbraw/zinc/83/42/95/407834295.db2.gz CVXUYQJEOYSYMU-PMPSAXMXSA-N 1 0 309.454 1.088 50 0 DDAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000237968007 407857888 /nfs/dbraw/zinc/85/78/88/407857888.db2.gz MAMCOILEXHHDTM-LBPRGKRZSA-N 1 0 301.346 1.053 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000238056576 407877174 /nfs/dbraw/zinc/87/71/74/407877174.db2.gz BJOGSTKKENVMTD-AWEZNQCLSA-N 1 0 308.809 1.948 50 0 DDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000134163184 407888049 /nfs/dbraw/zinc/88/80/49/407888049.db2.gz CPQYWRWITLBHBF-LSDHHAIUSA-N 1 0 316.467 1.230 50 0 DDAARO CN1C[C@@]2(CCC[N@H+](CCC(=O)Nc3cccnc3)C2)OC1=O ZINC000243893724 407922255 /nfs/dbraw/zinc/92/22/55/407922255.db2.gz ATGRKHKVGNFEAE-MRXNPFEDSA-N 1 0 318.377 1.327 50 0 DDAARO CC(=O)c1ccc(N2CC[NH+](CCCn3cnnn3)CC2)cc1 ZINC000244626498 407928271 /nfs/dbraw/zinc/92/82/71/407928271.db2.gz FMVDCYXIHPTPQD-UHFFFAOYSA-N 1 0 314.393 1.088 50 0 DDAARO Cn1c(CN2CCC(c3cc[nH]n3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244691680 407930240 /nfs/dbraw/zinc/93/02/40/407930240.db2.gz JHCWETUVGHPGKM-BETUJISGSA-N 1 0 315.425 1.123 50 0 DDAARO CN(Cc1cnc2ccccn12)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244647100 407931640 /nfs/dbraw/zinc/93/16/40/407931640.db2.gz GVCGVDSEWCYFAY-JOCQHMNTSA-N 1 0 308.389 1.965 50 0 DDAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000262812769 407942723 /nfs/dbraw/zinc/94/27/23/407942723.db2.gz YMOOPDBEQHUVFJ-CHWSQXEVSA-N 1 0 319.430 1.914 50 0 DDAARO COCc1nc(NCc2cnn(C)c2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244866482 407942747 /nfs/dbraw/zinc/94/27/47/407942747.db2.gz VWXMSNKELRINHZ-HAQNSBGRSA-N 1 0 302.382 1.173 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(COC)ncn1 ZINC000246077295 408135281 /nfs/dbraw/zinc/13/52/81/408135281.db2.gz UJFXYOQNIKIOMK-KGLIPLIRSA-N 1 0 319.409 1.714 50 0 DDAARO O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000246206840 408176089 /nfs/dbraw/zinc/17/60/89/408176089.db2.gz FMEUCQZGPYPTDY-DZGCQCFKSA-N 1 0 305.397 1.910 50 0 DDAARO CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000150899352 408221345 /nfs/dbraw/zinc/22/13/45/408221345.db2.gz MCZMFMMDWBCAQZ-WDEREUQCSA-N 1 0 318.295 1.266 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000247813233 408511177 /nfs/dbraw/zinc/51/11/77/408511177.db2.gz VNEGAGCMQMUXFN-CABCVRRESA-N 1 0 311.470 1.212 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000184757402 408682335 /nfs/dbraw/zinc/68/23/35/408682335.db2.gz XZEWZXPLQVUIRI-UHFFFAOYSA-N 1 0 306.391 1.963 50 0 DDAARO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H]1C ZINC000252486807 408798268 /nfs/dbraw/zinc/79/82/68/408798268.db2.gz NYBXAGWODSEKAK-RDBSUJKOSA-N 1 0 304.456 1.063 50 0 DDAARO Cc1cccc(OCCNC(=O)[C@H](C)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000252511613 408801775 /nfs/dbraw/zinc/80/17/75/408801775.db2.gz IQMCAZNUOLWRKX-CVEARBPZSA-N 1 0 319.449 1.514 50 0 DDAARO C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)C1 ZINC000252537738 408804631 /nfs/dbraw/zinc/80/46/31/408804631.db2.gz MERAEBLLUUFBAA-KKUMJFAQSA-N 1 0 318.421 1.625 50 0 DDAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccncc2)[C@H](C)C1 ZINC000252676242 408807596 /nfs/dbraw/zinc/80/75/96/408807596.db2.gz WLZZYXYOCXPUFV-UKRRQHHQSA-N 1 0 311.451 1.620 50 0 DDAARO Cc1ccc(F)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1 ZINC000252677516 408808721 /nfs/dbraw/zinc/80/87/21/408808721.db2.gz YZJXJVDFJMVJAS-IUODEOHRSA-N 1 0 314.426 1.894 50 0 DDAARO CN(C)c1noc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000249635964 408752579 /nfs/dbraw/zinc/75/25/79/408752579.db2.gz WNTDWZZXCYAUBK-GXTWGEPZSA-N 1 0 305.426 1.584 50 0 DDAARO Cn1ncc2c1nccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283418908 409152940 /nfs/dbraw/zinc/15/29/40/409152940.db2.gz AQUXEFBQONDOBC-CYBMUJFWSA-N 1 0 301.394 1.127 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)C1 ZINC000408159218 164246575 /nfs/dbraw/zinc/24/65/75/164246575.db2.gz OLSIUTNBCOLWQN-KBPBESRZSA-N 1 0 323.437 1.455 50 0 DDAARO C[C@H](NC(=O)CN1CCC[N@H+](C)CC1)c1cn2ccsc2n1 ZINC000299778041 410620215 /nfs/dbraw/zinc/62/02/15/410620215.db2.gz GFQTUGFJSWDATJ-LBPRGKRZSA-N 1 0 321.450 1.211 50 0 DDAARO COc1cccc(CCNC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)c1 ZINC000299787303 410628757 /nfs/dbraw/zinc/62/87/57/410628757.db2.gz WBYATWVITDFGHQ-MRXNPFEDSA-N 1 0 319.449 1.380 50 0 DDAARO Cc1nn[nH]c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299797426 410636179 /nfs/dbraw/zinc/63/61/79/410636179.db2.gz OXJMDXWADMMIJG-UHFFFAOYSA-N 1 0 313.405 1.507 50 0 DDAARO c1nnn2c1CO[C@@H]1CC[N@@H+](Cc3cccc4nonc43)C[C@@H]12 ZINC000299799223 410637926 /nfs/dbraw/zinc/63/79/26/410637926.db2.gz QKPQLLCBBSZSNT-UONOGXRCSA-N 1 0 312.333 1.160 50 0 DDAARO Cc1scnc1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299799342 410639419 /nfs/dbraw/zinc/63/94/19/410639419.db2.gz RQPCUCUCKPDTIH-XRGAULLZSA-N 1 0 324.446 1.440 50 0 DDAARO Cc1ccccc1OCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129665011 196065956 /nfs/dbraw/zinc/06/59/56/196065956.db2.gz QURVKQVDHWWLJP-OAHLLOKOSA-N 1 0 305.422 1.967 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000133930012 196347182 /nfs/dbraw/zinc/34/71/82/196347182.db2.gz MSSFNZJLULXXQX-INIZCTEOSA-N 1 0 315.417 1.633 50 0 DDAARO Cc1ccccc1CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000416865571 225095175 /nfs/dbraw/zinc/09/51/75/225095175.db2.gz FEVPHOGTYGPRCS-KRWDZBQOSA-N 1 0 316.449 1.227 50 0 DDAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048711658 418475104 /nfs/dbraw/zinc/47/51/04/418475104.db2.gz YLYUCIWVSLYWOA-HNNXBMFYSA-N 1 0 312.421 1.978 50 0 DDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000178991070 221888255 /nfs/dbraw/zinc/88/82/55/221888255.db2.gz CGOCEWMWRILAJT-GFCCVEGCSA-N 1 0 302.353 1.693 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C)n(C)c1=O ZINC000257365635 418568220 /nfs/dbraw/zinc/56/82/20/418568220.db2.gz BRQFRJWFNDQHMU-JKSUJKDBSA-N 1 0 317.433 1.783 50 0 DDAARO CCn1ccnc1CN1CC[N@H+](C[C@H]2CCCCO2)C[C@@H]1C ZINC000252475213 222244077 /nfs/dbraw/zinc/24/40/77/222244077.db2.gz VYMNKXQWSCGXSR-JKSUJKDBSA-N 1 0 306.454 1.978 50 0 DDAARO CCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000408516545 418807053 /nfs/dbraw/zinc/80/70/53/418807053.db2.gz DQNHICXAVYYACH-UHFFFAOYSA-N 1 0 317.389 1.083 50 0 DDAARO C[C@H](O)CC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408521446 418808300 /nfs/dbraw/zinc/80/83/00/418808300.db2.gz UOMKFMKUJJHKHW-GJZGRUSLSA-N 1 0 305.422 1.906 50 0 DDAARO Cc1nc(C(F)(F)F)ncc1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000426359981 419445014 /nfs/dbraw/zinc/44/50/14/419445014.db2.gz RFOJZULURCGHLX-PWSUYJOCSA-N 1 0 300.328 1.988 50 0 DDAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000426370429 419449283 /nfs/dbraw/zinc/44/92/83/419449283.db2.gz ZSTXKDGJOYRFPU-KRWDZBQOSA-N 1 0 317.433 1.908 50 0 DDAARO COC[C@H](C)NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000426420419 419464398 /nfs/dbraw/zinc/46/43/98/419464398.db2.gz TUGSNWVPNPBRCZ-AWEZNQCLSA-N 1 0 306.410 1.647 50 0 DDAARO [NH3+]Cc1nnc(SC[C@@H](O)C2CC2)n1-c1ccc(F)cc1 ZINC000426621561 419519644 /nfs/dbraw/zinc/51/96/44/419519644.db2.gz FINVXSGECOUGIF-GFCCVEGCSA-N 1 0 308.382 1.728 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000299739438 229371318 /nfs/dbraw/zinc/37/13/18/229371318.db2.gz OHVIBFYMAGLCBS-GLQYFDAESA-N 1 0 310.344 1.992 50 0 DDAARO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC000496635939 421288965 /nfs/dbraw/zinc/28/89/65/421288965.db2.gz HXDCFAWPSBRYRB-GFCCVEGCSA-N 1 0 309.410 1.160 50 0 DDAARO CC[N@H+](C)C1(CNc2nc3c(cnn3C)c(N)n2)CCCC1 ZINC000534655561 421695139 /nfs/dbraw/zinc/69/51/39/421695139.db2.gz NEXPFUKXFLQBEU-UHFFFAOYSA-N 1 0 303.414 1.622 50 0 DDAARO C[N@H+](C[C@H](CC1CC1)NC(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000583651808 422209597 /nfs/dbraw/zinc/20/95/97/422209597.db2.gz TWZWHBJIOBWGEK-BFHYXJOUSA-N 1 0 314.426 1.371 50 0 DDAARO CCOc1cccc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000585120940 422307400 /nfs/dbraw/zinc/30/74/00/422307400.db2.gz YMAYAFRZHOHTGS-GOEBONIOSA-N 1 0 304.390 1.565 50 0 DDAARO C[N@@H+]1CCN(CCCc2nc(-c3ccccc3)no2)[C@@H](CO)C1 ZINC000585116453 422307907 /nfs/dbraw/zinc/30/79/07/422307907.db2.gz WUJIJSWTHOFTTN-OAHLLOKOSA-N 1 0 316.405 1.278 50 0 DDAARO CC(C)C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)Nc1nccs1 ZINC000585132533 422311882 /nfs/dbraw/zinc/31/18/82/422311882.db2.gz ZBSGOHBNTCVNIH-GHMZBOCLSA-N 1 0 312.439 1.563 50 0 DDAARO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc2ccncc2s1 ZINC000658035655 424578112 /nfs/dbraw/zinc/57/81/12/424578112.db2.gz RLYBDAVWEVQXMN-PWSUYJOCSA-N 1 0 303.391 1.600 50 0 DDAARO CCOCCNC(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000426590010 276325385 /nfs/dbraw/zinc/32/53/85/276325385.db2.gz QNEQDHKHEYMQEJ-MRXNPFEDSA-N 1 0 305.422 1.721 50 0 DDAARO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C[NH2+]CCOC ZINC000236957266 276488888 /nfs/dbraw/zinc/48/88/88/276488888.db2.gz GUQOKAQPPMJYQD-OAHLLOKOSA-N 1 0 305.422 1.480 50 0 DDAARO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCC[NH+](C)C)C2 ZINC000065273196 276790860 /nfs/dbraw/zinc/79/08/60/276790860.db2.gz ORFHNWBVSSCZPM-LLVKDONJSA-N 1 0 323.462 1.233 50 0 DDAARO C[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000004354595 277115372 /nfs/dbraw/zinc/11/53/72/277115372.db2.gz UDUJZSNYIWXTTQ-UHFFFAOYSA-N 1 0 312.352 1.706 50 0 DDAARO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000261784791 280153600 /nfs/dbraw/zinc/15/36/00/280153600.db2.gz GFWXOQHOJQXQIA-QGTPRVQTSA-N 1 0 300.402 1.924 50 0 DDAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c(C)n1C ZINC000091563430 280343338 /nfs/dbraw/zinc/34/33/38/280343338.db2.gz YVDCQEHTYNNJDK-HZPDHXFCSA-N 1 0 319.449 1.418 50 0 DDAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnn(CC)c1 ZINC000072300148 281195295 /nfs/dbraw/zinc/19/52/95/281195295.db2.gz JETVWDGJDWAEPY-QWHCGFSZSA-N 1 0 312.439 1.150 50 0 DDAARO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C(C)(C)O1 ZINC000090799026 281317973 /nfs/dbraw/zinc/31/79/73/281317973.db2.gz IKYLYFZRGFFOAL-VXGBXAGGSA-N 1 0 304.456 1.346 50 0 DDAARO COc1cccc(C(=O)N2CCOC[C@@H]2C[NH+](C)C)c1OC ZINC000085469840 295285372 /nfs/dbraw/zinc/28/53/72/295285372.db2.gz QBPNIQNLXYJPMM-LBPRGKRZSA-N 1 0 308.378 1.106 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F 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/nfs/dbraw/zinc/39/55/81/353395581.db2.gz BUGIQPAGIHFNCW-KWQFWETISA-N 1 0 306.790 1.708 50 0 DDAARO C[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1[NH+](C)C ZINC000078894936 353539081 /nfs/dbraw/zinc/53/90/81/353539081.db2.gz BYJSRTTTZYKDOK-GXTWGEPZSA-N 1 0 302.378 1.547 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)C2 ZINC000084714274 353726618 /nfs/dbraw/zinc/72/66/18/353726618.db2.gz UZEFCOOTGIPIIU-XNRPHZJLSA-N 1 0 318.417 1.655 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3ccccn3)C[C@H]2C)CC1 ZINC000084714533 353726817 /nfs/dbraw/zinc/72/68/17/353726817.db2.gz ZYHZPZVAQRCULT-QAPCUYQASA-N 1 0 316.449 1.109 50 0 DDAARO COCc1noc([C@H](C)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000097371901 353918751 /nfs/dbraw/zinc/91/87/51/353918751.db2.gz CCGFWVZUOLJVCP-LBPRGKRZSA-N 1 0 303.366 1.494 50 0 DDAARO C[C@@H]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCOCC2)C[C@@H]1C ZINC000097379729 353919349 /nfs/dbraw/zinc/91/93/49/353919349.db2.gz UZMGLRZNSFUOOM-RDBSUJKOSA-N 1 0 303.468 1.995 50 0 DDAARO CC1(C)[C@H]([NH2+]CCS(=O)(=O)NCC2CCC2)[C@@H]2CCO[C@@H]21 ZINC000195550671 354297022 /nfs/dbraw/zinc/29/70/22/354297022.db2.gz CCMNLGNBYDHHHM-MJBXVCDLSA-N 1 0 316.467 1.109 50 0 DDAARO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CC12CCOCC2 ZINC000195542765 354297026 /nfs/dbraw/zinc/29/70/26/354297026.db2.gz RLVXBLDCXUZWLN-OAHLLOKOSA-N 1 0 303.406 1.494 50 0 DDAARO COC(=O)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000225488551 354317688 /nfs/dbraw/zinc/31/76/88/354317688.db2.gz SGWUHMRUTHRZAR-CJNGLKHVSA-N 1 0 316.401 1.568 50 0 DDAARO Cn1nnnc1SCC[NH2+]Cc1c(F)cccc1Cl ZINC000004488540 181114189 /nfs/dbraw/zinc/11/41/89/181114189.db2.gz QSUMERMGRCJWCG-UHFFFAOYSA-N 1 0 301.778 1.885 50 0 DDAARO COC(C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)OC ZINC000397791789 354654983 /nfs/dbraw/zinc/65/49/83/354654983.db2.gz AGOIHGNDSMBMBP-QWRGUYRKSA-N 1 0 302.415 1.887 50 0 DDAARO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)c1 ZINC000585139907 354813819 /nfs/dbraw/zinc/81/38/19/354813819.db2.gz UNNGOHBRRFVECP-GXTWGEPZSA-N 1 0 312.435 1.717 50 0 DDAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nnc3ccccn32)C1 ZINC000076070062 191570504 /nfs/dbraw/zinc/57/05/04/191570504.db2.gz IRYMAULJLGXENL-LBPRGKRZSA-N 1 0 302.382 1.677 50 0 DDAARO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+]CC3)ccc21 ZINC000237133698 202162045 /nfs/dbraw/zinc/16/20/45/202162045.db2.gz GLAOBLDKEFBADJ-UHFFFAOYSA-N 1 0 315.417 1.950 50 0 DDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000069452687 283320103 /nfs/dbraw/zinc/32/01/03/283320103.db2.gz CSLFEVNUSRAQPD-INIZCTEOSA-N 1 0 319.449 1.818 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)on2)[C@H]1C[NH3+] ZINC000237430106 202263274 /nfs/dbraw/zinc/26/32/74/202263274.db2.gz FMSVSQHQNPHKJW-RISCZKNCSA-N 1 0 300.362 1.936 50 0 DDAARO Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000237642278 202315815 /nfs/dbraw/zinc/31/58/15/202315815.db2.gz OTBZNWCUWOCRER-MRXNPFEDSA-N 1 0 318.417 1.662 50 0 DDAARO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)oc1C ZINC000237729716 202341014 /nfs/dbraw/zinc/34/10/14/202341014.db2.gz OYEROAXOKVIBNU-CABCVRRESA-N 1 0 320.437 1.453 50 0 DDAARO Cc1nc(C(=O)N2CC[C@@H]([NH3+])C2)nn1-c1ccc(Cl)cc1 ZINC000237827821 202364927 /nfs/dbraw/zinc/36/49/27/202364927.db2.gz DBOOLJSTYTWLJF-LLVKDONJSA-N 1 0 305.769 1.402 50 0 DDAARO C[C@H](NC(=O)CCC[NH+](C)C)c1cn(-c2ccccc2)nn1 ZINC000089913492 192904660 /nfs/dbraw/zinc/90/46/60/192904660.db2.gz VQIIUNMJLGKGPA-ZDUSSCGKSA-N 1 0 301.394 1.786 50 0 DDAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1nncn1C ZINC000219322114 296040004 /nfs/dbraw/zinc/04/00/04/296040004.db2.gz CRVPUVNSBZTXHE-CYBMUJFWSA-N 1 0 305.426 1.791 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000194882734 201305242 /nfs/dbraw/zinc/30/52/42/201305242.db2.gz QYDVHMGLHTXGPR-GFCCVEGCSA-N 1 0 319.405 1.719 50 0 DDAARO CC[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271850876 209266115 /nfs/dbraw/zinc/26/61/15/209266115.db2.gz RKWGZSVGKCPRPE-AAEUAGOBSA-N 1 0 300.424 1.358 50 0 DDAARO C[N@@H+]1CCN(C(=O)Cc2ccsc2)C[C@@]12CCNC(=O)CC2 ZINC000091289465 193031988 /nfs/dbraw/zinc/03/19/88/193031988.db2.gz XMMUAPGRAYXYKW-MRXNPFEDSA-N 1 0 321.446 1.104 50 0 DDAARO COc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c(C)cc1C ZINC000091445221 193056946 /nfs/dbraw/zinc/05/69/46/193056946.db2.gz HQINSXMLBHWFAN-KGLIPLIRSA-N 1 0 324.446 1.670 50 0 DDAARO CCCc1ccc(C[N@@H+]2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)o1 ZINC000091434501 193054674 /nfs/dbraw/zinc/05/46/74/193054674.db2.gz YGEFUEHSFLHADB-CVEARBPZSA-N 1 0 306.406 1.551 50 0 DDAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091519203 193068106 /nfs/dbraw/zinc/06/81/06/193068106.db2.gz FUJFFWOXZXXNFV-INDMPGQXSA-N 1 0 303.402 1.916 50 0 DDAARO CCCN1CCC[C@]2(CC[N@H+](CCn3ccnc3C)C2)C1=O ZINC000091586183 193075097 /nfs/dbraw/zinc/07/50/97/193075097.db2.gz WTZRUXLGEVTCJG-QGZVFWFLSA-N 1 0 304.438 1.916 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091694010 193092972 /nfs/dbraw/zinc/09/29/72/193092972.db2.gz MWEYDIUZMYDDCB-CQSZACIVSA-N 1 0 319.380 1.854 50 0 DDAARO O=C1[C@H]2CC[C@H](C[N@@H+](C3CCOCC3)C2)N1Cc1ccccn1 ZINC000091894480 193122714 /nfs/dbraw/zinc/12/27/14/193122714.db2.gz VROUIDOSIYYGGT-WMLDXEAASA-N 1 0 315.417 1.683 50 0 DDAARO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cnn1C ZINC000091915369 193125769 /nfs/dbraw/zinc/12/57/69/193125769.db2.gz HKQFUJYBYYGFGU-DOTOQJQBSA-N 1 0 316.449 1.951 50 0 DDAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)CCC3CC3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091998156 193139754 /nfs/dbraw/zinc/13/97/54/193139754.db2.gz PMYKYALBRKHCRQ-YALNPMBYSA-N 1 0 324.465 1.353 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H](C)Cn3cncn3)[nH]c12 ZINC000092064913 193150258 /nfs/dbraw/zinc/15/02/58/193150258.db2.gz WCTBKHZLIOKEQF-CYBMUJFWSA-N 1 0 311.389 1.915 50 0 DDAARO O=C(NC[C@]1(O)CCC[NH2+]C1)c1c[nH]nc1-c1cccc(F)c1 ZINC000092098477 193157092 /nfs/dbraw/zinc/15/70/92/193157092.db2.gz UHEODIACMLJHII-INIZCTEOSA-N 1 0 318.352 1.060 50 0 DDAARO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C ZINC000096476482 296129590 /nfs/dbraw/zinc/12/95/90/296129590.db2.gz UPEDWRVNIYWOFI-NEPJUHHUSA-N 1 0 314.426 1.977 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccnn1CCc1ccccc1 ZINC000261997869 203170443 /nfs/dbraw/zinc/17/04/43/203170443.db2.gz APPCIEMBIULDSN-OAHLLOKOSA-N 1 0 314.389 1.443 50 0 DDAARO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000262549053 203327228 /nfs/dbraw/zinc/32/72/28/203327228.db2.gz WWXSRDDKHYXSGV-COPLHBTASA-N 1 0 315.377 1.189 50 0 DDAARO Cc1cc(NC(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)no1 ZINC000097202786 193690429 /nfs/dbraw/zinc/69/04/29/193690429.db2.gz DPYOWEVWHLQRNT-UHFFFAOYSA-N 1 0 303.366 1.914 50 0 DDAARO CC[NH+]1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019371719 182120189 /nfs/dbraw/zinc/12/01/89/182120189.db2.gz LLYNFLPQYFSAKG-INIZCTEOSA-N 1 0 312.841 1.855 50 0 DDAARO COC(=O)c1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020362924 182211909 /nfs/dbraw/zinc/21/19/09/182211909.db2.gz RTPGUTIRKLDUEM-KRWDZBQOSA-N 1 0 320.433 1.750 50 0 DDAARO Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000022074408 182307919 /nfs/dbraw/zinc/30/79/19/182307919.db2.gz MRGAHUUIVNDLJL-UHFFFAOYSA-N 1 0 304.415 1.975 50 0 DDAARO C[C@H](CNC(=O)NCc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000023247159 182354933 /nfs/dbraw/zinc/35/49/33/182354933.db2.gz YNGQNAWBIXPAMA-CYBMUJFWSA-N 1 0 308.401 1.261 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 ZINC000040555022 183101741 /nfs/dbraw/zinc/10/17/41/183101741.db2.gz KSBHJHNODVAFNF-UONOGXRCSA-N 1 0 319.405 1.466 50 0 DDAARO CN1CC[NH+](CCCCNC(=O)c2cc(F)ccc2F)CC1 ZINC000041361888 183186949 /nfs/dbraw/zinc/18/69/49/183186949.db2.gz QLABRUHZCPKURB-UHFFFAOYSA-N 1 0 311.376 1.722 50 0 DDAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2n1 ZINC000106166525 194189633 /nfs/dbraw/zinc/18/96/33/194189633.db2.gz IBAGSNMZCBOEIU-GJZGRUSLSA-N 1 0 311.385 1.828 50 0 DDAARO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(OC)CC1 ZINC000053898029 183915673 /nfs/dbraw/zinc/91/56/73/183915673.db2.gz UMYZXDWUMWCLQO-CYBMUJFWSA-N 1 0 306.406 1.811 50 0 DDAARO Cc1nn(CCC(=O)NCC[NH+]2CCCC2)c2ccccc12 ZINC000057279972 184031351 /nfs/dbraw/zinc/03/13/51/184031351.db2.gz AVJMNLIWOCGUDU-UHFFFAOYSA-N 1 0 300.406 1.947 50 0 DDAARO Cc1cc(N)n(C(=O)c2cn(CC[NH+](C)C)c3ccccc23)n1 ZINC000058227775 184090706 /nfs/dbraw/zinc/09/07/06/184090706.db2.gz AWCFRAMXXNNZLD-UHFFFAOYSA-N 1 0 311.389 1.979 50 0 DDAARO CCCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058294500 184102020 /nfs/dbraw/zinc/10/20/20/184102020.db2.gz KSLFTWGHOZVPLH-ZDUSSCGKSA-N 1 0 321.421 1.523 50 0 DDAARO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058315683 184104942 /nfs/dbraw/zinc/10/49/42/184104942.db2.gz PZORKAFMAAMXIL-JQWIXIFHSA-N 1 0 318.352 1.929 50 0 DDAARO O=C(NCc1ccc(F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058441450 184119026 /nfs/dbraw/zinc/11/90/26/184119026.db2.gz OAVLVSJLTHYYKR-HUUCEWRRSA-N 1 0 307.369 1.488 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000061524265 184172653 /nfs/dbraw/zinc/17/26/53/184172653.db2.gz VSDYUNMEOUIMDC-UHFFFAOYSA-N 1 0 301.390 1.800 50 0 DDAARO CCCN(CC[NH+](C)C)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000065475389 184352148 /nfs/dbraw/zinc/35/21/48/184352148.db2.gz CLITWCYKYXGCSV-UHFFFAOYSA-N 1 0 321.450 1.957 50 0 DDAARO O=C(CC[NH2+]CCCn1ccnc1)N1CCc2ccccc2C1 ZINC000065490270 184353844 /nfs/dbraw/zinc/35/38/44/184353844.db2.gz SDWHOEDYKAIJEA-UHFFFAOYSA-N 1 0 312.417 1.838 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c(C)nn1C ZINC000065575962 184367798 /nfs/dbraw/zinc/36/77/98/184367798.db2.gz IYOVDBOAEVPGBK-AWEZNQCLSA-N 1 0 311.332 1.839 50 0 DDAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000237593030 257238922 /nfs/dbraw/zinc/23/89/22/257238922.db2.gz NNQJBYQDHZNIEY-WCQYABFASA-N 1 0 323.824 1.877 50 0 DDAARO CC(=O)N1CCN(c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)CC1 ZINC000222790748 407560582 /nfs/dbraw/zinc/56/05/82/407560582.db2.gz YCBYYFDIMKEDNZ-UHFFFAOYSA-N 1 0 315.421 1.227 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1ccc(F)cc1F ZINC000222795506 407561875 /nfs/dbraw/zinc/56/18/75/407561875.db2.gz DVCKDQMDPKNBEO-VJUNAUMWSA-N 1 0 324.371 1.731 50 0 DDAARO CCOC(=O)C(=C1CC(=O)N(c2ccccc2)C1=O)C(C)[NH3+] ZINC000000067619 406617278 /nfs/dbraw/zinc/61/72/78/406617278.db2.gz SHHYUCOZQOFONL-GVIGZQTCSA-N 1 0 302.330 1.362 50 0 DDAARO CC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000000422365 406648439 /nfs/dbraw/zinc/64/84/39/406648439.db2.gz AZTDHXGNQVKCJK-UHFFFAOYSA-N 1 0 317.374 1.574 50 0 DDAARO COc1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000069223844 406692120 /nfs/dbraw/zinc/69/21/20/406692120.db2.gz HHPMRRMFMMXLNB-GFCCVEGCSA-N 1 0 321.421 1.986 50 0 DDAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069310261 406695389 /nfs/dbraw/zinc/69/53/89/406695389.db2.gz REPYEDBKLIIPGB-KFWWJZLASA-N 1 0 310.438 1.861 50 0 DDAARO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccccn3)C2)C1 ZINC000069348210 406697307 /nfs/dbraw/zinc/69/73/07/406697307.db2.gz LPAQTRNGWBGYNS-CVEARBPZSA-N 1 0 316.449 1.899 50 0 DDAARO Cc1cc(N(CCO)CCO)nc(NCc2ccccc2)[nH+]1 ZINC000000378400 406641997 /nfs/dbraw/zinc/64/19/97/406641997.db2.gz DEIMEKBYGIPZOG-UHFFFAOYSA-N 1 0 302.378 1.188 50 0 DDAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000069534742 406731854 /nfs/dbraw/zinc/73/18/54/406731854.db2.gz UYGVUJJVAUCSPP-MRXNPFEDSA-N 1 0 319.453 1.762 50 0 DDAARO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC(N)=O ZINC000069559180 406733411 /nfs/dbraw/zinc/73/34/11/406733411.db2.gz ZOCZEMDPNBMWAZ-UHFFFAOYSA-N 1 0 314.183 1.118 50 0 DDAARO CNC(=O)NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069563907 406734469 /nfs/dbraw/zinc/73/44/69/406734469.db2.gz JYVHXAJCBGBSRU-AWEZNQCLSA-N 1 0 310.442 1.030 50 0 DDAARO COCCn1c(C)c(C)c2c1ncnc2N1CC[NH+](C)CC1 ZINC000006759842 406738009 /nfs/dbraw/zinc/73/80/09/406738009.db2.gz GRXVAYJKDFLTDG-UHFFFAOYSA-N 1 0 303.410 1.446 50 0 DDAARO Cn1ccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)n1 ZINC000069618338 406742972 /nfs/dbraw/zinc/74/29/72/406742972.db2.gz PLWQTUWFRWRIEP-UHFFFAOYSA-N 1 0 317.393 1.682 50 0 DDAARO CCN(C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1)C1CCCCC1 ZINC000069652673 406751537 /nfs/dbraw/zinc/75/15/37/406751537.db2.gz QIPQFBBPQLGEON-GDBMZVCRSA-N 1 0 311.470 1.476 50 0 DDAARO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007458964 406757360 /nfs/dbraw/zinc/75/73/60/406757360.db2.gz KRJBAKSVRBPPFD-ZDUSSCGKSA-N 1 0 317.433 1.624 50 0 DDAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069696902 406757695 /nfs/dbraw/zinc/75/76/95/406757695.db2.gz VQPBXWWVSXFOBC-LBPRGKRZSA-N 1 0 308.817 1.886 50 0 DDAARO C[C@@H](OCC1CC1)C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069771556 406768335 /nfs/dbraw/zinc/76/83/35/406768335.db2.gz GEURKOXCQCZOPH-UKRRQHHQSA-N 1 0 312.454 1.353 50 0 DDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccoc3)cn2)CC1 ZINC000069414925 406706022 /nfs/dbraw/zinc/70/60/22/406706022.db2.gz RTOVNFLRYHRNPO-UHFFFAOYSA-N 1 0 314.389 1.747 50 0 DDAARO CC(=O)NC1(NC(C)=O)CC[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000004011808 406719600 /nfs/dbraw/zinc/71/96/00/406719600.db2.gz MMURFEHJWKZFRH-BLLLJJGKSA-N 1 0 303.406 1.668 50 0 DDAARO CCN1CCN(C2CC[NH+](CCOCC(F)(F)F)CC2)C1=O ZINC000069493176 406722235 /nfs/dbraw/zinc/72/22/35/406722235.db2.gz SEKCTUWMAVZPSG-UHFFFAOYSA-N 1 0 323.359 1.787 50 0 DDAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)n1 ZINC000069846387 406782136 /nfs/dbraw/zinc/78/21/36/406782136.db2.gz XCSGORKNFJOPIH-HNNXBMFYSA-N 1 0 305.426 1.229 50 0 DDAARO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000008317294 406782845 /nfs/dbraw/zinc/78/28/45/406782845.db2.gz IROMRAQKHBLHTR-LBPRGKRZSA-N 1 0 321.396 1.070 50 0 DDAARO CCOC(=O)[C@@]1(CC(C)C)C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000008556668 406789544 /nfs/dbraw/zinc/78/95/44/406789544.db2.gz MXAUZRYYPQMEBU-TVQRCGJNSA-N 1 0 302.396 1.524 50 0 DDAARO CCNC(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724590 406793631 /nfs/dbraw/zinc/79/36/31/406793631.db2.gz UAOZCCHYXWDSEA-VXGBXAGGSA-N 1 0 307.394 1.527 50 0 DDAARO CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CC[NH2+]C1 ZINC000179047892 306690246 /nfs/dbraw/zinc/69/02/46/306690246.db2.gz NHFDIQKOHKDAFB-LLVKDONJSA-N 1 0 323.780 1.458 50 0 DDAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC(N)=O)c2)cn1 ZINC000069968271 406797479 /nfs/dbraw/zinc/79/74/79/406797479.db2.gz CHCAHPYLIDOHMA-INIZCTEOSA-N 1 0 314.389 1.621 50 0 DDAARO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1CCOC ZINC000069972567 406798389 /nfs/dbraw/zinc/79/83/89/406798389.db2.gz BPUNOXKRXDWLAQ-UONOGXRCSA-N 1 0 324.425 1.353 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000012209405 406839049 /nfs/dbraw/zinc/83/90/49/406839049.db2.gz PPONRLADCCTODT-INIZCTEOSA-N 1 0 315.417 1.642 50 0 DDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000071144885 406833275 /nfs/dbraw/zinc/83/32/75/406833275.db2.gz BTZBCNHYHZWEHQ-SECBINFHSA-N 1 0 306.790 1.709 50 0 DDAARO O=C1CCCN1CCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000071824775 406847842 /nfs/dbraw/zinc/84/78/42/406847842.db2.gz SXYHNQKWVRLVHL-MRXNPFEDSA-N 1 0 315.417 1.562 50 0 DDAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000012579376 406848133 /nfs/dbraw/zinc/84/81/33/406848133.db2.gz FRPZATRRUBZTSD-HNNXBMFYSA-N 1 0 320.437 1.271 50 0 DDAARO COCCNC(=O)[C@H](C)[N@H+](C)CCOc1ccc(OC)cc1 ZINC000012792163 406852596 /nfs/dbraw/zinc/85/25/96/406852596.db2.gz OWCLPZYYCVFRQK-ZDUSSCGKSA-N 1 0 310.394 1.157 50 0 DDAARO Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)c1 ZINC000071866137 406854760 /nfs/dbraw/zinc/85/47/60/406854760.db2.gz XKIWTGHULVINLW-JKSUJKDBSA-N 1 0 320.437 1.293 50 0 DDAARO Cc1nnc2ccc(N3CC[NH+](CC4CCCC4)CC3)nn12 ZINC000071863797 406854814 /nfs/dbraw/zinc/85/48/14/406854814.db2.gz DXMLHUZOCRXEKY-UHFFFAOYSA-N 1 0 300.410 1.745 50 0 DDAARO Cc1nc(CN2CCC[C@H]([NH2+]Cc3c(C)noc3C)C2)no1 ZINC000071870560 406856853 /nfs/dbraw/zinc/85/68/53/406856853.db2.gz MMJLJOBUXLOVTN-ZDUSSCGKSA-N 1 0 305.382 1.737 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000071879593 406859027 /nfs/dbraw/zinc/85/90/27/406859027.db2.gz VNEGAGCMQMUXFN-LSDHHAIUSA-N 1 0 311.470 1.212 50 0 DDAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccco2)c1 ZINC000071876991 406859094 /nfs/dbraw/zinc/85/90/94/406859094.db2.gz SZICDBJGQPEMOR-HOTGVXAUSA-N 1 0 319.405 1.827 50 0 DDAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC000071878569 406859617 /nfs/dbraw/zinc/85/96/17/406859617.db2.gz NQJVMAPEGHRPMM-HOTGVXAUSA-N 1 0 303.410 1.304 50 0 DDAARO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(O)c2)CC1 ZINC000071914283 406867161 /nfs/dbraw/zinc/86/71/61/406867161.db2.gz CMLBNCJBWYAAKF-UHFFFAOYSA-N 1 0 320.389 1.538 50 0 DDAARO Cc1nc2ncccn2c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072149384 406873226 /nfs/dbraw/zinc/87/32/26/406873226.db2.gz IWPCFBHOVGBKEU-ZDUSSCGKSA-N 1 0 301.394 1.594 50 0 DDAARO COc1cccc([C@@H](CNc2ccc3nnnn3n2)[NH+](C)C)c1 ZINC000014254752 406875143 /nfs/dbraw/zinc/87/51/43/406875143.db2.gz GSYPFIXIRYCFJA-CYBMUJFWSA-N 1 0 313.365 1.243 50 0 DDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000072300601 406880803 /nfs/dbraw/zinc/88/08/03/406880803.db2.gz BDPIKQRDMSKWOU-GWCFXTLKSA-N 1 0 318.389 1.724 50 0 DDAARO Cc1cc2nc(C)cc(NCC[N@@H+]3CCCC[C@H]3CO)n2n1 ZINC000072407536 406881147 /nfs/dbraw/zinc/88/11/47/406881147.db2.gz YSNWWYLMGORIRJ-AWEZNQCLSA-N 1 0 303.410 1.605 50 0 DDAARO COc1cc2c(cc1CN1CCO[C@H](C[NH3+])C1)OCCCO2 ZINC000071762512 406842698 /nfs/dbraw/zinc/84/26/98/406842698.db2.gz BYEDKBSBOOFJOI-CYBMUJFWSA-N 1 0 308.378 1.016 50 0 DDAARO Cc1nonc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012386922 406843529 /nfs/dbraw/zinc/84/35/29/406843529.db2.gz WYYNMULKXFKSEU-OAHLLOKOSA-N 1 0 314.389 1.815 50 0 DDAARO Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]1 ZINC000075122802 406922144 /nfs/dbraw/zinc/92/21/44/406922144.db2.gz FJIGKAQUOXVNPT-SGMGOOAPSA-N 1 0 305.422 1.780 50 0 DDAARO Cc1noc(CCCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000075130744 406923102 /nfs/dbraw/zinc/92/31/02/406923102.db2.gz NHGBMOFJYKVZLE-UONOGXRCSA-N 1 0 306.410 1.786 50 0 DDAARO O=C(CC[N@@H+]1CCCC[C@@H]1Cn1cncn1)N1CCCCC1 ZINC000075131962 406923522 /nfs/dbraw/zinc/92/35/22/406923522.db2.gz CHNNHAWRYWCKIL-OAHLLOKOSA-N 1 0 305.426 1.535 50 0 DDAARO CC[C@@H]1CN(Cc2nnsc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000075129430 406923916 /nfs/dbraw/zinc/92/39/16/406923916.db2.gz OXTNGJGAXVHSEI-NXEZZACHSA-N 1 0 304.847 1.469 50 0 DDAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000030656201 406933536 /nfs/dbraw/zinc/93/35/36/406933536.db2.gz YIZSNBCXPNKHGW-UHFFFAOYSA-N 1 0 302.827 1.854 50 0 DDAARO C[C@@H](CNS(=O)(=O)N1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000032441164 406947737 /nfs/dbraw/zinc/94/77/37/406947737.db2.gz FSSWDWBHRRFVKD-KGLIPLIRSA-N 1 0 303.472 1.570 50 0 DDAARO C[C@@H]1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C[C@H]1[NH+](C)C ZINC000076050697 406952155 /nfs/dbraw/zinc/95/21/55/406952155.db2.gz MGFQXSNFWNLOOC-DWQUBVKVSA-N 1 0 316.401 1.567 50 0 DDAARO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1ccccc1F ZINC000032825300 406954247 /nfs/dbraw/zinc/95/42/47/406954247.db2.gz BXDHZYKKDNMCIV-UHFFFAOYSA-N 1 0 308.353 1.993 50 0 DDAARO CCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000033032632 406958725 /nfs/dbraw/zinc/95/87/25/406958725.db2.gz FAMSGYHEHIGGJL-UHFFFAOYSA-N 1 0 307.369 1.110 50 0 DDAARO CCOC[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000078700035 407041853 /nfs/dbraw/zinc/04/18/53/407041853.db2.gz CWPIZKKYXWKVPJ-MRXNPFEDSA-N 1 0 312.454 1.545 50 0 DDAARO CCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000078700145 407042027 /nfs/dbraw/zinc/04/20/27/407042027.db2.gz ZTBJSBCJUYYSIP-HNNXBMFYSA-N 1 0 322.405 1.591 50 0 DDAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000077298637 406983270 /nfs/dbraw/zinc/98/32/70/406983270.db2.gz PPWXMWQXTLFYLF-GOSISDBHSA-N 1 0 314.433 1.986 50 0 DDAARO O=C(c1ncoc1C1CC1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077286908 406983374 /nfs/dbraw/zinc/98/33/74/406983374.db2.gz ZVBGVJQDJIGCEX-QGZVFWFLSA-N 1 0 319.405 1.615 50 0 DDAARO Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077286782 406983540 /nfs/dbraw/zinc/98/35/40/406983540.db2.gz YQAFTHLTXPJYTE-QGZVFWFLSA-N 1 0 306.454 1.768 50 0 DDAARO O=C(NCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000077420747 406990179 /nfs/dbraw/zinc/99/01/79/406990179.db2.gz NKLCYBGUNMEVLT-OAHLLOKOSA-N 1 0 319.405 1.129 50 0 DDAARO CC1(C)C[C@H](C[NH+]2CCN(CCn3cncn3)CC2)CCO1 ZINC000077505966 406993818 /nfs/dbraw/zinc/99/38/18/406993818.db2.gz DSBMXJWXZKJDMD-OAHLLOKOSA-N 1 0 307.442 1.101 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000048243603 407092907 /nfs/dbraw/zinc/09/29/07/407092907.db2.gz MQGUTQISVHVPEB-HNNXBMFYSA-N 1 0 322.453 1.725 50 0 DDAARO O[C@@H](Cn1cccn1)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000048278433 407093436 /nfs/dbraw/zinc/09/34/36/407093436.db2.gz SZMHZFDVHYJQQQ-QGZVFWFLSA-N 1 0 315.417 1.925 50 0 DDAARO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000089314142 407130592 /nfs/dbraw/zinc/13/05/92/407130592.db2.gz XMFQMSUTMWVHOY-STQMWFEESA-N 1 0 318.439 1.492 50 0 DDAARO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2cccnc2)C1 ZINC000089314008 407130974 /nfs/dbraw/zinc/13/09/74/407130974.db2.gz QXZWOXDBDRDGKF-KBPBESRZSA-N 1 0 306.410 1.632 50 0 DDAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2cccn2C)CC1 ZINC000089885230 407155719 /nfs/dbraw/zinc/15/57/19/407155719.db2.gz KHZUIAVZAATTRM-UHFFFAOYSA-N 1 0 320.437 1.086 50 0 DDAARO CC(C)N1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000053349639 407167828 /nfs/dbraw/zinc/16/78/28/407167828.db2.gz VSQNMDPHCOBLMC-INIZCTEOSA-N 1 0 317.433 1.492 50 0 DDAARO Cc1nc(N2CCCC2)nc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1C ZINC000091664729 407182573 /nfs/dbraw/zinc/18/25/73/407182573.db2.gz YMVMMLXZNVJPOF-CABCVRRESA-N 1 0 301.438 1.867 50 0 DDAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000095353455 407207777 /nfs/dbraw/zinc/20/77/77/407207777.db2.gz YVZHSBDMRLCHFJ-KRWDZBQOSA-N 1 0 318.421 1.050 50 0 DDAARO CCc1nc(N)nc(N2CC[NH+](C3CCSCC3)CC2)c1C ZINC000095362328 407209336 /nfs/dbraw/zinc/20/93/36/407209336.db2.gz HLGSZFRYUHMRHT-UHFFFAOYSA-N 1 0 321.494 1.947 50 0 DDAARO CCCc1nnc(N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000095368773 407209785 /nfs/dbraw/zinc/20/97/85/407209785.db2.gz IOQOLSZHCIWKCT-AWEZNQCLSA-N 1 0 307.442 1.486 50 0 DDAARO Nc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000095368771 407209857 /nfs/dbraw/zinc/20/98/57/407209857.db2.gz RAAIIWJLEHPKCU-LSDHHAIUSA-N 1 0 300.406 1.497 50 0 DDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)c(OC)co1)C2 ZINC000095369687 407209954 /nfs/dbraw/zinc/20/99/54/407209954.db2.gz LUNVCEVXVQSDQI-UONOGXRCSA-N 1 0 322.405 1.191 50 0 DDAARO CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2ncnn2CC)CC1 ZINC000095371380 407211134 /nfs/dbraw/zinc/21/11/34/407211134.db2.gz NELBPOLJGAOKNS-ZDUSSCGKSA-N 1 0 307.442 1.987 50 0 DDAARO CCCCSc1nc(N)cc(N2CCO[C@@H](CC[NH3+])C2)n1 ZINC000095381239 407212735 /nfs/dbraw/zinc/21/27/35/407212735.db2.gz 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ZINC000019956634 182170299 /nfs/dbraw/zinc/17/02/99/182170299.db2.gz HAQQYUNWWDOEDO-QGZVFWFLSA-N 1 0 304.434 1.553 50 0 DDAARO C[NH+](C)CCNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000021642798 182282322 /nfs/dbraw/zinc/28/23/22/182282322.db2.gz KCFQDXWQYOBPEY-CYBMUJFWSA-N 1 0 309.797 1.371 50 0 DDAARO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022699129 182331231 /nfs/dbraw/zinc/33/12/31/182331231.db2.gz RRWSWNQYJWFDGM-CQSZACIVSA-N 1 0 303.406 1.246 50 0 DDAARO C[NH2+]CCCNC(=O)C(=O)Nc1cccc2c(O)cccc12 ZINC000036358028 182818246 /nfs/dbraw/zinc/81/82/46/182818246.db2.gz ONTHSGVRPVISSH-UHFFFAOYSA-N 1 0 301.346 1.210 50 0 DDAARO COc1ccccc1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101678376 193834761 /nfs/dbraw/zinc/83/47/61/193834761.db2.gz BSRNVHNHFKPWNT-UHFFFAOYSA-N 1 0 317.389 1.267 50 0 DDAARO CCc1cc2c(ncn(CC[N@@H+]3CCC[C@H](O)C3)c2=O)s1 ZINC000043053760 183332682 /nfs/dbraw/zinc/33/26/82/183332682.db2.gz SJHQNKDTGUSMAK-NSHDSACASA-N 1 0 307.419 1.477 50 0 DDAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@H]1CCO ZINC000104548378 194014047 /nfs/dbraw/zinc/01/40/47/194014047.db2.gz MMMBXTYQTUOVAW-GOSISDBHSA-N 1 0 314.433 1.787 50 0 DDAARO O=C(c1cnc2ccccn2c1=O)N1CCC(c2ncc[nH]2)CC1 ZINC000097730040 296286299 /nfs/dbraw/zinc/28/62/99/296286299.db2.gz YDKBLOLLVBLLRA-UHFFFAOYSA-N 1 0 323.356 1.437 50 0 DDAARO O=C1CCC2(CC[NH+](CCn3ccnc3)CC2)CN1CC1CC1 ZINC000092028263 284785159 /nfs/dbraw/zinc/78/51/59/284785159.db2.gz YJRYOPHJPTXUFC-UHFFFAOYSA-N 1 0 316.449 1.998 50 0 DDAARO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 ZINC000110613215 194343140 /nfs/dbraw/zinc/34/31/40/194343140.db2.gz KACHNQXAZBXJQJ-USXIJHARSA-N 1 0 302.418 1.935 50 0 DDAARO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000057944919 184063118 /nfs/dbraw/zinc/06/31/18/184063118.db2.gz LDEDPFVTJAQDCI-LSDHHAIUSA-N 1 0 306.406 1.301 50 0 DDAARO CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000058233457 184092984 /nfs/dbraw/zinc/09/29/84/184092984.db2.gz QNJWKXNXERMSPX-IZPAUZPXSA-N 1 0 304.390 1.927 50 0 DDAARO CCn1c2ccccc2n(C[C@@H](O)C[NH+]2CCC(C)CC2)c1=O ZINC000058155488 184081446 /nfs/dbraw/zinc/08/14/46/184081446.db2.gz FFVJEFIZWQGZKG-HNNXBMFYSA-N 1 0 317.433 1.916 50 0 DDAARO CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc2c(c1)OCCO2 ZINC000058419739 184115924 /nfs/dbraw/zinc/11/59/24/184115924.db2.gz AWKOMAIHKKWHTI-UHFFFAOYSA-N 1 0 321.377 1.128 50 0 DDAARO CNC(=O)C1CCC([NH2+]Cc2c(C(C)C)nn(C)c2OC)CC1 ZINC000058433954 184118289 /nfs/dbraw/zinc/11/82/89/184118289.db2.gz RMHDPDNWFBPHAA-UHFFFAOYSA-N 1 0 322.453 1.947 50 0 DDAARO C[NH+]1CCC(NC(=O)c2ccc(CN3CCOCC3)cc2)CC1 ZINC000065364098 184328694 /nfs/dbraw/zinc/32/86/94/184328694.db2.gz WQNFSZCLPRCAGY-UHFFFAOYSA-N 1 0 317.433 1.343 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 ZINC000065415441 184340618 /nfs/dbraw/zinc/34/06/18/184340618.db2.gz OCGWULHRAMGXAR-CYBMUJFWSA-N 1 0 305.403 1.329 50 0 DDAARO CC[N@H+](C)CCNC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000065415539 184340729 /nfs/dbraw/zinc/34/07/29/184340729.db2.gz FUQWEFTUBBAZRC-UHFFFAOYSA-N 1 0 307.394 1.200 50 0 DDAARO COc1cc(C[NH2+]CCNc2ncccn2)cc2c1OCCO2 ZINC000065459195 184347988 /nfs/dbraw/zinc/34/79/88/184347988.db2.gz GVVRLZVSKRIXCT-UHFFFAOYSA-N 1 0 316.361 1.458 50 0 DDAARO Cc1nnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000065490600 184353687 /nfs/dbraw/zinc/35/36/87/184353687.db2.gz CTNYQPPEUCJEOE-CYBMUJFWSA-N 1 0 305.426 1.774 50 0 DDAARO CNC(=O)C1CCC([NH2+]Cc2c(C)nn(C)c2N(C)C)CC1 ZINC000065523265 184359249 /nfs/dbraw/zinc/35/92/49/184359249.db2.gz FSIBQZFHXUNFMU-UHFFFAOYSA-N 1 0 307.442 1.189 50 0 DDAARO COc1cc2c(c(C[NH2+]C[C@H]3CN(C)CCO3)c1)O[C@@H](C)C2 ZINC000065615076 184374178 /nfs/dbraw/zinc/37/41/78/184374178.db2.gz NZOVAIAKNRYKNW-LRDDRELGSA-N 1 0 306.406 1.439 50 0 DDAARO COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000067833934 184488239 /nfs/dbraw/zinc/48/82/39/184488239.db2.gz QJSLXEZSCWGQGJ-STQMWFEESA-N 1 0 311.813 1.338 50 0 DDAARO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1cccs1 ZINC000377130663 257235517 /nfs/dbraw/zinc/23/55/17/257235517.db2.gz XUGDUBUNAQNGJL-ZAZJYDDPSA-N 1 0 321.446 1.511 50 0 DDAARO CC[NH+]1CCN(c2ncc(C(=O)N3CCCCC3)c(C)n2)CC1 ZINC000021638472 134651906 /nfs/dbraw/zinc/65/19/06/134651906.db2.gz GJTXNOXWQPIBNJ-UHFFFAOYSA-N 1 0 317.437 1.553 50 0 DDAARO CCn1ccnc1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223291957 407568286 /nfs/dbraw/zinc/56/82/86/407568286.db2.gz NONNAYACRRIKJI-UHFFFAOYSA-N 1 0 306.454 1.573 50 0 DDAARO COc1cc(C[NH2+]CCCO)ccc1OCC(=O)NC(C)(C)C ZINC000002177964 406683832 /nfs/dbraw/zinc/68/38/32/406683832.db2.gz FVLWQDBKCNOQFW-UHFFFAOYSA-N 1 0 324.421 1.461 50 0 DDAARO C[NH+]1CCN(C[C@@H](NC(=O)NC2CC2)c2ccccc2)CC1 ZINC000069222781 406691668 /nfs/dbraw/zinc/69/16/68/406691668.db2.gz QYCYVIYFZQQXPA-MRXNPFEDSA-N 1 0 302.422 1.437 50 0 DDAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(F)cc1F ZINC000002655813 406692702 /nfs/dbraw/zinc/69/27/02/406692702.db2.gz ZCHJPJNUSLFIEG-UHFFFAOYSA-N 1 0 306.378 1.831 50 0 DDAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(N)=O ZINC000002862061 406705345 /nfs/dbraw/zinc/70/53/45/406705345.db2.gz PPTIHCQMSGXQEA-UHFFFAOYSA-N 1 0 314.385 1.892 50 0 DDAARO COc1cccc2cc(C(=O)NCCC[NH+](C)C)c(=O)oc21 ZINC000002709812 406696206 /nfs/dbraw/zinc/69/62/06/406696206.db2.gz LMDMLNVDJUEFEW-UHFFFAOYSA-N 1 0 304.346 1.483 50 0 biogenic DDAARO O=C(NCCNc1cnccn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069351759 406700247 /nfs/dbraw/zinc/70/02/47/406700247.db2.gz FAFQZJGPRHNSIP-AWEZNQCLSA-N 1 0 318.425 1.158 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2COC)C1 ZINC000068493025 406642985 /nfs/dbraw/zinc/64/29/85/406642985.db2.gz OXYJINGJTHBDMO-CQSZACIVSA-N 1 0 306.406 1.531 50 0 DDAARO CN(Cc1ccsc1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069588223 406739763 /nfs/dbraw/zinc/73/97/63/406739763.db2.gz LPOQWMQIZQFXOR-AWEZNQCLSA-N 1 0 319.434 1.463 50 0 DDAARO CCNC(=O)NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069592567 406740419 /nfs/dbraw/zinc/74/04/19/406740419.db2.gz FRCTYPWGQGNHHJ-OAHLLOKOSA-N 1 0 324.469 1.420 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCN3CCCC3=O)C2)n1 ZINC000069699311 406756929 /nfs/dbraw/zinc/75/69/29/406756929.db2.gz ZPPZWPLYOHTLIQ-MRXNPFEDSA-N 1 0 319.453 1.619 50 0 DDAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccncc1 ZINC000069740703 406765579 /nfs/dbraw/zinc/76/55/79/406765579.db2.gz KLQBCDQBLLOUSQ-UHFFFAOYSA-N 1 0 319.453 1.249 50 0 DDAARO CCc1nc(CN2CCC[C@H]([NH2+]CCn3cccn3)C2)no1 ZINC000069770119 406769224 /nfs/dbraw/zinc/76/92/24/406769224.db2.gz KOTICXCHVDTIEB-ZDUSSCGKSA-N 1 0 304.398 1.083 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000002954262 406708123 /nfs/dbraw/zinc/70/81/23/406708123.db2.gz GFVNQUXKTCQZEA-AWEZNQCLSA-N 1 0 307.438 1.380 50 0 DDAARO CCCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](C)CC1 ZINC000004412461 406727153 /nfs/dbraw/zinc/72/71/53/406727153.db2.gz VSFGJUPJOLMBNO-UHFFFAOYSA-N 1 0 319.405 1.964 50 0 DDAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OC ZINC000008253601 406780884 /nfs/dbraw/zinc/78/08/84/406780884.db2.gz MODSVCDCQOQTFK-UHFFFAOYSA-N 1 0 304.184 1.938 50 0 DDAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C)CC1 ZINC000008318384 406784827 /nfs/dbraw/zinc/78/48/27/406784827.db2.gz HWDYEJFGAUSZNH-NSHDSACASA-N 1 0 302.378 1.915 50 0 DDAARO C[C@@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 ZINC000069879303 406785948 /nfs/dbraw/zinc/78/59/48/406785948.db2.gz LWNJGHKSPIDQOE-GFCCVEGCSA-N 1 0 312.435 1.376 50 0 DDAARO COc1cccc(S(=O)(=O)CC[NH2+]CCn2cc(C)cn2)c1 ZINC000070018328 406804311 /nfs/dbraw/zinc/80/43/11/406804311.db2.gz GMQPGOOBVGLTJO-UHFFFAOYSA-N 1 0 323.418 1.264 50 0 DDAARO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000070018784 406805052 /nfs/dbraw/zinc/80/50/52/406805052.db2.gz OHJXNYCJHFCMLT-TZMCWYRMSA-N 1 0 320.389 1.267 50 0 DDAARO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000069950762 406796068 /nfs/dbraw/zinc/79/60/68/406796068.db2.gz PGNQUBTZBZSFCY-UHFFFAOYSA-N 1 0 316.445 1.633 50 0 DDAARO CN(CC(=O)N1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000069952101 406796232 /nfs/dbraw/zinc/79/62/32/406796232.db2.gz JQEHBEBSFOLUAY-UHFFFAOYSA-N 1 0 319.449 1.034 50 0 DDAARO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000071385417 406838528 /nfs/dbraw/zinc/83/85/28/406838528.db2.gz KWHAILCNAZMEAH-KBPBESRZSA-N 1 0 306.406 1.921 50 0 DDAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000012744115 406850791 /nfs/dbraw/zinc/85/07/91/406850791.db2.gz MBKGCULHJYGXGX-MRXNPFEDSA-N 1 0 321.417 1.228 50 0 DDAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000012851388 406853940 /nfs/dbraw/zinc/85/39/40/406853940.db2.gz RMNGANFZCYHGMZ-NSHDSACASA-N 1 0 307.419 1.781 50 0 DDAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000013146016 406859656 /nfs/dbraw/zinc/85/96/56/406859656.db2.gz ZJNIFIHUHWUOJP-UONOGXRCSA-N 1 0 311.378 1.432 50 0 DDAARO CN(CCCN1CC[NH+](C)CC1)C(=O)CSc1ccccc1 ZINC000071896513 406864196 /nfs/dbraw/zinc/86/41/96/406864196.db2.gz DUKFVUWEQQUTPR-UHFFFAOYSA-N 1 0 321.490 1.875 50 0 DDAARO COc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C)CC2)c1 ZINC000071908345 406867058 /nfs/dbraw/zinc/86/70/58/406867058.db2.gz IHCDTGINGXBMIF-UHFFFAOYSA-N 1 0 318.826 1.721 50 0 DDAARO Cn1c2ccccc2nc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000071915603 406867812 /nfs/dbraw/zinc/86/78/12/406867812.db2.gz LKXJZZPYSPRKDE-OAHLLOKOSA-N 1 0 314.433 1.870 50 0 DDAARO Cc1ccc(OCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000072156137 406875081 /nfs/dbraw/zinc/87/50/81/406875081.db2.gz DDPRIOOOAFTGKU-QGZVFWFLSA-N 1 0 306.406 1.289 50 0 DDAARO O=[S@](CC[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000072253343 406876823 /nfs/dbraw/zinc/87/68/23/406876823.db2.gz LTHBSYKGMPGDKO-QRQCRPRQSA-N 1 0 318.446 1.940 50 0 DDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc2nnc(C)s2)c1 ZINC000072269805 406877142 /nfs/dbraw/zinc/87/71/42/406877142.db2.gz DKNFJOLRKWVUTA-ZJUUUORDSA-N 1 0 308.411 1.529 50 0 DDAARO CNC(=O)NC(=O)CN(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000072275084 406877742 /nfs/dbraw/zinc/87/77/42/406877742.db2.gz HQCQCIATNACTEF-UHFFFAOYSA-N 1 0 318.421 1.040 50 0 DDAARO CC(C)Oc1cccc(C(=O)NCCCN2CCOCC2)c1 ZINC000020550000 406887800 /nfs/dbraw/zinc/88/78/00/406887800.db2.gz KXOUHRZGFHRVAL-UHFFFAOYSA-N 1 0 306.406 1.926 50 0 DDAARO [NH3+]C[C@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000035287556 406971010 /nfs/dbraw/zinc/97/10/10/406971010.db2.gz HPIRTIMESGRRFW-ZDUSSCGKSA-N 1 0 302.340 1.946 50 0 DDAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000036300052 406977873 /nfs/dbraw/zinc/97/78/73/406977873.db2.gz XXJBEDGUQLJDGO-UHFFFAOYSA-N 1 0 306.790 1.852 50 0 DDAARO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 ZINC000036378510 406978874 /nfs/dbraw/zinc/97/88/74/406978874.db2.gz FADDLBKJTNUMJA-INIZCTEOSA-N 1 0 302.399 1.933 50 0 DDAARO CC[C@@H](CO)[NH+]1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000075960068 406946998 /nfs/dbraw/zinc/94/69/98/406946998.db2.gz HNXBSCZTLFVBRV-KRWDZBQOSA-N 1 0 305.422 1.534 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc[nH]c1=O ZINC000032721225 406951267 /nfs/dbraw/zinc/95/12/67/406951267.db2.gz PQCXUAGQWAZPLZ-AWEZNQCLSA-N 1 0 315.373 1.925 50 0 DDAARO Cn1cc(/C=C/C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000032729461 406951391 /nfs/dbraw/zinc/95/13/91/406951391.db2.gz RXBMULXWBFPTQF-KXPUMZMLSA-N 1 0 316.380 1.992 50 0 DDAARO CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000077441798 406990938 /nfs/dbraw/zinc/99/09/38/406990938.db2.gz GIJWEXYUNJAFKF-CZUORRHYSA-N 1 0 320.437 1.761 50 0 DDAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccccn2)CC1 ZINC000041529279 407007868 /nfs/dbraw/zinc/00/78/68/407007868.db2.gz HYMOGHAQPBLXAG-UHFFFAOYSA-N 1 0 309.377 1.352 50 0 DDAARO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CC=CCC3)ccn2)CC1 ZINC000048330597 407095036 /nfs/dbraw/zinc/09/50/36/407095036.db2.gz ONGQKTFGQXAGCU-MRXNPFEDSA-N 1 0 314.433 1.806 50 0 DDAARO COCC[NH+]1CCC(NC(=O)CCc2c(C)noc2C)CC1 ZINC000085467886 407102644 /nfs/dbraw/zinc/10/26/44/407102644.db2.gz AOWFBBMJXHQFEV-UHFFFAOYSA-N 1 0 309.410 1.451 50 0 DDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000050246479 407129884 /nfs/dbraw/zinc/12/98/84/407129884.db2.gz AKMHYKUTCWKBQV-MRVPVSSYSA-N 1 0 309.218 1.963 50 0 DDAARO COCC[N@@H+]1CCC[C@H](Nc2ccc3nnc(C4CC4)n3n2)C1 ZINC000089414547 407133272 /nfs/dbraw/zinc/13/32/72/407133272.db2.gz YJQOWZPXNJECAB-ZDUSSCGKSA-N 1 0 316.409 1.524 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)c2cccc3c[nH]nc32)CC1 ZINC000089414450 407133518 /nfs/dbraw/zinc/13/35/18/407133518.db2.gz DBFKLNAEIVZMNG-UHFFFAOYSA-N 1 0 316.405 1.651 50 0 DDAARO Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000089651159 407143287 /nfs/dbraw/zinc/14/32/87/407143287.db2.gz LWPDGAGGOKFPQE-JSGCOSHPSA-N 1 0 312.410 1.991 50 0 DDAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799428 407171643 /nfs/dbraw/zinc/17/16/43/407171643.db2.gz SJNCSVVMSGUDLQ-GOEBONIOSA-N 1 0 310.463 1.940 50 0 DDAARO O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000054710804 407188033 /nfs/dbraw/zinc/18/80/33/407188033.db2.gz MHZHRBJOAOXYSI-UHFFFAOYSA-N 1 0 309.797 1.729 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000096405138 407260680 /nfs/dbraw/zinc/26/06/80/407260680.db2.gz ROPNCPLNAREFIU-YVMONPNESA-N 1 0 305.397 1.593 50 0 DDAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)CCC(=O)N(C)C ZINC000055167409 407196347 /nfs/dbraw/zinc/19/63/47/407196347.db2.gz YYJPJKMBNYHPLN-UHFFFAOYSA-N 1 0 319.449 1.754 50 0 DDAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)n1cncn1 ZINC000057167348 407213571 /nfs/dbraw/zinc/21/35/71/407213571.db2.gz AFZSBICVXXSKOL-CYBMUJFWSA-N 1 0 314.393 1.015 50 0 DDAARO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000095968254 407218944 /nfs/dbraw/zinc/21/89/44/407218944.db2.gz ZYBBHLWTSJEMRL-KOLCDFICSA-N 1 0 315.215 1.245 50 0 DDAARO CC[C@H](C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000095972642 407219648 /nfs/dbraw/zinc/21/96/48/407219648.db2.gz QMMMWRCCMOGLSI-YNEHKIRRSA-N 1 0 314.455 1.650 50 0 DDAARO CC(C)[NH+]1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1 ZINC000064555230 407238383 /nfs/dbraw/zinc/23/83/83/407238383.db2.gz INBRVUQFNPKHCQ-UHFFFAOYSA-N 1 0 300.410 1.922 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCOC3)cc2)CC1 ZINC000097039080 407275859 /nfs/dbraw/zinc/27/58/59/407275859.db2.gz YJKSTXRTDYLUOG-MRXNPFEDSA-N 1 0 304.390 1.774 50 0 DDAARO [NH3+]C[C@H]1CN(Cc2c(-c3ccccc3)nc3ncccn23)CCO1 ZINC000067712899 407281255 /nfs/dbraw/zinc/28/12/55/407281255.db2.gz PMZTUWCDBFABQF-HNNXBMFYSA-N 1 0 323.400 1.556 50 0 DDAARO C[NH2+]CCNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000067788607 407284129 /nfs/dbraw/zinc/28/41/29/407284129.db2.gz JGTPMFJUAQNQQN-UHFFFAOYSA-N 1 0 311.288 1.481 50 0 DDAARO Cc1n[nH]cc1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000097159395 407284150 /nfs/dbraw/zinc/28/41/50/407284150.db2.gz RQKSNBFYCZDCOM-KRWDZBQOSA-N 1 0 300.406 1.227 50 0 DDAARO CNc1ccc(C)cc1C(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000067787188 407284454 /nfs/dbraw/zinc/28/44/54/407284454.db2.gz GKKHRJCIKXCVJZ-KBPBESRZSA-N 1 0 302.422 1.155 50 0 DDAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCO)C2=O)cc1 ZINC000067846670 407287565 /nfs/dbraw/zinc/28/75/65/407287565.db2.gz QLXAVAVMRGIBMZ-SFHVURJKSA-N 1 0 320.433 1.245 50 0 DDAARO C[N@@H+]1CCN(C(=O)c2ccccc2N2CCCC2)C[C@H](O)C1 ZINC000097674347 407301282 /nfs/dbraw/zinc/30/12/82/407301282.db2.gz UMKALLPITWHIEP-CQSZACIVSA-N 1 0 303.406 1.035 50 0 DDAARO CC[N@H+](C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 ZINC000106868936 407364097 /nfs/dbraw/zinc/36/40/97/407364097.db2.gz CWVGZXSYEQCIHC-DOTOQJQBSA-N 1 0 319.449 1.204 50 0 DDAARO CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000107351160 407373037 /nfs/dbraw/zinc/37/30/37/407373037.db2.gz PGGYZSXEFHOUIK-XJKSGUPXSA-N 1 0 323.481 1.068 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000124809198 407370104 /nfs/dbraw/zinc/37/01/04/407370104.db2.gz BWVZNJNJKBVBHJ-CYBMUJFWSA-N 1 0 317.389 1.013 50 0 DDAARO CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000125332755 407385372 /nfs/dbraw/zinc/38/53/72/407385372.db2.gz OQLOWALFRNTPBF-GFCCVEGCSA-N 1 0 310.419 1.303 50 0 DDAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000108479929 407386485 /nfs/dbraw/zinc/38/64/85/407386485.db2.gz CBDNRYQIAJAAHD-KBPBESRZSA-N 1 0 319.405 1.928 50 0 DDAARO Cc1occc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257182714 407483904 /nfs/dbraw/zinc/48/39/04/407483904.db2.gz GUDWOPYTQPQIMT-DOTOQJQBSA-N 1 0 314.385 1.811 50 0 DDAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000216226452 407495022 /nfs/dbraw/zinc/49/50/22/407495022.db2.gz YYTWOFWPZASILE-AWEZNQCLSA-N 1 0 305.426 1.945 50 0 DDAARO COCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000253415920 407443497 /nfs/dbraw/zinc/44/34/97/407443497.db2.gz DOPKCNCMCMAKJQ-UHFFFAOYSA-N 1 0 305.378 1.049 50 0 DDAARO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cn1 ZINC000170615538 407455188 /nfs/dbraw/zinc/45/51/88/407455188.db2.gz GOPMSRXCJOIHBS-VXGBXAGGSA-N 1 0 308.382 1.009 50 0 DDAARO C[C@H]([NH3+])CCNS(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000225496876 407590376 /nfs/dbraw/zinc/59/03/76/407590376.db2.gz JEYTWRMVUMPJQA-JTQLQIEISA-N 1 0 305.831 1.344 50 0 DDAARO NC(=O)C1CCN(c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)CC1 ZINC000218957273 407525827 /nfs/dbraw/zinc/52/58/27/407525827.db2.gz YJHBXJWJUFTOCT-UHFFFAOYSA-N 1 0 315.421 1.260 50 0 DDAARO Cc1cccc(S(=O)(=O)NCC[C@H](C)[NH3+])c1Br ZINC000178910063 407652686 /nfs/dbraw/zinc/65/26/86/407652686.db2.gz VZCRHSQCYRESEU-VIFPVBQESA-N 1 0 321.240 1.773 50 0 DDAARO COc1ncccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229173488 407656541 /nfs/dbraw/zinc/65/65/41/407656541.db2.gz ODZLFEOZNVNVRD-KBPBESRZSA-N 1 0 304.394 1.516 50 0 DDAARO OC[C@H]1CCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ncn1 ZINC000229333550 407657157 /nfs/dbraw/zinc/65/71/57/407657157.db2.gz IKLDRJATFVFKNK-HUUCEWRRSA-N 1 0 317.437 1.112 50 0 DDAARO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000225538127 407594327 /nfs/dbraw/zinc/59/43/27/407594327.db2.gz NMXZSWQOUOMAKZ-VXGBXAGGSA-N 1 0 302.378 1.672 50 0 DDAARO Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)[nH]1 ZINC000229631719 407667546 /nfs/dbraw/zinc/66/75/46/407667546.db2.gz FJIGKAQUOXVNPT-YRGRVCCFSA-N 1 0 305.422 1.780 50 0 DDAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](O)C1CCOCC1 ZINC000229719343 407673706 /nfs/dbraw/zinc/67/37/06/407673706.db2.gz BHDATVQTDPQIIS-FQLMCAECSA-N 1 0 312.454 1.257 50 0 DDAARO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229868230 407675575 /nfs/dbraw/zinc/67/55/75/407675575.db2.gz DGBHZHICSHUTFA-UBHSHLNASA-N 1 0 305.378 1.141 50 0 DDAARO COc1ccc(F)cc1[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000261959696 407690833 /nfs/dbraw/zinc/69/08/33/407690833.db2.gz ONQRUDKNDGTBCQ-NSHDSACASA-N 1 0 310.369 1.780 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153448911 407825559 /nfs/dbraw/zinc/82/55/59/407825559.db2.gz ISSGYYNSHNRPKT-TXEJJXNPSA-N 1 0 310.419 1.054 50 0 DDAARO Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237713051 407836609 /nfs/dbraw/zinc/83/66/09/407836609.db2.gz CCZVIYKLFUCYCC-OLZOCXBDSA-N 1 0 301.394 1.512 50 0 DDAARO O=C(CCc1ccccc1OC(F)(F)F)N1CC[NH2+]CC1 ZINC000237716019 407838464 /nfs/dbraw/zinc/83/84/64/407838464.db2.gz NYGRSXCVZZFTID-UHFFFAOYSA-N 1 0 302.296 1.950 50 0 DDAARO CC[NH+]1CCN(CCC(=O)Nc2ccc(F)c([C@@H](C)O)c2)CC1 ZINC000242048085 407912401 /nfs/dbraw/zinc/91/24/01/407912401.db2.gz VSPNQELBUIHJNI-CYBMUJFWSA-N 1 0 323.412 1.845 50 0 DDAARO CC(=O)N[C@@H]1CCCN(Cc2cc(-c3ccncc3)no2)C1 ZINC000244899578 407945641 /nfs/dbraw/zinc/94/56/41/407945641.db2.gz ZMGODAAVSHPPLE-CQSZACIVSA-N 1 0 300.362 1.837 50 0 DDAARO COCc1nc(NCCCn2ccnc2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244574825 407928281 /nfs/dbraw/zinc/92/82/81/407928281.db2.gz CSAMFAUSYJFMMW-JOCQHMNTSA-N 1 0 316.409 1.526 50 0 DDAARO CC(C)Cn1cncc1CNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244712736 407932499 /nfs/dbraw/zinc/93/24/99/407932499.db2.gz KWALEDKDTFRSHJ-TXEJJXNPSA-N 1 0 315.425 1.728 50 0 DDAARO CCc1[nH]nc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c1C ZINC000244875017 407944590 /nfs/dbraw/zinc/94/45/90/407944590.db2.gz XLEGJYVGWQHXDP-XJKCOSOUSA-N 1 0 320.437 1.149 50 0 DDAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000170656849 162186399 /nfs/dbraw/zinc/18/63/99/162186399.db2.gz VSBBYWSWQQQFPU-HNNXBMFYSA-N 1 0 312.435 1.347 50 0 DDAARO C[C@@H]1CN(Cc2ccnn2C)C[C@H](C)N1Cc1ccnn1C ZINC000191139401 408376701 /nfs/dbraw/zinc/37/67/01/408376701.db2.gz VAMXLRBNYTTXTE-OKILXGFUSA-N 1 0 302.426 1.248 50 0 DDAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(=O)C1 ZINC000192228485 408561074 /nfs/dbraw/zinc/56/10/74/408561074.db2.gz FFWYTSWCMAGMPF-KRWDZBQOSA-N 1 0 316.401 1.373 50 0 DDAARO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000252496769 408800038 /nfs/dbraw/zinc/80/00/38/408800038.db2.gz PRKDXKUVHSUTNX-UHFFFAOYSA-N 1 0 321.446 1.948 50 0 DDAARO COc1cccc2c1CC[N@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000252501132 408800741 /nfs/dbraw/zinc/80/07/41/408800741.db2.gz UCVQPOBWOYDRDE-UHFFFAOYSA-N 1 0 317.433 1.217 50 0 DDAARO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511416 408802582 /nfs/dbraw/zinc/80/25/82/408802582.db2.gz GNRHGQFNFVUDTO-UONOGXRCSA-N 1 0 323.403 1.569 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000252668184 408808558 /nfs/dbraw/zinc/80/85/58/408808558.db2.gz DWDCSSLYJUNAMS-QMTHXVAHSA-N 1 0 318.389 1.724 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000249702629 408756734 /nfs/dbraw/zinc/75/67/34/408756734.db2.gz ZBXKLTHHAFXICR-IMJJTQAJSA-N 1 0 319.449 1.473 50 0 DDAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cn(CCO)nc3C)[C@H]2C1 ZINC000299759837 410607859 /nfs/dbraw/zinc/60/78/59/410607859.db2.gz NTRWOMWJMWOSAR-IXDOHACOSA-N 1 0 323.437 1.342 50 0 DDAARO O=C(c1nn(Cc2ccncc2)c2c1C[NH2+]CC2)N1CCCC1 ZINC000299761933 410612558 /nfs/dbraw/zinc/61/25/58/410612558.db2.gz CASUAZXFSXUFJJ-UHFFFAOYSA-N 1 0 311.389 1.208 50 0 DDAARO Cn1cnnc1-c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299780325 410624301 /nfs/dbraw/zinc/62/43/01/410624301.db2.gz RYMOYGINUWINFG-GXTWGEPZSA-N 1 0 312.377 1.308 50 0 DDAARO [NH3+]CCCOc1ccc(F)cc1C(=O)NC[C@@H]1CCCOC1 ZINC000299791481 410632424 /nfs/dbraw/zinc/63/24/24/410632424.db2.gz DVJDOVIGUKKCHH-LBPRGKRZSA-N 1 0 310.369 1.710 50 0 DDAARO CCc1n[nH]cc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000299790733 410632549 /nfs/dbraw/zinc/63/25/49/410632549.db2.gz CKVJKIQDTYQAKH-CYBMUJFWSA-N 1 0 320.437 1.545 50 0 DDAARO Cc1cc(=O)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)o1 ZINC000299802518 410641541 /nfs/dbraw/zinc/64/15/41/410641541.db2.gz YIBYCMZYTVKGGY-HUUCEWRRSA-N 1 0 316.401 1.895 50 0 DDAARO Cc1cc(=O)n2nc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)sc2n1 ZINC000132537310 196263548 /nfs/dbraw/zinc/26/35/48/196263548.db2.gz IFGMZXUWZIKBPX-SNVBAGLBSA-N 1 0 322.434 1.895 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000134028483 196355139 /nfs/dbraw/zinc/35/51/39/196355139.db2.gz VLDHSEVMGHBHCE-NSHDSACASA-N 1 0 305.407 1.368 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3ccc(OC)cc3)n2)C1 ZINC000134058777 196357267 /nfs/dbraw/zinc/35/72/67/196357267.db2.gz WBTNWPYDRPYMPM-ZDUSSCGKSA-N 1 0 314.389 1.705 50 0 DDAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCC[NH+](C)C)C1=O ZINC000003907325 287343605 /nfs/dbraw/zinc/34/36/05/287343605.db2.gz JMEZCDBUIOPASL-AWEZNQCLSA-N 1 0 319.405 1.177 50 0 DDAARO c1ncn(-c2ncccc2C[NH2+]Cc2cccc3c2OCO3)n1 ZINC000044948758 418434008 /nfs/dbraw/zinc/43/40/08/418434008.db2.gz QLXKLJIBULYMKD-UHFFFAOYSA-N 1 0 309.329 1.681 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000048427191 418472112 /nfs/dbraw/zinc/47/21/12/418472112.db2.gz AQDHGTYUFAUERE-UHFFFAOYSA-N 1 0 316.405 1.437 50 0 DDAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1 ZINC000107505605 418498508 /nfs/dbraw/zinc/49/85/08/418498508.db2.gz NKMPXKHNXDWAPU-IFIJOSMWSA-N 1 0 316.405 1.795 50 0 DDAARO CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000257366314 418568152 /nfs/dbraw/zinc/56/81/52/418568152.db2.gz RLHIHNMHJOJCDY-QXSJWSMHSA-N 1 0 312.454 1.615 50 0 DDAARO COCC[N@@H+](Cc1ccccc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000239433437 222210108 /nfs/dbraw/zinc/21/01/08/222210108.db2.gz XRWCDBJOPYEFGF-QZTJIDSGSA-N 1 0 323.433 1.692 50 0 DDAARO COCC(C)(C)[NH+]1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC000424996566 228345956 /nfs/dbraw/zinc/34/59/56/228345956.db2.gz DIVFCHNKMDXDRE-UHFFFAOYSA-N 1 0 308.426 1.138 50 0 DDAARO CC(C)c1nccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000426510142 419493974 /nfs/dbraw/zinc/49/39/74/419493974.db2.gz NTKBNBRLIPHEJI-ZDUSSCGKSA-N 1 0 306.410 1.177 50 0 DDAARO CCN(C(=O)c1ccc(OC)c(OCC[NH3+])c1)C1CCOCC1 ZINC000426383103 419454472 /nfs/dbraw/zinc/45/44/72/419454472.db2.gz HZPNIGOAOZNREA-UHFFFAOYSA-N 1 0 322.405 1.674 50 0 DDAARO Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1Cl ZINC000426387317 419454736 /nfs/dbraw/zinc/45/47/36/419454736.db2.gz ROFBNDLFAPAJTH-QWRGUYRKSA-N 1 0 312.801 1.043 50 0 DDAARO 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/nfs/dbraw/zinc/27/36/68/257273668.db2.gz NPJVALCFDADNOZ-UHFFFAOYSA-N 1 0 318.465 1.562 50 0 DDAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000237495523 257238331 /nfs/dbraw/zinc/23/83/31/257238331.db2.gz GNSVODLXRBPVMH-YPMHNXCESA-N 1 0 302.353 1.963 50 0 DDAARO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)COc1ccc(F)cc1 ZINC000019999924 257268818 /nfs/dbraw/zinc/26/88/18/257268818.db2.gz MUTDGEJUSCEJTN-ZDUSSCGKSA-N 1 0 310.369 1.384 50 0 DDAARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 ZINC000069653072 184831891 /nfs/dbraw/zinc/83/18/91/184831891.db2.gz CVHPSHJEIQRWHY-GDBMZVCRSA-N 1 0 309.454 1.302 50 0 DDAARO C[C@@H]1CCc2nc(C[NH2+]CC3(C(N)=O)CCOCC3)sc2C1 ZINC000152134897 407569032 /nfs/dbraw/zinc/56/90/32/407569032.db2.gz ZPMQMTVCTSXGJD-LLVKDONJSA-N 1 0 323.462 1.640 50 0 DDAARO COc1ncccc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048414498 286573599 /nfs/dbraw/zinc/57/35/99/286573599.db2.gz POYTWRWKDQIKCX-GFCCVEGCSA-N 1 0 308.382 1.059 50 0 DDAARO CN1C(=O)C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000000112179 406622653 /nfs/dbraw/zinc/62/26/53/406622653.db2.gz CPCLPXGSRWIPTQ-AWEZNQCLSA-N 1 0 312.373 1.500 50 0 aggregator DDAARO NC(=O)C1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000000176268 406628300 /nfs/dbraw/zinc/62/83/00/406628300.db2.gz HFZHYZXUZHFTIT-UHFFFAOYSA-N 1 0 315.417 1.701 50 0 DDAARO NC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000000253798 406633148 /nfs/dbraw/zinc/63/31/48/406633148.db2.gz SXPOJNVYVPTDCG-UHFFFAOYSA-N 1 0 309.797 1.866 50 0 DDAARO COc1ccc(I)cc1C[NH2+]CCO ZINC000002862395 406705606 /nfs/dbraw/zinc/70/56/06/406705606.db2.gz KICWFAWHZCZNPE-UHFFFAOYSA-N 1 0 307.131 1.382 50 0 DDAARO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncnc3c2CCC3)CC1 ZINC000069658962 406752223 /nfs/dbraw/zinc/75/22/23/406752223.db2.gz AQOJJBDTPSSLFW-CYBMUJFWSA-N 1 0 304.438 1.494 50 0 DDAARO Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069659173 406752456 /nfs/dbraw/zinc/75/24/56/406752456.db2.gz IXXZJDJMZPIBPX-UONOGXRCSA-N 1 0 313.405 1.737 50 0 DDAARO Cc1ccccc1C(C)(C)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000069739511 406767015 /nfs/dbraw/zinc/76/70/15/406767015.db2.gz SUYBXQONQGCZPF-UHFFFAOYSA-N 1 0 315.417 1.460 50 0 DDAARO C[C@@H](Cn1cccn1)C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069771559 406768559 /nfs/dbraw/zinc/76/85/59/406768559.db2.gz QKYCLBRWVHOZOT-GJZGRUSLSA-N 1 0 322.453 1.070 50 0 DDAARO CC(=O)NC1(NC(C)=O)C[C@@H](c2ccccc2)[N@@H+](C)C[C@H]1C ZINC000004952818 406727964 /nfs/dbraw/zinc/72/79/64/406727964.db2.gz GPYHFBRENGHUGZ-WBMJQRKESA-N 1 0 303.406 1.668 50 0 DDAARO CN(C)C(=O)c1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000069819196 406778263 /nfs/dbraw/zinc/77/82/63/406778263.db2.gz DWJVDUQSVDMVKQ-MRXNPFEDSA-N 1 0 305.422 1.151 50 0 DDAARO C[C@H](CC(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)n1cccc1 ZINC000069819054 406778361 /nfs/dbraw/zinc/77/83/61/406778361.db2.gz MNBZBOISBPLOJX-HZPDHXFCSA-N 1 0 321.465 1.990 50 0 DDAARO C[C@H](O)C[NH+]1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000069847044 406782421 /nfs/dbraw/zinc/78/24/21/406782421.db2.gz HMEJZLBLCJZTAT-ZDUSSCGKSA-N 1 0 303.381 1.872 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CC2 ZINC000069809915 406773309 /nfs/dbraw/zinc/77/33/09/406773309.db2.gz ICIBHFBIBIEQEO-HNNXBMFYSA-N 1 0 308.389 1.877 50 0 DDAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000069808991 406774629 /nfs/dbraw/zinc/77/46/29/406774629.db2.gz LEMIOSNIAAEJGR-CQSZACIVSA-N 1 0 304.390 1.901 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000008060067 406776810 /nfs/dbraw/zinc/77/68/10/406776810.db2.gz GXFQCOKWRAGWJM-UHFFFAOYSA-N 1 0 323.418 1.832 50 0 DDAARO C[C@H](O)C[NH+]1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000069842273 406777727 /nfs/dbraw/zinc/77/77/27/406777727.db2.gz MMJWTNVVRGHFOP-AWEZNQCLSA-N 1 0 318.396 1.510 50 0 DDAARO Cn1c(C[N@H+](C)[C@H]2CCCc3ccccc32)cc(=O)n(C)c1=O ZINC000008769483 406794579 /nfs/dbraw/zinc/79/45/79/406794579.db2.gz VYTSBZUTJDYJPE-INIZCTEOSA-N 1 0 313.401 1.593 50 0 DDAARO CCCN(C(=O)C[NH2+]C[C@H]1CN(C)CCO1)C1=CCCCC1 ZINC000069895013 406785588 /nfs/dbraw/zinc/78/55/88/406785588.db2.gz OTDLQBOZOUZIKM-INIZCTEOSA-N 1 0 309.454 1.603 50 0 DDAARO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CCOCCO ZINC000009549102 406811035 /nfs/dbraw/zinc/81/10/35/406811035.db2.gz NOCKAYVSDNGVPC-LLVKDONJSA-N 1 0 300.786 1.656 50 0 DDAARO COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000071385419 406839652 /nfs/dbraw/zinc/83/96/52/406839652.db2.gz KWHAILCNAZMEAH-KGLIPLIRSA-N 1 0 306.406 1.921 50 0 DDAARO COc1cc(C(=O)NCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC000071186326 406833965 /nfs/dbraw/zinc/83/39/65/406833965.db2.gz ROAWPKBZDXSSNO-UHFFFAOYSA-N 1 0 310.394 1.782 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(C)c1O ZINC000071278602 406836313 /nfs/dbraw/zinc/83/63/13/406836313.db2.gz HXTQWSZMOCJIHE-OCCSQVGLSA-N 1 0 319.405 1.111 50 0 DDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000071310474 406837048 /nfs/dbraw/zinc/83/70/48/406837048.db2.gz REFCWLYPHFNJHC-QMMMGPOBSA-N 1 0 309.218 1.976 50 0 DDAARO C[NH+](C)C1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000071824107 406847966 /nfs/dbraw/zinc/84/79/66/406847966.db2.gz MURUZUXMHPUVBS-AWEZNQCLSA-N 1 0 317.437 1.246 50 0 DDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3c2OCCO3)C[C@@H]1C ZINC000071864603 406854959 /nfs/dbraw/zinc/85/49/59/406854959.db2.gz FLZTYQUQFCFYGV-UONOGXRCSA-N 1 0 306.406 1.345 50 0 DDAARO COC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000071888992 406862035 /nfs/dbraw/zinc/86/20/35/406862035.db2.gz POCJKCSBXVJQQT-GFCCVEGCSA-N 1 0 302.374 1.687 50 0 DDAARO C[NH+]1CCN(c2nc(-c3ccccc3Cl)cc(=O)[nH]2)CC1 ZINC000013682763 406865660 /nfs/dbraw/zinc/86/56/60/406865660.db2.gz STSCXUWONMIIAA-UHFFFAOYSA-N 1 0 304.781 1.842 50 0 DDAARO COCCCN(C(=O)c1ncccc1O)C1CC[NH+](C)CC1 ZINC000072125532 406874063 /nfs/dbraw/zinc/87/40/63/406874063.db2.gz HJERJYJNNWTGKC-UHFFFAOYSA-N 1 0 307.394 1.360 50 0 DDAARO CCCOc1ccc(OCC[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000072267993 406875695 /nfs/dbraw/zinc/87/56/95/406875695.db2.gz SEBZKSVMOYSVPG-KRWDZBQOSA-N 1 0 308.422 1.774 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000072282354 406878371 /nfs/dbraw/zinc/87/83/71/406878371.db2.gz JADBJDPIYYCYFL-DZGCQCFKSA-N 1 0 315.483 1.664 50 0 DDAARO Cc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F ZINC000072300555 406880463 /nfs/dbraw/zinc/88/04/63/406880463.db2.gz BJKHDNAUUGMUQJ-WFASDCNBSA-N 1 0 314.426 1.894 50 0 DDAARO CC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2[NH3+] ZINC000019331553 406885001 /nfs/dbraw/zinc/88/50/01/406885001.db2.gz XYJWJNNALHKUPZ-UHFFFAOYSA-N 1 0 301.390 1.399 50 0 DDAARO OCCN1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000020734507 406887369 /nfs/dbraw/zinc/88/73/69/406887369.db2.gz IWROFJGAVGGXRX-UHFFFAOYSA-N 1 0 302.353 1.397 50 0 DDAARO C[C@H](CNC(=O)c1nccnc1N)[N@@H+]1CCc2ccccc2C1 ZINC000025639331 406898794 /nfs/dbraw/zinc/89/87/94/406898794.db2.gz FGQSCEVOCRPGCC-GFCCVEGCSA-N 1 0 311.389 1.235 50 0 DDAARO [NH3+]C[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000035287557 406970596 /nfs/dbraw/zinc/97/05/96/406970596.db2.gz HPIRTIMESGRRFW-CYBMUJFWSA-N 1 0 302.340 1.946 50 0 DDAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000075133246 406923299 /nfs/dbraw/zinc/92/32/99/406923299.db2.gz XJGILEPZVROFSI-HIFRSBDPSA-N 1 0 314.389 1.501 50 0 DDAARO O=C(CC[N@@H+]1CCCC[C@H]1Cn1cncn1)N1CCCCC1 ZINC000075131954 406924138 /nfs/dbraw/zinc/92/41/38/406924138.db2.gz CHNNHAWRYWCKIL-HNNXBMFYSA-N 1 0 305.426 1.535 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000031813064 406942782 /nfs/dbraw/zinc/94/27/82/406942782.db2.gz VNUJJPRYJJKCNT-UHFFFAOYSA-N 1 0 314.389 1.709 50 0 DDAARO C[C@@H](CNS(=O)(=O)N1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000032441084 406948084 /nfs/dbraw/zinc/94/80/84/406948084.db2.gz SQASRMZDNXWZQU-CABCVRRESA-N 1 0 317.499 1.960 50 0 DDAARO CC(C)[NH+]1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000032537136 406949066 /nfs/dbraw/zinc/94/90/66/406949066.db2.gz NBRKSBBUJOZAGV-UHFFFAOYSA-N 1 0 300.406 1.423 50 0 DDAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000044492870 407024765 /nfs/dbraw/zinc/02/47/65/407024765.db2.gz ALWGMBIINFSARF-JTQLQIEISA-N 1 0 318.826 1.769 50 0 DDAARO Cn1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)c(=O)n(C)c1=O ZINC000078552561 407033150 /nfs/dbraw/zinc/03/31/50/407033150.db2.gz SXFNKKIUKZVJKL-MRXNPFEDSA-N 1 0 313.401 1.715 50 0 DDAARO CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000044937559 407034570 /nfs/dbraw/zinc/03/45/70/407034570.db2.gz CNURHQFLNISXLY-HZPDHXFCSA-N 1 0 322.430 1.794 50 0 DDAARO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000044966384 407036017 /nfs/dbraw/zinc/03/60/17/407036017.db2.gz RGSKOWXIPUQQIS-RRFJBIMHSA-N 1 0 320.437 1.808 50 0 DDAARO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000045617540 407046541 /nfs/dbraw/zinc/04/65/41/407046541.db2.gz BOFKZTMSKKUBGD-UXLLHSPISA-N 1 0 319.449 1.515 50 0 DDAARO O=C1CCCN1CCC[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000077375363 406987591 /nfs/dbraw/zinc/98/75/91/406987591.db2.gz BRGCSSOXPRWUBZ-UHFFFAOYSA-N 1 0 317.364 1.769 50 0 DDAARO O=C(OCc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000084539399 407089915 /nfs/dbraw/zinc/08/99/15/407089915.db2.gz VYRQGBABNSYGLP-MRXNPFEDSA-N 1 0 304.390 1.977 50 0 DDAARO Cc1c([C@@H](C)NC(=O)NCCC[NH+]2CCCCC2)cnn1C ZINC000048290491 407093891 /nfs/dbraw/zinc/09/38/91/407093891.db2.gz SKJOASFNQRHPBI-CYBMUJFWSA-N 1 0 307.442 1.965 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000048301562 407094564 /nfs/dbraw/zinc/09/45/64/407094564.db2.gz FZVFPOIUYUITAJ-CQSZACIVSA-N 1 0 316.405 1.421 50 0 DDAARO COc1ccc(CC(=O)N2CCOC[C@H]2C[NH+](C)C)cc1OC ZINC000085470003 407102568 /nfs/dbraw/zinc/10/25/68/407102568.db2.gz UJHZZHKJKBEKEA-CQSZACIVSA-N 1 0 322.405 1.035 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)nc2n1 ZINC000047147823 407071031 /nfs/dbraw/zinc/07/10/31/407071031.db2.gz BTCNHCJBPRHZKX-LLVKDONJSA-N 1 0 316.409 1.203 50 0 DDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2nncs2)CC1 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Cc1ccc2ncc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c(O)c2c1 ZINC000091586410 407182184 /nfs/dbraw/zinc/18/21/84/407182184.db2.gz JKPJDYFPEOIDNZ-CABCVRRESA-N 1 0 311.385 1.646 50 0 DDAARO C[N@H+](CCCNC(=O)CCn1cncn1)Cc1ccccc1 ZINC000055541806 407205451 /nfs/dbraw/zinc/20/54/51/407205451.db2.gz OXDYNRGRJDAYET-UHFFFAOYSA-N 1 0 301.394 1.307 50 0 DDAARO NC(=O)C1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000055897557 407208204 /nfs/dbraw/zinc/20/82/04/407208204.db2.gz FLKOTDJTBQLPJC-UHFFFAOYSA-N 1 0 321.446 1.220 50 0 DDAARO CNC(=O)CCCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095371796 407210638 /nfs/dbraw/zinc/21/06/38/407210638.db2.gz ANJYUJGVAPXPKH-OAHLLOKOSA-N 1 0 303.406 1.410 50 0 DDAARO O=C(NCC[N@H+](CC1CC1)C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000095410565 407213242 /nfs/dbraw/zinc/21/32/42/407213242.db2.gz GJRXYGNJVSGPCA-KRWDZBQOSA-N 1 0 307.438 1.683 50 0 DDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000095426500 407213254 /nfs/dbraw/zinc/21/32/54/407213254.db2.gz 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407221301 /nfs/dbraw/zinc/22/13/01/407221301.db2.gz OIDGVZZYOHGFIF-KBPBESRZSA-N 1 0 324.446 1.197 50 0 DDAARO C[C@H]1CCCCN1C(=O)CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096415711 407262304 /nfs/dbraw/zinc/26/23/04/407262304.db2.gz BPRLRUITIXDBDS-INIZCTEOSA-N 1 0 323.481 1.574 50 0 DDAARO Cc1nn(C)c2nc(N3CC[NH+](C4CCOCC4)CC3)sc12 ZINC000096133405 407239395 /nfs/dbraw/zinc/23/93/95/407239395.db2.gz CGQYDZZRKHVHMI-UHFFFAOYSA-N 1 0 321.450 1.639 50 0 DDAARO Cc1nc(Cn2nc(C)c(C)cc2=O)n(C2CC[NH+](C)CC2)n1 ZINC000096130304 407239713 /nfs/dbraw/zinc/23/97/13/407239713.db2.gz GPPXIWQGNUUQSQ-UHFFFAOYSA-N 1 0 316.409 1.075 50 0 DDAARO CN(C)C(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255873 407241248 /nfs/dbraw/zinc/24/12/48/407241248.db2.gz TYHGPWIIGCPVBD-INIZCTEOSA-N 1 0 310.401 1.934 50 0 DDAARO C[N@@H+]1CCCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 ZINC000096179659 407243325 /nfs/dbraw/zinc/24/33/25/407243325.db2.gz CCFLEDCCOOTVLI-UHFFFAOYSA-N 1 0 314.389 1.432 50 0 DDAARO C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096427692 407264995 /nfs/dbraw/zinc/26/49/95/407264995.db2.gz QCPCBADRPKEHAL-RYUDHWBXSA-N 1 0 301.456 1.035 50 0 DDAARO COCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C)c(C)s2)C1 ZINC000096440585 407266374 /nfs/dbraw/zinc/26/63/74/407266374.db2.gz CGJXGIIDHGGUKS-LBPRGKRZSA-N 1 0 312.439 1.280 50 0 DDAARO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1cccnc1 ZINC000096441540 407266991 /nfs/dbraw/zinc/26/69/91/407266991.db2.gz HXSBFFGKHMMQFR-MRXNPFEDSA-N 1 0 304.438 1.504 50 0 DDAARO CC(=O)N(C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067360880 407271893 /nfs/dbraw/zinc/27/18/93/407271893.db2.gz KGMGZOFBGCIDIV-QGZVFWFLSA-N 1 0 317.433 1.636 50 0 DDAARO CC(C)[C@@H](CO)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097094643 407279523 /nfs/dbraw/zinc/27/95/23/407279523.db2.gz MAFIXHVPRWWWTI-CQSZACIVSA-N 1 0 300.424 1.043 50 0 DDAARO CNC(=O)c1ccc(C[NH2+]Cc2c(C)nn(CCO)c2C)cc1 ZINC000097159882 407284395 /nfs/dbraw/zinc/28/43/95/407284395.db2.gz 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CC(C)N1C(=O)C2(CCCC2)[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000257193285 407486309 /nfs/dbraw/zinc/48/63/09/407486309.db2.gz XVWXXTYIVNDODC-OAHLLOKOSA-N 1 0 321.465 1.719 50 0 DDAARO Cc1n[nH]cc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257192935 407486903 /nfs/dbraw/zinc/48/69/03/407486903.db2.gz WKJTVPBJFJCPNK-GDBMZVCRSA-N 1 0 311.389 1.460 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000178541524 407487634 /nfs/dbraw/zinc/48/76/34/407487634.db2.gz LSMQVGQMFNVCTH-ZBFHGGJFSA-N 1 0 305.397 1.597 50 0 DDAARO COc1cccc(C[N@@H+]2CCCOCCNC(=O)CC2)c1OC ZINC000257197021 407489387 /nfs/dbraw/zinc/48/93/87/407489387.db2.gz ZHQDYZYYRKCSEW-UHFFFAOYSA-N 1 0 322.405 1.432 50 0 DDAARO CCOc1cccc(C[N@@H+]2C[C@@H](COC)[C@H](C(=O)N(C)C)C2)c1 ZINC000253414053 407442292 /nfs/dbraw/zinc/44/22/92/407442292.db2.gz WIEWOSLCEHIXIO-DOTOQJQBSA-N 1 0 320.433 1.868 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC000219003033 407526505 /nfs/dbraw/zinc/52/65/05/407526505.db2.gz IGUHCTKWAIWXMX-GJQVQUKXSA-N 1 0 312.772 1.926 50 0 DDAARO CCc1nc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)cs1 ZINC000219864392 407534812 /nfs/dbraw/zinc/53/48/12/407534812.db2.gz PUCUQENKEIKVPF-UHFFFAOYSA-N 1 0 304.423 1.895 50 0 DDAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cccc(OC)c2)C1 ZINC000229310437 407658588 /nfs/dbraw/zinc/65/85/88/407658588.db2.gz NIZMYKAMQAQAFD-DOMZBBRYSA-N 1 0 312.435 1.455 50 0 DDAARO CC(C)CN1CCO[C@H](C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748997 407672482 /nfs/dbraw/zinc/67/24/82/407672482.db2.gz FWVCFYHZWSCPQO-HZPDHXFCSA-N 1 0 306.454 1.946 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000179006075 407689069 /nfs/dbraw/zinc/68/90/69/407689069.db2.gz FSXOMPRPHWNNFL-ZDUSSCGKSA-N 1 0 324.446 1.552 50 0 DDAARO COCCNC(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000239808046 407905765 /nfs/dbraw/zinc/90/57/65/407905765.db2.gz KFCLFQNVNCNSQI-UHFFFAOYSA-N 1 0 306.410 1.552 50 0 DDAARO C[C@@H](c1cccc(F)c1)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000241231155 407909567 /nfs/dbraw/zinc/90/95/67/407909567.db2.gz KSOCEEMVNSBCAT-SWLSCSKDSA-N 1 0 309.385 1.005 50 0 DDAARO COCCn1cncc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000244647094 407926741 /nfs/dbraw/zinc/92/67/41/407926741.db2.gz GUYLNZJPYISUMN-UHFFFAOYSA-N 1 0 324.494 1.543 50 0 DDAARO COc1ccccc1OCCC[N@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000244764097 407939485 /nfs/dbraw/zinc/93/94/85/407939485.db2.gz PBIPENOTTRVEOG-FZKCQIBNSA-N 1 0 321.417 1.528 50 0 DDAARO O=C(NCCc1c[nH]cn1)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000244986258 407944426 /nfs/dbraw/zinc/94/44/26/407944426.db2.gz JMZLYFMCZUJZLD-AWEZNQCLSA-N 1 0 316.361 1.335 50 0 DDAARO COc1ccc([C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244900044 407944533 /nfs/dbraw/zinc/94/45/33/407944533.db2.gz ZVDLKAYJHJOADR-JKIFEVAISA-N 1 0 321.421 1.360 50 0 DDAARO COc1cccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000191358231 408413027 /nfs/dbraw/zinc/41/30/27/408413027.db2.gz VOWNPFPYOCDORU-IRXDYDNUSA-N 1 0 319.449 1.948 50 0 DDAARO CCOC(=O)c1cccnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184131892 408554437 /nfs/dbraw/zinc/55/44/37/408554437.db2.gz ILEDPFUEKPVTPM-CQSZACIVSA-N 1 0 319.405 1.417 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000249208763 408704875 /nfs/dbraw/zinc/70/48/75/408704875.db2.gz SEIRROIKJQDMQY-RISCZKNCSA-N 1 0 321.808 1.974 50 0 DDAARO Cc1nc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)no1 ZINC000162664344 408724290 /nfs/dbraw/zinc/72/42/90/408724290.db2.gz RBDXVNAEJBOTFM-UHFFFAOYSA-N 1 0 309.414 1.641 50 0 DDAARO O=C(C[N@@H+]1CCCC[C@@H]1CCc1ccccn1)N1CCOCC1 ZINC000252485622 408796243 /nfs/dbraw/zinc/79/62/43/408796243.db2.gz HAODRIPUJCAQQP-QGZVFWFLSA-N 1 0 317.433 1.728 50 0 DDAARO CCc1noc2ncc(S(=O)(=O)NC[C@H]3CCC[NH2+]C3)cc12 ZINC000252484671 408796572 /nfs/dbraw/zinc/79/65/72/408796572.db2.gz GEBHPORHSHWCED-JTQLQIEISA-N 1 0 324.406 1.063 50 0 DDAARO COc1cc(C)ccc1OCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000252487011 408799014 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Cc1nc2c(c(NCc3ccc4c(c3)OCO4)n1)CC[NH2+]CC2 ZINC000072406763 191152909 /nfs/dbraw/zinc/15/29/09/191152909.db2.gz OPBWSYGXKPAXCY-UHFFFAOYSA-N 1 0 312.373 1.814 50 0 DDAARO CCOCc1nc2c(c(N3CCSCC3)n1)CC[NH2+]CC2 ZINC000072409164 191154300 /nfs/dbraw/zinc/15/43/00/191154300.db2.gz YSGHPDXDBUBOSI-UHFFFAOYSA-N 1 0 308.451 1.255 50 0 DDAARO COc1ccc(C[C@H](C)[NH+]2CCN(CCO)CC2)cc1OC ZINC000023283526 352183176 /nfs/dbraw/zinc/18/31/76/352183176.db2.gz SAGCILVAXUSDJH-AWEZNQCLSA-N 1 0 308.422 1.245 50 0 DDAARO Cc1ncc2c(c1CNC(=O)[C@H]1CCOC(C)(C)C1)CC[NH2+]C2 ZINC000072463762 191174675 /nfs/dbraw/zinc/17/46/75/191174675.db2.gz WAYKLMQFANMQFN-ZDUSSCGKSA-N 1 0 317.433 1.857 50 0 DDAARO Cc1ncc2c(c1CNC(=O)CCCc1cn[nH]c1)CC[NH2+]C2 ZINC000072476022 191177374 /nfs/dbraw/zinc/17/73/74/191177374.db2.gz DJSULDQAGTTXHQ-UHFFFAOYSA-N 1 0 313.405 1.398 50 0 DDAARO COC(=O)c1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)ccc1O ZINC000072479856 191180481 /nfs/dbraw/zinc/18/04/81/191180481.db2.gz MXICGIAMGLGKDL-KRWDZBQOSA-N 1 0 322.405 1.067 50 0 DDAARO C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868654 191244404 /nfs/dbraw/zinc/24/44/04/191244404.db2.gz LRQIGJYLPWOGCB-HIFRSBDPSA-N 1 0 318.421 1.024 50 0 DDAARO O=C(c1cc2ccccc2[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269065 353195891 /nfs/dbraw/zinc/19/58/91/353195891.db2.gz KBWWEZOFSPPOTF-IRXDYDNUSA-N 1 0 313.401 1.839 50 0 DDAARO CC[NH+](CC)Cc1cc(OC)c(OC)cc1NS(C)(=O)=O ZINC000096027774 353914269 /nfs/dbraw/zinc/91/42/69/353914269.db2.gz CBUPWCBFGSGEPY-UHFFFAOYSA-N 1 0 316.423 1.917 50 0 DDAARO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 ZINC000252536510 354383954 /nfs/dbraw/zinc/38/39/54/354383954.db2.gz IUBSCYYJJZMBRU-CQSZACIVSA-N 1 0 318.421 1.404 50 0 DDAARO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCC[NH2+]1 ZINC000073343045 191306229 /nfs/dbraw/zinc/30/62/29/191306229.db2.gz YUSXOODJFCWINA-CYBMUJFWSA-N 1 0 300.362 1.024 50 0 DDAARO Cc1nc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cs1 ZINC000073472899 191319717 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Cc1ccc([C@@H](CNC(=O)NCC2(O)CCC2)[NH+]2CCCC2)o1 ZINC000089652516 192835148 /nfs/dbraw/zinc/83/51/48/192835148.db2.gz WPZWBQUIDWHDMD-CQSZACIVSA-N 1 0 321.421 1.939 50 0 DDAARO O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237773144 202351357 /nfs/dbraw/zinc/35/13/57/202351357.db2.gz PKRXELZFKZXYHU-OLZOCXBDSA-N 1 0 323.387 1.655 50 0 DDAARO Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(C[NH3+])cc3)C2)no1 ZINC000237773204 202352061 /nfs/dbraw/zinc/35/20/61/202352061.db2.gz HDOYZQOKIVLMAU-AWEZNQCLSA-N 1 0 314.389 1.932 50 0 DDAARO COC(=O)c1ccc(S(=O)(=O)NCCCC[NH3+])cc1Cl ZINC000194744511 201283416 /nfs/dbraw/zinc/28/34/16/201283416.db2.gz OPSIIFJSNXIOAU-UHFFFAOYSA-N 1 0 320.798 1.144 50 0 DDAARO COc1ccc([C@@H]2CN(Cc3c[nH]cn3)C[C@H]2[NH+](C)C)cc1 ZINC000091452581 193058244 /nfs/dbraw/zinc/05/82/44/193058244.db2.gz RKAFGRJGAHGTFC-DLBZAZTESA-N 1 0 300.406 1.948 50 0 DDAARO C[N@@H+]1CCC[C@@H](CCC(=O)N(CCO)Cc2nccs2)C1 ZINC000091535769 193070994 /nfs/dbraw/zinc/07/09/94/193070994.db2.gz YSTZRTOSFIVTJW-ZDUSSCGKSA-N 1 0 311.451 1.586 50 0 DDAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000091593432 193076863 /nfs/dbraw/zinc/07/68/63/193076863.db2.gz GIBSWEFKXYRFBS-UHFFFAOYSA-N 1 0 315.421 1.793 50 0 DDAARO COCC[NH+]1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000091663419 193086384 /nfs/dbraw/zinc/08/63/84/193086384.db2.gz SVVHQEJEEVHZJH-UHFFFAOYSA-N 1 0 318.425 1.194 50 0 DDAARO Cc1cccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1C ZINC000091694437 193092504 /nfs/dbraw/zinc/09/25/04/193092504.db2.gz NUGTWESLARKDOQ-HZPDHXFCSA-N 1 0 320.433 1.311 50 0 DDAARO Cc1cc(C)n(CCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)n1 ZINC000219751384 201561707 /nfs/dbraw/zinc/56/17/07/201561707.db2.gz JPYHFRDNFOICFQ-UHFFFAOYSA-N 1 0 315.425 1.213 50 0 DDAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250973355 202822948 /nfs/dbraw/zinc/82/29/48/202822948.db2.gz DDODBSNBMVSNLF-STQMWFEESA-N 1 0 312.435 1.752 50 0 DDAARO COc1cc(Cl)ccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000261971501 203164258 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C[NH+]1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000023110429 182347679 /nfs/dbraw/zinc/34/76/79/182347679.db2.gz FDVUUCOIKMKDCO-CQSZACIVSA-N 1 0 319.430 1.700 50 0 DDAARO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1nncn1C ZINC000043108837 183337984 /nfs/dbraw/zinc/33/79/84/183337984.db2.gz VNZBQYLNUBAZHM-LBPRGKRZSA-N 1 0 308.430 1.440 50 0 DDAARO CCCNC(=O)[C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000043794041 183386643 /nfs/dbraw/zinc/38/66/43/183386643.db2.gz HVVYGQKEWPONGF-ZDUSSCGKSA-N 1 0 312.458 1.321 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1 ZINC000044919667 183458418 /nfs/dbraw/zinc/45/84/18/183458418.db2.gz IAUBXXGXHQCCRU-AAEUAGOBSA-N 1 0 324.450 1.258 50 0 DDAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(=O)[nH]n1 ZINC000045581714 183516792 /nfs/dbraw/zinc/51/67/92/183516792.db2.gz SYDZRWFFBJXEIT-UHFFFAOYSA-N 1 0 314.389 1.954 50 0 DDAARO O=C1C[C@@H]([NH+]2CCCCCC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000004197159 284832763 /nfs/dbraw/zinc/83/27/63/284832763.db2.gz ZZLVWVGNQGLPLU-CYBMUJFWSA-N 1 0 316.357 1.923 50 0 DDAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)c1ccoc1C ZINC000058309455 184103666 /nfs/dbraw/zinc/10/36/66/184103666.db2.gz HLEIAHIRUOLTMW-CYBMUJFWSA-N 1 0 323.437 1.945 50 0 DDAARO COc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1OC ZINC000058393222 184111722 /nfs/dbraw/zinc/11/17/22/184111722.db2.gz JPCOXCWSVMBKDJ-OLZOCXBDSA-N 1 0 320.389 1.297 50 0 DDAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](CNC(N)=O)C1 ZINC000058316960 184104985 /nfs/dbraw/zinc/10/49/85/184104985.db2.gz WAYQJMSAOUSXOT-ZDUSSCGKSA-N 1 0 313.405 1.819 50 0 DDAARO O[C@@H](COCc1ccco1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065446831 184345845 /nfs/dbraw/zinc/34/58/45/184345845.db2.gz GPLCUADNPXXIAX-OAHLLOKOSA-N 1 0 305.378 1.760 50 0 DDAARO O=C1OCCN1CCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000065564850 184366479 /nfs/dbraw/zinc/36/64/79/184366479.db2.gz RVLJSAIJHJCLJQ-HNNXBMFYSA-N 1 0 317.389 1.392 50 0 DDAARO Cn1cc(CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000065499336 184355781 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CC(C)[C@H](Nc1cc(C2CC([NH3+])C2)nc(C2CC2)n1)C(N)=O ZINC000222804184 407560532 /nfs/dbraw/zinc/56/05/32/407560532.db2.gz FYPKAYISYVFQSL-MGULZYLOSA-N 1 0 303.410 1.481 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000006882183 406741264 /nfs/dbraw/zinc/74/12/64/406741264.db2.gz JENFJKSJIMPAEH-OAHLLOKOSA-N 1 0 324.446 1.445 50 0 DDAARO Cc1nnc([C@H](C)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000069608447 406743557 /nfs/dbraw/zinc/74/35/57/406743557.db2.gz PBJWDNYCRLLAOJ-ZNMIVQPWSA-N 1 0 321.469 1.929 50 0 DDAARO Cc1cc(NCC2([N@H+](C)CCO)CCCCC2)n2ncnc2n1 ZINC000069739047 406762585 /nfs/dbraw/zinc/76/25/85/406762585.db2.gz WWJRUWQVMXNZLT-UHFFFAOYSA-N 1 0 318.425 1.472 50 0 DDAARO CC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000069437271 406711416 /nfs/dbraw/zinc/71/14/16/406711416.db2.gz HISKARQYHIUDJD-CJNGLKHVSA-N 1 0 303.406 1.464 50 0 DDAARO COCCOc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000069456482 406717995 /nfs/dbraw/zinc/71/79/95/406717995.db2.gz 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C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000046035086 407053269 /nfs/dbraw/zinc/05/32/69/407053269.db2.gz BNBSMVRCSATVTJ-CYBMUJFWSA-N 1 0 324.446 1.632 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000050241962 407129978 /nfs/dbraw/zinc/12/99/78/407129978.db2.gz WUPXZDWGFPSPAE-QMMMGPOBSA-N 1 0 323.187 1.310 50 0 DDAARO COCC[NH+]1CCC(CNc2ccnc(C(=O)OC)c2)CC1 ZINC000089414509 407133722 /nfs/dbraw/zinc/13/37/22/407133722.db2.gz XKMHSCRGFOVEJY-UHFFFAOYSA-N 1 0 307.394 1.639 50 0 DDAARO Cc1cc(=O)[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000089568376 407139801 /nfs/dbraw/zinc/13/98/01/407139801.db2.gz VEFFDLGOYJBHMZ-KGLIPLIRSA-N 1 0 303.406 1.771 50 0 DDAARO Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(O)CC3)c2cc1C ZINC000051590638 407140687 /nfs/dbraw/zinc/14/06/87/407140687.db2.gz SZHBMAKNBHJBJI-OAHLLOKOSA-N 1 0 303.406 1.471 50 0 DDAARO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(F)cc1Br ZINC000052093346 407147635 /nfs/dbraw/zinc/14/76/35/407147635.db2.gz ZWSISTLNBFSUGP-QMMMGPOBSA-N 1 0 323.187 1.228 50 0 DDAARO NS(=O)(=O)CC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000089775070 407148076 /nfs/dbraw/zinc/14/80/76/407148076.db2.gz ZSPHGFCTTFRIRQ-UHFFFAOYSA-N 1 0 314.426 1.901 50 0 DDAARO CC(C)Oc1cccc(CNC(=O)CN2CC[N@H+](C)C[C@H]2C)c1 ZINC000089939085 407161140 /nfs/dbraw/zinc/16/11/40/407161140.db2.gz RHVADWRHNODUQD-OAHLLOKOSA-N 1 0 319.449 1.726 50 0 DDAARO CNC(=O)NCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000090057248 407165511 /nfs/dbraw/zinc/16/55/11/407165511.db2.gz FOHHSXGJOBECFP-AWEZNQCLSA-N 1 0 318.421 1.038 50 0 DDAARO Cc1ncsc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091270590 407181144 /nfs/dbraw/zinc/18/11/44/407181144.db2.gz YGUXWNWRHISSOC-ZIAGYGMSSA-N 1 0 323.462 1.618 50 0 DDAARO C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054779887 407189081 /nfs/dbraw/zinc/18/90/81/407189081.db2.gz SHXNCUOHTWQYBO-CYBMUJFWSA-N 1 0 313.442 1.748 50 0 DDAARO Cc1cccc(NC2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000096421207 407263371 /nfs/dbraw/zinc/26/33/71/407263371.db2.gz RGQBGWUZJXHYTN-UHFFFAOYSA-N 1 0 317.433 1.730 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnccc1C ZINC000096410750 407261123 /nfs/dbraw/zinc/26/11/23/407261123.db2.gz PXXRRGUPDNRVCF-CYBMUJFWSA-N 1 0 304.394 1.319 50 0 DDAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)/C=C\C2CCCCC2)C1 ZINC000096410100 407261679 /nfs/dbraw/zinc/26/16/79/407261679.db2.gz AOPFKUAJMCWKSW-YDZSZYSISA-N 1 0 321.465 1.827 50 0 DDAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000095360312 407209311 /nfs/dbraw/zinc/20/93/11/407209311.db2.gz VQSYOENUQQKOFB-HNNXBMFYSA-N 1 0 319.453 1.840 50 0 DDAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000095376965 407210785 /nfs/dbraw/zinc/21/07/85/407210785.db2.gz QICRFVJBUGVMLO-CYBMUJFWSA-N 1 0 302.378 1.840 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccncc2)C1 ZINC000095417602 407213633 /nfs/dbraw/zinc/21/36/33/407213633.db2.gz FVWOYFRFUQKHQE-MRXNPFEDSA-N 1 0 320.437 1.280 50 0 DDAARO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000095941185 407215349 /nfs/dbraw/zinc/21/53/49/407215349.db2.gz JBYNFCWDFUORGV-RHSMWYFYSA-N 1 0 304.434 1.956 50 0 DDAARO COC(=O)[C@@H]1CC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095919655 407215363 /nfs/dbraw/zinc/21/53/63/407215363.db2.gz DRUJCAWXFFYOAX-HUUCEWRRSA-N 1 0 302.374 1.282 50 0 DDAARO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095953673 407217289 /nfs/dbraw/zinc/21/72/89/407217289.db2.gz BKODGQCEAAGHSZ-CQSZACIVSA-N 1 0 301.456 1.181 50 0 DDAARO CCc1nncn1CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000095968739 407218509 /nfs/dbraw/zinc/21/85/09/407218509.db2.gz DOAOBFPZIXZRAS-GFCCVEGCSA-N 1 0 312.381 1.167 50 0 DDAARO Cc1cc2n(n1)C[C@H](C[NH2+]CCCCn1ccccc1=O)CN2 ZINC000058306390 407219997 /nfs/dbraw/zinc/21/99/97/407219997.db2.gz QBMCAAULDSISRC-OAHLLOKOSA-N 1 0 315.421 1.465 50 0 DDAARO COc1c(C[NH2+]CCc2ccc3c(c2)OCCO3)c(C)nn1C ZINC000058343010 407221015 /nfs/dbraw/zinc/22/10/15/407221015.db2.gz 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ZINC000101682605 407314194 /nfs/dbraw/zinc/31/41/94/407314194.db2.gz WPQNUXJWHHPWHU-UHFFFAOYSA-N 1 0 321.808 1.912 50 0 DDAARO C[NH+](C)CCNc1c(=O)c(=O)c1NCc1ccccc1Cl ZINC000101698657 407315229 /nfs/dbraw/zinc/31/52/29/407315229.db2.gz BNWQMSRWROHKIK-UHFFFAOYSA-N 1 0 307.781 1.522 50 0 DDAARO COCCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000096422418 407263963 /nfs/dbraw/zinc/26/39/63/407263963.db2.gz RHQCXWICRUKHFX-OAHLLOKOSA-N 1 0 305.422 1.350 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCOC3)cc2)CC1 ZINC000096436386 407265751 /nfs/dbraw/zinc/26/57/51/407265751.db2.gz XLTUWKDFMVBBKX-INIZCTEOSA-N 1 0 317.433 1.737 50 0 DDAARO CSc1ccc(N2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000096453511 407268727 /nfs/dbraw/zinc/26/87/27/407268727.db2.gz WYPFURQDCCDYGX-UHFFFAOYSA-N 1 0 308.451 1.747 50 0 DDAARO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NS(C)(=O)=O ZINC000097034690 407276388 /nfs/dbraw/zinc/27/63/88/407276388.db2.gz VUMOUPRIIWWLRO-UPJWGTAASA-N 1 0 316.467 1.252 50 0 DDAARO Cn1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1=O ZINC000097101195 407280347 /nfs/dbraw/zinc/28/03/47/407280347.db2.gz UOMQFHLAAKOKNO-AWEZNQCLSA-N 1 0 318.421 1.725 50 0 DDAARO CC[C@@H]1CN(C(=O)c2ccc(NCCO)nc2)CC[N@@H+]1C(C)C ZINC000067756027 407283472 /nfs/dbraw/zinc/28/34/72/407283472.db2.gz QCKISBFCVWQIOW-OAHLLOKOSA-N 1 0 320.437 1.431 50 0 DDAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3nnc(C)n3C2)o1 ZINC000097199460 407286922 /nfs/dbraw/zinc/28/69/22/407286922.db2.gz HNQSLMMSKLDTSK-CYBMUJFWSA-N 1 0 312.377 1.983 50 0 DDAARO [NH3+][C@@H]1CC[C@@H](NC(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000067908299 407290484 /nfs/dbraw/zinc/29/04/84/407290484.db2.gz QCRONUPQZNBOSG-CHWSQXEVSA-N 1 0 315.377 1.450 50 0 DDAARO CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097372228 407292211 /nfs/dbraw/zinc/29/22/11/407292211.db2.gz OGVXUYDURMZDAP-IXDOHACOSA-N 1 0 315.417 1.149 50 0 DDAARO Cc1[nH]nc(C2CC2)c1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000097546699 407298912 /nfs/dbraw/zinc/29/89/12/407298912.db2.gz ZLYSNBSHQAQHJB-CQSZACIVSA-N 1 0 320.437 1.778 50 0 DDAARO CCOCCOc1cccc(NC(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000097813894 407302781 /nfs/dbraw/zinc/30/27/81/407302781.db2.gz QRPVMSRNOXTSFG-CYBMUJFWSA-N 1 0 307.394 1.928 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000106838518 407361943 /nfs/dbraw/zinc/36/19/43/407361943.db2.gz CAKPUPUDPHFLSA-ABAIWWIYSA-N 1 0 316.405 1.908 50 0 DDAARO CC[C@@H]1CN(c2nc(C)cc(N(C)C)n2)CC[N@@H+]1C[C@H](C)O ZINC000106906100 407365340 /nfs/dbraw/zinc/36/53/40/407365340.db2.gz YRPCXCIUJZBLCR-UONOGXRCSA-N 1 0 307.442 1.132 50 0 DDAARO CC[C@@H]1CN(c2nn3cc(C)nc3s2)CC[N@@H+]1C[C@H](C)O ZINC000106906096 407365374 /nfs/dbraw/zinc/36/53/74/407365374.db2.gz VDVFLFXFHYICHN-NWDGAFQWSA-N 1 0 309.439 1.381 50 0 DDAARO CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000108373428 407385153 /nfs/dbraw/zinc/38/51/53/407385153.db2.gz ACIDUQILQXCSBI-BYCMXARLSA-N 1 0 312.435 1.942 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)COc1cccc(Br)c1 ZINC000125393501 407387655 /nfs/dbraw/zinc/38/76/55/407387655.db2.gz INBQEPZIYYGZAL-SNVBAGLBSA-N 1 0 313.195 1.648 50 0 DDAARO CC(C)c1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2C)c1Br ZINC000125202897 407381704 /nfs/dbraw/zinc/38/17/04/407381704.db2.gz CGXNUXUPLWNCRC-MRVPVSSYSA-N 1 0 315.215 1.730 50 0 DDAARO COCCN(c1ccncc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000127480966 407438359 /nfs/dbraw/zinc/43/83/59/407438359.db2.gz KBMSAEYRVPDQAO-UHFFFAOYSA-N 1 0 322.386 1.932 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000178541178 407487389 /nfs/dbraw/zinc/48/73/89/407487389.db2.gz KYFAGROBTQEZHC-CYBMUJFWSA-N 1 0 306.381 1.681 50 0 DDAARO CCOc1ccccc1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000215557852 407487608 /nfs/dbraw/zinc/48/76/08/407487608.db2.gz QKNBKIMDVAAVOC-HNNXBMFYSA-N 1 0 306.406 1.513 50 0 DDAARO CC(C)(C)OC(=O)N1CCc2nnc([C@H]3CC[NH2+]C3)n2CC1 ZINC000257189835 407488591 /nfs/dbraw/zinc/48/85/91/407488591.db2.gz KCCXSEUTNGCYIO-NSHDSACASA-N 1 0 307.398 1.148 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2ccncc2F)C[C@H]1C(=O)NC1CC1 ZINC000253412666 407442108 /nfs/dbraw/zinc/44/21/08/407442108.db2.gz RRIPOFPXPBZBCE-GXTWGEPZSA-N 1 0 307.369 1.194 50 0 DDAARO C[N@H+]1C[C@H]2CN(C(=O)c3cccc4c3OCC4(C)C)C[C@H]2C1 ZINC000253420460 407446712 /nfs/dbraw/zinc/44/67/12/407446712.db2.gz JRYFFLHAPOXFLB-BETUJISGSA-N 1 0 300.402 1.990 50 0 DDAARO CO[C@H](C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000225785619 407605067 /nfs/dbraw/zinc/60/50/67/407605067.db2.gz HWGZETKGDDZUEY-LSDHHAIUSA-N 1 0 312.435 1.388 50 0 DDAARO Cc1cn(-c2ccccc2)nc1OCC(=O)NCC[NH+](C)C ZINC000226852375 407624034 /nfs/dbraw/zinc/62/40/34/407624034.db2.gz ZTRFBJOOAARZET-UHFFFAOYSA-N 1 0 302.378 1.237 50 0 DDAARO Cc1nc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000178987382 407683196 /nfs/dbraw/zinc/68/31/96/407683196.db2.gz SRMIIJYLARNPHK-ZDUSSCGKSA-N 1 0 311.451 1.847 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000179148043 407737352 /nfs/dbraw/zinc/73/73/52/407737352.db2.gz VJVROGSVELNBRA-NXEZZACHSA-N 1 0 303.366 1.206 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000179148053 407737713 /nfs/dbraw/zinc/73/77/13/407737713.db2.gz VJVROGSVELNBRA-UWVGGRQHSA-N 1 0 303.366 1.206 50 0 DDAARO CCN(C[C@@H]1CCCO1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000153142663 407762666 /nfs/dbraw/zinc/76/26/66/407762666.db2.gz HMYKWRNJLWLBHK-AWEZNQCLSA-N 1 0 321.425 1.152 50 0 DDAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000237961043 407856787 /nfs/dbraw/zinc/85/67/87/407856787.db2.gz ZLYGXWUKEBKAEV-XJKSGUPXSA-N 1 0 315.417 1.553 50 0 DDAARO O=C(CCn1ccccc1=O)NCC[NH2+]C1CCCCCC1 ZINC000238091058 407889596 /nfs/dbraw/zinc/88/95/96/407889596.db2.gz YSJCBMKYFBSTHT-UHFFFAOYSA-N 1 0 305.422 1.667 50 0 DDAARO CC1(C)CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)c2ccccc21 ZINC000239667694 407904833 /nfs/dbraw/zinc/90/48/33/407904833.db2.gz BRLLIFWPTIRTSO-CQSZACIVSA-N 1 0 301.390 1.941 50 0 DDAARO C[NH+]1CCC(N2CCC[C@H]2C(=O)NCCc2nccs2)CC1 ZINC000244741831 407934553 /nfs/dbraw/zinc/93/45/53/407934553.db2.gz NXSLBWMRPPQNHC-AWEZNQCLSA-N 1 0 322.478 1.360 50 0 DDAARO CN(C)S(=O)(=O)CCC[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000244853021 407941045 /nfs/dbraw/zinc/94/10/45/407941045.db2.gz VDTGHRIOZGXVRW-AWEZNQCLSA-N 1 0 312.435 1.203 50 0 DDAARO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000154752917 408079252 /nfs/dbraw/zinc/07/92/52/408079252.db2.gz MTBDPGKDDUFKSN-UHFFFAOYSA-N 1 0 318.299 1.059 50 0 DDAARO C[C@@H]1CN(C)c2ccccc2CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269274958 408247465 /nfs/dbraw/zinc/24/74/65/408247465.db2.gz VXKBDKFZLYLYMG-GDBMZVCRSA-N 1 0 317.433 1.622 50 0 DDAARO O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269219955 408232186 /nfs/dbraw/zinc/23/21/86/408232186.db2.gz HVHOYTWLDIKZCL-CABCVRRESA-N 1 0 306.381 1.477 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCCO3)C1 ZINC000157890259 408320062 /nfs/dbraw/zinc/32/00/62/408320062.db2.gz KFBGKMOFVIYGMP-AWEZNQCLSA-N 1 0 304.390 1.730 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C[C@@H](C)[NH2+]1 ZINC000246668492 408312009 /nfs/dbraw/zinc/31/20/09/408312009.db2.gz FEYNBMSCNWKAQA-RJZRQDKASA-N 1 0 316.401 1.770 50 0 DDAARO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000158646795 408351658 /nfs/dbraw/zinc/35/16/58/408351658.db2.gz PFPWFGVODYJAJM-VXGBXAGGSA-N 1 0 312.439 1.240 50 0 DDAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000247237365 408437235 /nfs/dbraw/zinc/43/72/35/408437235.db2.gz XNYQJVSDLKXMSE-ILXRZTDVSA-N 1 0 316.467 1.444 50 0 DDAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N[C@H]1CCCCNC1=O ZINC000247758470 408508830 /nfs/dbraw/zinc/50/88/30/408508830.db2.gz FVNLALIPWIHANS-KKUMJFAQSA-N 1 0 307.438 1.283 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)Cn1cccn1 ZINC000247962434 408520532 /nfs/dbraw/zinc/52/05/32/408520532.db2.gz ACICLOMFQLNYRQ-BZUAXINKSA-N 1 0 304.438 1.995 50 0 DDAARO COC(=O)C1CCC([NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000192445590 408589823 /nfs/dbraw/zinc/58/98/23/408589823.db2.gz RTJGCPGROMGLDI-VQXHTEKXSA-N 1 0 322.327 1.471 50 0 DDAARO COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@H](C)[C@H]2CO)C1=O ZINC000248760338 408628926 /nfs/dbraw/zinc/62/89/26/408628926.db2.gz QIYXWNVLWAJRRF-AEGPPILISA-N 1 0 304.390 1.503 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csnn1 ZINC000248757774 408630841 /nfs/dbraw/zinc/63/08/41/408630841.db2.gz GIJHSXIROIXZRS-DGCLKSJQSA-N 1 0 302.403 1.788 50 0 DDAARO Cc1ccc2c(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc(=O)oc2c1C ZINC000248979928 408669579 /nfs/dbraw/zinc/66/95/79/408669579.db2.gz VDMMSTAEJDBDIY-CHWSQXEVSA-N 1 0 319.401 1.973 50 0 DDAARO O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252477748 408795416 /nfs/dbraw/zinc/79/54/16/408795416.db2.gz VATNSDIKJMWYOG-JYJNAYRXSA-N 1 0 322.380 1.229 50 0 DDAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCc1cnn(C)c1 ZINC000252512689 408804323 /nfs/dbraw/zinc/80/43/23/408804323.db2.gz UTAAHNPDLOFRQH-GOEBONIOSA-N 1 0 321.469 1.724 50 0 DDAARO CC(C)(C)c1ccc(OCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000277951597 409040232 /nfs/dbraw/zinc/04/02/32/409040232.db2.gz ROHCUOJFSVCFKJ-DZGCQCFKSA-N 1 0 306.406 1.202 50 0 DDAARO COCCS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000330407378 410673505 /nfs/dbraw/zinc/67/35/05/410673505.db2.gz GJNCQWGISMUWMJ-UKRRQHHQSA-N 1 0 312.435 1.388 50 0 DDAARO COc1ccccc1-c1cc(CNC(=O)[C@H]2CCC[NH2+]2)on1 ZINC000299784637 410627203 /nfs/dbraw/zinc/62/72/03/410627203.db2.gz OONFPUBMGGQHKI-CYBMUJFWSA-N 1 0 301.346 1.718 50 0 DDAARO O=C([C@H]1CCC[NH2+]CC1)N1CCN(Cc2ccccc2)C(=O)C1 ZINC000299793111 410630536 /nfs/dbraw/zinc/63/05/36/410630536.db2.gz JCUHCMSZNVIBIX-INIZCTEOSA-N 1 0 315.417 1.247 50 0 DDAARO COCC[NH+]1CCC(CN(C)C(=O)c2csc(N)n2)CC1 ZINC000299792644 410632171 /nfs/dbraw/zinc/63/21/71/410632171.db2.gz GKFVZPAQFGHYFA-UHFFFAOYSA-N 1 0 312.439 1.156 50 0 DDAARO Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000299791885 410633016 /nfs/dbraw/zinc/63/30/16/410633016.db2.gz COQMOIILLUGNEZ-AWEZNQCLSA-N 1 0 322.478 1.676 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)CCOc2ccc(C)cc2OC)C1 ZINC000132871252 196291682 /nfs/dbraw/zinc/29/16/82/196291682.db2.gz CFLWRIACEZAUIO-CQSZACIVSA-N 1 0 306.406 1.983 50 0 DDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000049971526 418478334 /nfs/dbraw/zinc/47/83/34/418478334.db2.gz GVUYGDSCZDZJHR-ZFWWWQNUSA-N 1 0 307.438 1.365 50 0 DDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000049971527 418478900 /nfs/dbraw/zinc/47/89/00/418478900.db2.gz GVUYGDSCZDZJHR-UKRRQHHQSA-N 1 0 307.438 1.365 50 0 DDAARO O=S(=O)(NCCC[NH+]1CC=CC1)c1cncc(Cl)c1 ZINC000101782147 418494746 /nfs/dbraw/zinc/49/47/46/418494746.db2.gz ICOFHDTXKCATQP-UHFFFAOYSA-N 1 0 301.799 1.275 50 0 DDAARO CCC[NH2+]Cc1cc(=O)n2nc(NCc3ccccc3)[nH]c2n1 ZINC000101795658 418494789 /nfs/dbraw/zinc/49/47/89/418494789.db2.gz MNTVOAAFIGXMBG-UHFFFAOYSA-N 1 0 312.377 1.529 50 0 DDAARO Cc1cccc(-c2nc3[nH]c(C[NH+]4CCCC4)cc(=O)n3n2)c1 ZINC000101748056 418494821 /nfs/dbraw/zinc/49/48/21/418494821.db2.gz CMGRCCHELIEDAF-UHFFFAOYSA-N 1 0 309.373 1.989 50 0 DDAARO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000108371889 418499196 /nfs/dbraw/zinc/49/91/96/418499196.db2.gz CWLDCIIEARPQCI-USXIJHARSA-N 1 0 318.417 1.396 50 0 DDAARO COC(=O)N1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000108101979 418499559 /nfs/dbraw/zinc/49/95/59/418499559.db2.gz XJWXFQZDYYRPTQ-XIRDDKMYSA-N 1 0 317.433 1.937 50 0 DDAARO O=S(=O)(N1CCc2ccccc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000257365466 222250311 /nfs/dbraw/zinc/25/03/11/222250311.db2.gz ZOVACWNHRYDKEP-INIZCTEOSA-N 1 0 321.446 1.070 50 0 DDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000262691785 222290214 /nfs/dbraw/zinc/29/02/14/222290214.db2.gz AYBGDQSUHXAHPF-MELADBBJSA-N 1 0 307.442 1.938 50 0 DDAARO CN(CC[N@H+](C)C1CC1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC000408517490 418807386 /nfs/dbraw/zinc/80/73/86/418807386.db2.gz JKJVQLMVSBJTRW-UHFFFAOYSA-N 1 0 313.405 1.648 50 0 DDAARO C[C@](O)(CN1CCN(c2cc(F)ncn2)CC1)C(F)(F)F ZINC000408524556 418808627 /nfs/dbraw/zinc/80/86/27/418808627.db2.gz VOPXOFQAOCZQQA-NSHDSACASA-N 1 0 308.279 1.051 50 0 DDAARO Cc1cc(CNC(=O)N2CCC([NH+]3CCSCC3)CC2)on1 ZINC000426488222 419487196 /nfs/dbraw/zinc/48/71/96/419487196.db2.gz KQGNHKCILZGXCA-UHFFFAOYSA-N 1 0 324.450 1.706 50 0 DDAARO C[NH+]1CCC(C)(C(=O)N2CCC(c3ccnc(N)n3)CC2)CC1 ZINC000426361950 419446509 /nfs/dbraw/zinc/44/65/09/419446509.db2.gz NPWRJGMFCOWIFJ-UHFFFAOYSA-N 1 0 317.437 1.497 50 0 DDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cc(C(F)F)n[nH]1 ZINC000426440253 419472885 /nfs/dbraw/zinc/47/28/85/419472885.db2.gz HVIPEPKFIKSHIA-RYUDHWBXSA-N 1 0 314.336 1.330 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc2c(c1)CCCO2 ZINC000426677382 419526653 /nfs/dbraw/zinc/52/66/53/419526653.db2.gz FEILYIVEIWJKJE-HOCLYGCPSA-N 1 0 304.390 1.461 50 0 DDAARO Cc1nc(CSc2nnc(C[NH3+])n2Cc2ccccc2)no1 ZINC000426699882 419535840 /nfs/dbraw/zinc/53/58/40/419535840.db2.gz HFRIOSAMTVUBEP-UHFFFAOYSA-N 1 0 316.390 1.769 50 0 DDAARO C[N@@H+]1CCCC[C@@H]1CC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000426521556 419499760 /nfs/dbraw/zinc/49/97/60/419499760.db2.gz XQAKETNSRLIEDN-MRVPVSSYSA-N 1 0 305.304 1.314 50 0 DDAARO Cc1cnc(CNC(=O)c2cc(F)ccc2OCCC[NH3+])cn1 ZINC000426523350 419500284 /nfs/dbraw/zinc/50/02/84/419500284.db2.gz CZAAVYYABGCPAW-UHFFFAOYSA-N 1 0 318.352 1.582 50 0 DDAARO CN(C)c1ncc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000449669940 421054411 /nfs/dbraw/zinc/05/44/11/421054411.db2.gz INAJBLFDKAQFNI-PSASIEDQSA-N 1 0 309.357 1.954 50 0 DDAARO Cc1ccccc1N1CCC([NH2+]CCc2nc(N)n[nH]2)CC1 ZINC000534669867 421694209 /nfs/dbraw/zinc/69/42/09/421694209.db2.gz VWMDFWHKFCZAII-UHFFFAOYSA-N 1 0 300.410 1.496 50 0 DDAARO Cn1nccc1C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583616613 422198404 /nfs/dbraw/zinc/19/84/04/422198404.db2.gz RYHUAQZSANENCR-IRXDYDNUSA-N 1 0 300.406 1.582 50 0 DDAARO CC[NH+]1CCC(N[C@@H]2CCCc3nc(N(C)C)ncc32)CC1 ZINC000011874715 276151523 /nfs/dbraw/zinc/15/15/23/276151523.db2.gz MLWBVINTFWYICY-OAHLLOKOSA-N 1 0 303.454 1.994 50 0 DDAARO CCNc1ccnc(N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)n1 ZINC000219804015 276271434 /nfs/dbraw/zinc/27/14/34/276271434.db2.gz PPQXXFAAWNGOSZ-CHWSQXEVSA-N 1 0 309.414 1.056 50 0 DDAARO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CNC(=O)NC)CC1 ZINC000096485554 276538411 /nfs/dbraw/zinc/53/84/11/276538411.db2.gz PTHOJGJVMZANLZ-HNNXBMFYSA-N 1 0 318.421 1.211 50 0 DDAARO CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069893964 278307474 /nfs/dbraw/zinc/30/74/74/278307474.db2.gz QFYUBISULHGZJD-CQSZACIVSA-N 1 0 309.454 1.626 50 0 DDAARO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@@H]1C[NH3+] ZINC000237425663 278476857 /nfs/dbraw/zinc/47/68/57/278476857.db2.gz LEDUSHRFEDYLJS-MEBBXXQBSA-N 1 0 317.364 1.867 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H]2CCCC[C@H]21 ZINC000230218753 279314194 /nfs/dbraw/zinc/31/41/94/279314194.db2.gz CWQPSYZFRKQXLN-RBSFLKMASA-N 1 0 311.495 1.989 50 0 DDAARO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1ccccc1Cl ZINC000237756929 280206759 /nfs/dbraw/zinc/20/67/59/280206759.db2.gz VORGGJGBELHRCF-NSHDSACASA-N 1 0 319.796 1.792 50 0 DDAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCCC3(CCOCC3)C2)n1 ZINC000244724662 295369410 /nfs/dbraw/zinc/36/94/10/295369410.db2.gz MYFWRDKGOISJMB-BETUJISGSA-N 1 0 317.437 1.661 50 0 DDAARO C[C@H]1COCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000096406893 337381795 /nfs/dbraw/zinc/38/17/95/337381795.db2.gz MXALHMVJRNTMAO-LBPRGKRZSA-N 1 0 309.385 1.818 50 0 DDAARO Cc1cccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000084210704 483991185 /nfs/dbraw/zinc/99/11/85/483991185.db2.gz SYZXJUYGRIEEPH-IAGOWNOFSA-N 1 0 302.418 1.595 50 0 DDAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cccc(C(N)=O)c2)cn1 ZINC000084317529 483993649 /nfs/dbraw/zinc/99/36/49/483993649.db2.gz MFKDILBIFGDFDT-ZBFHGGJFSA-N 1 0 314.389 1.386 50 0 DDAARO CC[C@H](O)C[N@@H+]1CC[C@H](N(Cc2noc(C3CC3)n2)C(C)=O)C1 ZINC000084733415 483998659 /nfs/dbraw/zinc/99/86/59/483998659.db2.gz OPQIYIDQORDSBZ-KBPBESRZSA-N 1 0 322.409 1.141 50 0 DDAARO C[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 ZINC000090973051 484012733 /nfs/dbraw/zinc/01/27/33/484012733.db2.gz QQVSPBWGVITJEP-UONOGXRCSA-N 1 0 300.410 1.777 50 0 DDAARO Cc1nonc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670444050 484833053 /nfs/dbraw/zinc/83/30/53/484833053.db2.gz NIRUKZIKIVMTTE-GFCCVEGCSA-N 1 0 320.418 1.763 50 0 DDAARO CN(C[C@H]1CC[N@H+](C)C1)c1cncc(C(=O)N2CCCC2)n1 ZINC000670454670 484841876 /nfs/dbraw/zinc/84/18/76/484841876.db2.gz XHEOPXKSNDCAFK-ZDUSSCGKSA-N 1 0 303.410 1.101 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(C)cs2)C1 ZINC000670457618 484842912 /nfs/dbraw/zinc/84/29/12/484842912.db2.gz IJMLIYANISBQJY-GFCCVEGCSA-N 1 0 318.464 1.303 50 0 DDAARO Cc1ncccc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000685570833 486567137 /nfs/dbraw/zinc/56/71/37/486567137.db2.gz KKQBBUZNXMVKMX-LLVKDONJSA-N 1 0 305.403 1.888 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000219426046 490697922 /nfs/dbraw/zinc/69/79/22/490697922.db2.gz HLFIZCBMKWMZDC-KBPBESRZSA-N 1 0 314.788 1.857 50 0 DDAARO OCC[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(F)cc1 ZINC000020167687 696069879 /nfs/dbraw/zinc/06/98/79/696069879.db2.gz QKUFMVUSZIMQHH-SFHVURJKSA-N 1 0 322.424 1.873 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000072152917 696393156 /nfs/dbraw/zinc/39/31/56/696393156.db2.gz MSSVBVGNNGAGGS-NSHDSACASA-N 1 0 303.337 1.621 50 0 DDAARO O=C(CCc1ccsc1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072156387 696393187 /nfs/dbraw/zinc/39/31/87/696393187.db2.gz QLQZPDYAJPIXRM-GDBMZVCRSA-N 1 0 308.447 1.644 50 0 DDAARO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCOC2)c(C)c1 ZINC000072162421 696393240 /nfs/dbraw/zinc/39/32/40/696393240.db2.gz SQWNEJXPOVFBOT-AWEZNQCLSA-N 1 0 312.435 1.126 50 0 DDAARO Cc1nn(C)c2nc(C)nc(N(C)C[C@@]3(C)CC[N@H+](C)C3)c12 ZINC000072453901 696394033 /nfs/dbraw/zinc/39/40/33/696394033.db2.gz KYSHHDTXUPPSKD-INIZCTEOSA-N 1 0 302.426 1.758 50 0 DDAARO C[NH+](C)[C@H]1CN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1C1CC1 ZINC000092061483 696592291 /nfs/dbraw/zinc/59/22/91/696592291.db2.gz QLOZEJHAQDJBSR-KGLIPLIRSA-N 1 0 317.437 1.417 50 0 DDAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000169790943 697346645 /nfs/dbraw/zinc/34/66/45/697346645.db2.gz WFZNMCXGHYPLMR-HUUCEWRRSA-N 1 0 324.469 1.274 50 0 DDAARO Cc1n[nH]c(C)c1-c1cccc(C(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000299765999 698599412 /nfs/dbraw/zinc/59/94/12/698599412.db2.gz AJIUPCAGDWKICI-QGZVFWFLSA-N 1 0 314.389 1.148 50 0 DDAARO Cn1nc(Br)nc1CNC[C@@H](O)CC(C)(C)C ZINC000864094249 706066019 /nfs/dbraw/zinc/06/60/19/706066019.db2.gz MRTBIZBAFCDNIT-QMMMGPOBSA-N 1 0 305.220 1.464 50 0 DDAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)CC1 ZINC000952968341 721529071 /nfs/dbraw/zinc/52/90/71/721529071.db2.gz LEUXEFYAGXKJLE-KRWDZBQOSA-N 1 0 316.449 1.110 50 0 DDAARO COC(=O)c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCSC1)C(=O)N2 ZINC000952995304 721534530 /nfs/dbraw/zinc/53/45/30/721534530.db2.gz HUIOSBBOXMXEOC-OCCSQVGLSA-N 1 0 320.414 1.822 50 0 DDAARO Cc1ccc(S(=O)(=O)N(CC[NH3+])C2CCOCC2)cc1F ZINC000675020363 737521285 /nfs/dbraw/zinc/52/12/85/737521285.db2.gz XILRXBBEQLXZQY-UHFFFAOYSA-N 1 0 316.398 1.263 50 0 DDAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000822993578 758260147 /nfs/dbraw/zinc/26/01/47/758260147.db2.gz WIKGNAKCWFDFTR-GFCCVEGCSA-N 1 0 309.435 1.975 50 0 DDAARO CC(C)c1csc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000828710917 759747006 /nfs/dbraw/zinc/74/70/06/759747006.db2.gz PTAJMMCYWDGLLB-GFCCVEGCSA-N 1 0 311.451 1.843 50 0 DDAARO O=C(Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581787848 761700585 /nfs/dbraw/zinc/70/05/85/761700585.db2.gz FDLRSBRPBJNVES-MRXNPFEDSA-N 1 0 317.433 1.585 50 0 DDAARO CC[N@H+](C1CN(C(=O)c2ccc(C)nc2)C1)C1CCN(C)CC1 ZINC000581798894 761706114 /nfs/dbraw/zinc/70/61/14/761706114.db2.gz CERGGWATCZVGJO-UHFFFAOYSA-N 1 0 316.449 1.631 50 0 DDAARO Cc1ncc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000585085485 771934427 /nfs/dbraw/zinc/93/44/27/771934427.db2.gz ZETIEHHADBHEAC-IRXDYDNUSA-N 1 0 300.406 1.287 50 0 DDAARO Cc1c[nH]cc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000585088377 771937908 /nfs/dbraw/zinc/93/79/08/771937908.db2.gz YYAMCWZLFHFGKX-UHFFFAOYSA-N 1 0 307.438 1.878 50 0 DDAARO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)c1ccc(=O)[nH]n1 ZINC000952845541 775569087 /nfs/dbraw/zinc/56/90/87/775569087.db2.gz RGUYQULPCCCDDU-LBPRGKRZSA-N 1 0 312.373 1.531 50 0 DDAARO Cn1nc2c(c1C[NH+]1CCC([C@H](F)C(N)=O)CC1)CCCC2 ZINC000952847919 775570593 /nfs/dbraw/zinc/57/05/93/775570593.db2.gz SPNLZKXGHBADRY-HNNXBMFYSA-N 1 0 308.401 1.334 50 0 DDAARO CCOCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095519369 185377105 /nfs/dbraw/zinc/37/71/05/185377105.db2.gz XBXFXJBZSNJXDI-INIZCTEOSA-N 1 0 306.406 1.118 50 0 DDAARO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000078822508 185115296 /nfs/dbraw/zinc/11/52/96/185115296.db2.gz OYIXXHCZBVSCPD-CABCVRRESA-N 1 0 311.470 1.872 50 0 DDAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000426512036 295677097 /nfs/dbraw/zinc/67/70/97/295677097.db2.gz FSOWDSNZHSKSHG-ZDUSSCGKSA-N 1 0 316.405 1.530 50 0 DDAARO CC(C)[C@H](C(=O)NC[C@@]1(O)CCSC1)[NH+]1CCCCC1 ZINC000082967239 185209765 /nfs/dbraw/zinc/20/97/65/185209765.db2.gz SUXNMHXYVGDVQT-HIFRSBDPSA-N 1 0 300.468 1.481 50 0 DDAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc[nH+]1 ZINC000082097975 192354714 /nfs/dbraw/zinc/35/47/14/192354714.db2.gz HRCKGDLMDQXQNI-QGZVFWFLSA-N 1 0 303.406 1.591 50 0 DDAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H]1CCc2ccccc2C1 ZINC000082097069 192355566 /nfs/dbraw/zinc/35/55/66/192355566.db2.gz LLEUNEMWNCUCCD-HNNXBMFYSA-N 1 0 310.401 1.408 50 0 DDAARO CC(C)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)n(C)n1 ZINC000082107098 192357185 /nfs/dbraw/zinc/35/71/85/192357185.db2.gz KLMXTTUWODJUPD-AWEZNQCLSA-N 1 0 322.453 1.368 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@H]1O ZINC000082119965 192358495 /nfs/dbraw/zinc/35/84/95/192358495.db2.gz JZGRGPYBASEQMG-UKRRQHHQSA-N 1 0 323.824 1.474 50 0 DDAARO COC(=O)CCC[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000095397898 185353298 /nfs/dbraw/zinc/35/32/98/185353298.db2.gz YVIUHUZEBMRANR-UHFFFAOYSA-N 1 0 304.390 1.459 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)C(C)(C)c2cccnc2)CC1 ZINC000095456782 185369946 /nfs/dbraw/zinc/36/99/46/185369946.db2.gz BBUATFBRAUDXLJ-UHFFFAOYSA-N 1 0 304.438 1.113 50 0 DDAARO CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000095465223 185371718 /nfs/dbraw/zinc/37/17/18/185371718.db2.gz MQJFWTTUAJNRCP-GFCCVEGCSA-N 1 0 300.362 1.241 50 0 DDAARO Cc1sc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)nc1-c1ccc(F)cc1 ZINC000269201872 282479850 /nfs/dbraw/zinc/47/98/50/282479850.db2.gz ZUOVLMVSKYLEGH-NWDGAFQWSA-N 1 0 321.377 1.919 50 0 DDAARO CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000071589459 190992108 /nfs/dbraw/zinc/99/21/08/190992108.db2.gz FSMGQLXBASOZQJ-CYBMUJFWSA-N 1 0 303.406 1.775 50 0 DDAARO Cc1ccc(SCCCN(C)C(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000072157257 191060872 /nfs/dbraw/zinc/06/08/72/191060872.db2.gz DHTDTLUKNRLVKL-HNNXBMFYSA-N 1 0 308.447 1.924 50 0 DDAARO Cc1nccn1Cc1ccccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000072161883 191062718 /nfs/dbraw/zinc/06/27/18/191062718.db2.gz SKOMVMFOPYKJNK-OAHLLOKOSA-N 1 0 314.389 1.557 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000072285270 191105243 /nfs/dbraw/zinc/10/52/43/191105243.db2.gz HRYOLZJANLHZDI-VXGBXAGGSA-N 1 0 320.418 1.420 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c2cnn(C)c2n1 ZINC000237442972 186289742 /nfs/dbraw/zinc/28/97/42/186289742.db2.gz WRHCWXVYKWPRBN-RYUDHWBXSA-N 1 0 301.394 1.476 50 0 DDAARO CC(=O)N1CC[N@@H+](CCN2CCO[C@H](C)C2)CC12CCCCC2 ZINC000253397463 186305950 /nfs/dbraw/zinc/30/59/50/186305950.db2.gz WBUQIAOBBIFGCB-MRXNPFEDSA-N 1 0 323.481 1.574 50 0 DDAARO O=C(C1CC[NH2+]CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004725549 352112754 /nfs/dbraw/zinc/11/27/54/352112754.db2.gz 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Cc1ccc2c(C[NH+]3CCC(C(N)=O)CC3)cc(=O)oc2c1 ZINC000003422358 181017382 /nfs/dbraw/zinc/01/73/82/181017382.db2.gz XGTVBOZMIPXWAW-UHFFFAOYSA-N 1 0 300.358 1.799 50 0 DDAARO CN1C(=O)C[C@H](CNC(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000097236906 353919102 /nfs/dbraw/zinc/91/91/02/353919102.db2.gz OTZHMESVPVQXBA-GDBMZVCRSA-N 1 0 318.421 1.067 50 0 DDAARO CC[C@H](C)n1nccc1NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000106908948 353942683 /nfs/dbraw/zinc/94/26/83/353942683.db2.gz QARSHDHZHWJSAH-IHRRRGAJSA-N 1 0 323.441 1.101 50 0 DDAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000106918676 353943426 /nfs/dbraw/zinc/94/34/26/353943426.db2.gz VQEXYIZVWOCXQF-AXAPSJFSSA-N 1 0 302.378 1.453 50 0 DDAARO COP(=O)(OC)C(O)(CCC[NH3+])P(=O)(OC)OC ZINC000113187126 353976132 /nfs/dbraw/zinc/97/61/32/353976132.db2.gz QQBCKUMJBSAACX-UHFFFAOYSA-N 1 0 305.204 1.343 50 0 DDAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC000156509456 354219211 /nfs/dbraw/zinc/21/92/11/354219211.db2.gz 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/nfs/dbraw/zinc/79/40/48/354794048.db2.gz QRSXMMSOZHHHAU-LBPRGKRZSA-N 1 0 305.353 1.504 50 0 DDAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)CCCn2cccn2)C1 ZINC000584895852 354797307 /nfs/dbraw/zinc/79/73/07/354797307.db2.gz GTIBMFPCAAMJNB-HNNXBMFYSA-N 1 0 308.426 1.231 50 0 DDAARO COc1ccc(-n2ccc(C(=O)N3CC[C@H](C[NH3+])C3)n2)cc1 ZINC000178573661 198890500 /nfs/dbraw/zinc/89/05/00/198890500.db2.gz SPHUHGQAYOFTAF-GFCCVEGCSA-N 1 0 300.362 1.302 50 0 DDAARO Cc1noc(COc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000237691447 202328595 /nfs/dbraw/zinc/32/85/95/202328595.db2.gz YRKAACPXJVNFMP-NSHDSACASA-N 1 0 302.334 1.505 50 0 DDAARO C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000188461746 200251146 /nfs/dbraw/zinc/25/11/46/200251146.db2.gz ITFZEBHCZVSIBT-SECBINFHSA-N 1 0 315.186 1.951 50 0 DDAARO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(-n2cncn2)cc1 ZINC000091135409 193001620 /nfs/dbraw/zinc/00/16/20/193001620.db2.gz RZGPXKJSJNTRHY-LBPRGKRZSA-N 1 0 303.391 1.301 50 0 DDAARO CNc1cc(C[C@H]2COc3cc(OC)ccc3C2)[nH+]c(N)n1 ZINC000091441137 193056017 /nfs/dbraw/zinc/05/60/17/193056017.db2.gz BWVZHSVWXGZJSE-JTQLQIEISA-N 1 0 300.362 1.903 50 0 DDAARO CC[N@H+](C)C[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@H]1CO ZINC000091551446 193072032 /nfs/dbraw/zinc/07/20/32/193072032.db2.gz QDFIOGIPZSVFCU-HZPDHXFCSA-N 1 0 322.424 1.777 50 0 DDAARO [NH3+][C@H]1CN(CC(=O)N2CCOc3ccccc32)C[C@@H]1C1CC1 ZINC000091908439 193124729 /nfs/dbraw/zinc/12/47/29/193124729.db2.gz PZLCPBCDBLTNMR-KGLIPLIRSA-N 1 0 301.390 1.081 50 0 DDAARO [NH3+][C@H]1CN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C[C@@H]1C1CC1 ZINC000091974403 193134921 /nfs/dbraw/zinc/13/49/21/193134921.db2.gz YTQAOUUERQVIPT-OLZOCXBDSA-N 1 0 316.380 1.830 50 0 DDAARO CCC[C@H]1C[N@H+](CCO)C[C@@H]1NC(=O)Cc1csc(C)n1 ZINC000092003863 193139338 /nfs/dbraw/zinc/13/93/38/193139338.db2.gz NTJXGYPBRGWBQS-JSGCOSHPSA-N 1 0 311.451 1.203 50 0 DDAARO CCc1cnc(C)nc1N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092002290 193139793 /nfs/dbraw/zinc/13/97/93/193139793.db2.gz VANHGLJIYGNCNT-IAGOWNOFSA-N 1 0 318.465 1.878 50 0 DDAARO [NH3+]CC1(C(=O)NCc2ccccc2OC(F)F)CCOCC1 ZINC000262290706 203251666 /nfs/dbraw/zinc/25/16/66/203251666.db2.gz NDKBEOCLPVWIAL-UHFFFAOYSA-N 1 0 314.332 1.660 50 0 DDAARO CCN(CC)c1ncccc1CNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000019146663 182105810 /nfs/dbraw/zinc/10/58/10/182105810.db2.gz CKPZNKMGYARCNW-OAHLLOKOSA-N 1 0 304.438 1.886 50 0 DDAARO Cc1ncc2c(c1-c1noc(CCc3cn[nH]c3)n1)CC[NH2+]C2 ZINC000019223717 182108086 /nfs/dbraw/zinc/10/80/86/182108086.db2.gz VGTRMPOHDHPGAW-UHFFFAOYSA-N 1 0 310.361 1.594 50 0 DDAARO CC[C@H](C)c1n[nH]c2c1CN(C(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000019866944 182158009 /nfs/dbraw/zinc/15/80/09/182158009.db2.gz CJSUWAPUIZGNGK-NWDGAFQWSA-N 1 0 306.410 1.186 50 0 DDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000020473822 182221472 /nfs/dbraw/zinc/22/14/72/182221472.db2.gz RRPRDUGCQMLPNH-SNVBAGLBSA-N 1 0 322.352 1.983 50 0 DDAARO C[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1Cl ZINC000021324081 182271924 /nfs/dbraw/zinc/27/19/24/182271924.db2.gz CNWHQRINSGXFFD-NSHDSACASA-N 1 0 323.824 1.715 50 0 DDAARO CCC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000022030966 182305094 /nfs/dbraw/zinc/30/50/94/182305094.db2.gz JPTUSNGPADFLSF-HNNXBMFYSA-N 1 0 306.406 1.266 50 0 DDAARO CSc1cccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000022852877 182337349 /nfs/dbraw/zinc/33/73/49/182337349.db2.gz WCKPSNAPHSOFJZ-HOTGVXAUSA-N 1 0 308.447 1.286 50 0 DDAARO COc1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)ccc1O ZINC000023360620 182358695 /nfs/dbraw/zinc/35/86/95/182358695.db2.gz BSEAQICLOYFUMY-INIZCTEOSA-N 1 0 322.449 1.925 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2 ZINC000100696158 193802818 /nfs/dbraw/zinc/80/28/18/193802818.db2.gz AGZOBTJAHQAURD-UHFFFAOYSA-N 1 0 317.393 1.395 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCOC23CC[NH2+]CC3)ccc1F ZINC000034936209 182745418 /nfs/dbraw/zinc/74/54/18/182745418.db2.gz LOUHWDSGBVEGTO-UHFFFAOYSA-N 1 0 314.382 1.235 50 0 DDAARO Cc1nn(-c2ccccc2)nc1C(=O)NCC[NH+]1CCCCC1 ZINC000040107520 183036186 /nfs/dbraw/zinc/03/61/86/183036186.db2.gz JCBWPWKNGQPLIU-UHFFFAOYSA-N 1 0 313.405 1.791 50 0 DDAARO C[NH+](C)CCCn1c2sc3c(c2c(N)nc1=O)CCCC3 ZINC000040268584 183049978 /nfs/dbraw/zinc/04/99/78/183049978.db2.gz PAESDGSVNCXMNJ-UHFFFAOYSA-N 1 0 306.435 1.871 50 0 DDAARO Cc1nc(C(=O)NCC[NH+]2CCCC2)nn1-c1ccc(F)cc1 ZINC000040475448 183074366 /nfs/dbraw/zinc/07/43/66/183074366.db2.gz VCDFXZYGPQGULK-UHFFFAOYSA-N 1 0 317.368 1.540 50 0 DDAARO CCCn1nc(C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)ccc1=O ZINC000040522806 183091324 /nfs/dbraw/zinc/09/13/24/183091324.db2.gz WZVVYNFQFBDIGW-OAHLLOKOSA-N 1 0 320.437 1.504 50 0 DDAARO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000042741621 183303615 /nfs/dbraw/zinc/30/36/15/183303615.db2.gz CSGGHLOGUYZFOC-UHFFFAOYSA-N 1 0 315.417 1.021 50 0 DDAARO CCn1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000043645405 183376840 /nfs/dbraw/zinc/37/68/40/183376840.db2.gz FQVYLLCDJRCWKN-UHFFFAOYSA-N 1 0 308.430 1.051 50 0 DDAARO CN(Cc1ccccc1Br)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043709640 183382584 /nfs/dbraw/zinc/38/25/84/183382584.db2.gz PYZSXSCFANZGMP-GFCCVEGCSA-N 1 0 313.195 1.396 50 0 DDAARO CC(C)[NH+](CCNC(=O)c1cnc2ccccn2c1=O)C(C)C ZINC000043768923 183385066 /nfs/dbraw/zinc/38/50/66/183385066.db2.gz AXQJTVHHCABJFF-UHFFFAOYSA-N 1 0 316.405 1.543 50 0 DDAARO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccncc2)CC1 ZINC000046763314 183568157 /nfs/dbraw/zinc/56/81/57/183568157.db2.gz CNXMEWSDVFFLHG-UHFFFAOYSA-N 1 0 319.409 1.181 50 0 DDAARO COc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]n2)[NH+](C)C)c1 ZINC000057288622 184032334 /nfs/dbraw/zinc/03/23/34/184032334.db2.gz YRPYALQEIQWHBK-CQSZACIVSA-N 1 0 316.361 1.224 50 0 DDAARO C[NH+](C)C1(CNC(=O)c2ccc(C(N)=O)cn2)CCCCCC1 ZINC000058413874 184114689 /nfs/dbraw/zinc/11/46/89/184114689.db2.gz SUXKLIKBGXHDHA-UHFFFAOYSA-N 1 0 318.421 1.565 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 ZINC000058425966 184116401 /nfs/dbraw/zinc/11/64/01/184116401.db2.gz ORPFCRIYRCKJKO-UHFFFAOYSA-N 1 0 312.417 1.602 50 0 DDAARO CCN(CC)C(=O)N1CCC(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000063116898 184271854 /nfs/dbraw/zinc/27/18/54/184271854.db2.gz RVDIMOYCHHFXQG-UHFFFAOYSA-N 1 0 324.469 1.371 50 0 DDAARO CN(Cc1nccs1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065371396 184329866 /nfs/dbraw/zinc/32/98/66/184329866.db2.gz MHBAYVMTTIXVJP-LLVKDONJSA-N 1 0 320.422 1.006 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000065512386 184357432 /nfs/dbraw/zinc/35/74/32/184357432.db2.gz DEFHFOWBJKPKQL-HNNXBMFYSA-N 1 0 306.385 1.757 50 0 DDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000065517337 184358533 /nfs/dbraw/zinc/35/85/33/184358533.db2.gz QMHINHICKOOBGR-INIZCTEOSA-N 1 0 320.437 1.502 50 0 DDAARO COCCN1C[C@]2(CCCN(c3cc[nH+]cc3)C2)CCC1=O ZINC000085533901 285063575 /nfs/dbraw/zinc/06/35/75/285063575.db2.gz AMDNNYFJQQETLM-QGZVFWFLSA-N 1 0 303.406 1.937 50 0 DDAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000158012942 197234675 /nfs/dbraw/zinc/23/46/75/197234675.db2.gz XMJKTSJIKUZKEY-HZMBPMFUSA-N 1 0 320.368 1.213 50 0 DDAARO C[C@@H]1CCCN(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000241926498 296390985 /nfs/dbraw/zinc/39/09/85/296390985.db2.gz UGPUUGDXDUADPW-ILXRZTDVSA-N 1 0 302.484 1.664 50 0 DDAARO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCS(N)(=O)=O)[C@H]2C ZINC000359568367 257236261 /nfs/dbraw/zinc/23/62/61/257236261.db2.gz XTKOJKLRCCAKST-RYUDHWBXSA-N 1 0 312.435 1.681 50 0 DDAARO Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(=O)[nH]1 ZINC000075118850 292072613 /nfs/dbraw/zinc/07/26/13/292072613.db2.gz FLCQRKFOBPVGDB-HNNXBMFYSA-N 1 0 313.401 1.586 50 0 DDAARO Cc1c(NC(=O)[C@H](C)[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000000000031 406615024 /nfs/dbraw/zinc/61/50/24/406615024.db2.gz UQNCVOXEVRELFR-LBPRGKRZSA-N 1 0 302.378 1.373 50 0 in-man DDAARO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2C2(CC[NH+](C)CC2)N1 ZINC000000015576 406616291 /nfs/dbraw/zinc/61/62/91/406616291.db2.gz WYXCEXDNCDDXFW-OAHLLOKOSA-N 1 0 313.401 1.776 50 0 DDAARO C[NH2+][C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000002124420 406680301 /nfs/dbraw/zinc/68/03/01/406680301.db2.gz IIPOBWRHQBMIQU-HUUCEWRRSA-N 1 0 306.406 1.521 50 0 biogenic DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000069626974 406746097 /nfs/dbraw/zinc/74/60/97/406746097.db2.gz NJDCIQIDNIFRIS-GFCCVEGCSA-N 1 0 312.376 1.590 50 0 DDAARO O=S(=O)(Cc1ccccc1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069454246 406714630 /nfs/dbraw/zinc/71/46/30/406714630.db2.gz ZTRZPYBGAOGPBT-CQSZACIVSA-N 1 0 312.410 1.826 50 0 DDAARO CC(C)(O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000069775174 406770421 /nfs/dbraw/zinc/77/04/21/406770421.db2.gz IGQSYXTUQXWVRF-UHFFFAOYSA-N 1 0 315.421 1.101 50 0 DDAARO COC(=O)CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000069527466 406730048 /nfs/dbraw/zinc/73/00/48/406730048.db2.gz COYKHGGCZYGGGW-UHFFFAOYSA-N 1 0 322.430 1.528 50 0 DDAARO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000069873015 406783692 /nfs/dbraw/zinc/78/36/92/406783692.db2.gz OORUYQJPTSYXEV-XJKSGUPXSA-N 1 0 304.369 1.863 50 0 DDAARO CC[NH+](CC)Cc1ccccc1CNc1ccc2nnnn2n1 ZINC000009113884 406802451 /nfs/dbraw/zinc/80/24/51/406802451.db2.gz CQNRCXYKACVEEZ-UHFFFAOYSA-N 1 0 311.393 1.973 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000070040838 406806929 /nfs/dbraw/zinc/80/69/29/406806929.db2.gz UNGZLVATBBVKTB-UONOGXRCSA-N 1 0 304.394 1.982 50 0 DDAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069979354 406799683 /nfs/dbraw/zinc/79/96/83/406799683.db2.gz PEHUFYHAGICJPP-LLVKDONJSA-N 1 0 300.834 1.617 50 0 DDAARO Cc1nc(CNCc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000071834566 406849869 /nfs/dbraw/zinc/84/98/69/406849869.db2.gz CXUVJMIYYVCGED-UHFFFAOYSA-N 1 0 317.462 1.888 50 0 DDAARO O=C(CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCC1 ZINC000071882547 406860793 /nfs/dbraw/zinc/86/07/93/406860793.db2.gz NVCVJGCOBYJEOB-AWEZNQCLSA-N 1 0 322.453 1.315 50 0 DDAARO C[NH+]1CCC2(CC1)OCCN2C(=O)COc1ccccc1Cl ZINC000013690695 406866055 /nfs/dbraw/zinc/86/60/55/406866055.db2.gz YGKXUPZKFQMADN-UHFFFAOYSA-N 1 0 324.808 2.000 50 0 DDAARO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000071910679 406866684 /nfs/dbraw/zinc/86/66/84/406866684.db2.gz LRXROZJGPCBKNE-GFCCVEGCSA-N 1 0 300.449 1.532 50 0 DDAARO C[N@H+](CCC(=O)N1CCOCC1)[C@@H]1CCc2ccccc2C1 ZINC000071907871 406866797 /nfs/dbraw/zinc/86/67/97/406866797.db2.gz AWBFKHAKDIIPKT-QGZVFWFLSA-N 1 0 302.418 1.725 50 0 DDAARO Cc1nnc2n1C[C@H](C[NH2+]C[C@@](C)(O)c1ccccc1)CC2 ZINC000072252958 406875257 /nfs/dbraw/zinc/87/52/57/406875257.db2.gz BIHPORKRAHVQSW-WMLDXEAASA-N 1 0 300.406 1.646 50 0 DDAARO Cc1ccc(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269210 406875704 /nfs/dbraw/zinc/87/57/04/406875704.db2.gz SZZQVIIYMBVWPI-SJORKVTESA-N 1 0 302.418 1.975 50 0 DDAARO Cc1ncc2c(c1CNC(=O)[C@]1(C)CCCCO1)CC[NH2+]C2 ZINC000072432904 406883309 /nfs/dbraw/zinc/88/33/09/406883309.db2.gz FWSSOSRWRKKLCC-KRWDZBQOSA-N 1 0 303.406 1.611 50 0 DDAARO COc1cc2nc(Cl)nc(N3CC[NH2+]CC3)c2cc1OC ZINC000073735593 406892867 /nfs/dbraw/zinc/89/28/67/406892867.db2.gz IVBHANZNNLJYRJ-UHFFFAOYSA-N 1 0 308.769 1.710 50 0 DDAARO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000027119878 406908099 /nfs/dbraw/zinc/90/80/99/406908099.db2.gz HCZVIOMKJRKYTR-GFCCVEGCSA-N 1 0 319.457 1.141 50 0 DDAARO COc1cn(-c2ccc(F)cc2)nc1C(=O)NCC[NH+](C)C ZINC000012444001 406845066 /nfs/dbraw/zinc/84/50/66/406845066.db2.gz FHSNIPWIFFTRSK-UHFFFAOYSA-N 1 0 306.341 1.311 50 0 DDAARO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cnc[nH]1 ZINC000075093106 406921562 /nfs/dbraw/zinc/92/15/62/406921562.db2.gz FWEAMCFGHAVOQN-UHFFFAOYSA-N 1 0 314.389 1.296 50 0 DDAARO C[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(F)cc1 ZINC000032804002 406953483 /nfs/dbraw/zinc/95/34/83/406953483.db2.gz IKQRTFPFNNWGDX-UHFFFAOYSA-N 1 0 300.337 1.767 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NCC[NH+]3CCC(C)CC3)nc2n1 ZINC000044952486 407035347 /nfs/dbraw/zinc/03/53/47/407035347.db2.gz KVILNKLRIRKKBR-UHFFFAOYSA-N 1 0 316.409 1.203 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000044940183 407035532 /nfs/dbraw/zinc/03/55/32/407035532.db2.gz PRVNMYNXGMQLLF-LBPRGKRZSA-N 1 0 317.389 1.622 50 0 DDAARO C[C@H](C1CCN(C(=O)c2cscn2)CC1)[NH+]1CCN(C)CC1 ZINC000077287905 406983721 /nfs/dbraw/zinc/98/37/21/406983721.db2.gz MTGNAFYMKFOHJQ-CYBMUJFWSA-N 1 0 322.478 1.631 50 0 DDAARO CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037798086 406994123 /nfs/dbraw/zinc/99/41/23/406994123.db2.gz IBBSDRKHRFMDEZ-JQWIXIFHSA-N 1 0 313.195 1.130 50 0 DDAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000048080877 407088996 /nfs/dbraw/zinc/08/89/96/407088996.db2.gz YAEIYGWFEUPJLE-LRDDRELGSA-N 1 0 319.453 1.768 50 0 DDAARO CC(=O)NCC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000084753057 407094028 /nfs/dbraw/zinc/09/40/28/407094028.db2.gz KBCVDJOKKSJWFK-UHFFFAOYSA-N 1 0 323.481 1.873 50 0 DDAARO CCn1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000085455988 407100949 /nfs/dbraw/zinc/10/09/49/407100949.db2.gz FVTCYPCIXKOJRY-KBPBESRZSA-N 1 0 308.426 1.522 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCO)C1CC1)c1cccs1 ZINC000089312241 407130474 /nfs/dbraw/zinc/13/04/74/407130474.db2.gz MMWGHNMFCDVBHG-OLZOCXBDSA-N 1 0 311.451 1.811 50 0 DDAARO O[C@@H](c1ccccc1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000051531926 407141784 /nfs/dbraw/zinc/14/17/84/407141784.db2.gz CGCPYOPJRUHITB-ROUUACIJSA-N 1 0 315.417 1.690 50 0 DDAARO NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000089781108 407149023 /nfs/dbraw/zinc/14/90/23/407149023.db2.gz JREANMVUKOHFGT-MRXNPFEDSA-N 1 0 314.364 1.569 50 0 DDAARO NC(=O)C1CC[NH+](Cc2ccc(Sc3ncccn3)o2)CC1 ZINC000055269686 407199096 /nfs/dbraw/zinc/19/90/96/407199096.db2.gz UCFQGQRPNMEXDT-UHFFFAOYSA-N 1 0 318.402 1.918 50 0 DDAARO O=C1C[C@@H]([NH2+]C[C@@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 ZINC000095299530 407207405 /nfs/dbraw/zinc/20/74/05/407207405.db2.gz VAMWECCUGRLWRX-QWHCGFSZSA-N 1 0 308.765 1.741 50 0 DDAARO c1cnn(Cc2cccc(-c3cn(C[C@H]4C[NH2+]CCO4)nn3)c2)c1 ZINC000095354641 407208019 /nfs/dbraw/zinc/20/80/19/407208019.db2.gz OSPZMAXNDQSBJN-MRXNPFEDSA-N 1 0 324.388 1.178 50 0 DDAARO Cc1nc(C)n(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095361690 407209161 /nfs/dbraw/zinc/20/91/61/407209161.db2.gz OFIQPHBATXATHW-OAHLLOKOSA-N 1 0 319.453 1.666 50 0 DDAARO CC[N@@H+]1CCC[C@H](c2cn(Cc3nnc4ccccn43)nn2)C1 ZINC000095367998 407209649 /nfs/dbraw/zinc/20/96/49/407209649.db2.gz TYCODFNLXNBLIS-ZDUSSCGKSA-N 1 0 311.393 1.568 50 0 DDAARO CCc1cnc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nc1 ZINC000095370531 407210183 /nfs/dbraw/zinc/21/01/83/407210183.db2.gz KAOQHRAGDCEHRN-AWEZNQCLSA-N 1 0 304.438 1.976 50 0 DDAARO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1c[nH]cn1 ZINC000095436033 407213120 /nfs/dbraw/zinc/21/31/20/407213120.db2.gz LHFSWOBBHFKEDX-UHFFFAOYSA-N 1 0 322.434 1.599 50 0 DDAARO Cc1c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cnn1C ZINC000095422606 407213448 /nfs/dbraw/zinc/21/34/48/407213448.db2.gz VITCOBLNUYPBHS-UHFFFAOYSA-N 1 0 300.410 1.539 50 0 DDAARO O=C(NCc1ccco1)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095976595 407219380 /nfs/dbraw/zinc/21/93/80/407219380.db2.gz NPDFQCZTMNWXNB-HZPDHXFCSA-N 1 0 306.406 1.911 50 0 DDAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000095972684 407219493 /nfs/dbraw/zinc/21/94/93/407219493.db2.gz MKYOAPVSWLFKHR-KKUMJFAQSA-N 1 0 309.410 1.146 50 0 DDAARO CN(C)[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356150 407221058 /nfs/dbraw/zinc/22/10/58/407221058.db2.gz UTTOJRAVZULPKR-SJORKVTESA-N 1 0 313.449 1.687 50 0 DDAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)nn(C)c2OC)C1 ZINC000096005902 407222737 /nfs/dbraw/zinc/22/27/37/407222737.db2.gz QSOICCUODOQUHI-CYBMUJFWSA-N 1 0 323.441 1.933 50 0 DDAARO Cc1cccc(CNC(=O)c2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000064760460 407239496 /nfs/dbraw/zinc/23/94/96/407239496.db2.gz VVULTDUBYGIBGW-UHFFFAOYSA-N 1 0 313.401 1.648 50 0 DDAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]cnc2C1 ZINC000096162427 407242410 /nfs/dbraw/zinc/24/24/10/407242410.db2.gz MNFHXWZJRBOJCU-ZDUSSCGKSA-N 1 0 309.373 1.346 50 0 DDAARO O=C(Nc1ncccn1)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000096485531 407271889 /nfs/dbraw/zinc/27/18/89/407271889.db2.gz DVAAAVGSZRURDL-KGLIPLIRSA-N 1 0 304.394 1.431 50 0 DDAARO C[C@@H](CNc1ncnc(-n2cccn2)c1N)C[NH+]1CCCC1 ZINC000097104569 407280238 /nfs/dbraw/zinc/28/02/38/407280238.db2.gz DPZKAFZLYCIOPE-LBPRGKRZSA-N 1 0 301.398 1.388 50 0 DDAARO [NH3+]C[C@@H]1Cc2cccc(-c3nc4ccccc4n3CCO)c2O1 ZINC000067696954 407280286 /nfs/dbraw/zinc/28/02/86/407280286.db2.gz UWHWPJSJIHIQFF-ZDUSSCGKSA-N 1 0 309.369 1.958 50 0 DDAARO COc1c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(C)nn1C ZINC000097108582 407280525 /nfs/dbraw/zinc/28/05/25/407280525.db2.gz GHZJEUKIDGMJQV-CQSZACIVSA-N 1 0 323.437 1.755 50 0 DDAARO CSc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000097139958 407281872 /nfs/dbraw/zinc/28/18/72/407281872.db2.gz WBVRAKUQTWHPMB-UHFFFAOYSA-N 1 0 309.435 1.803 50 0 DDAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CCOCC1 ZINC000097142584 407283364 /nfs/dbraw/zinc/28/33/64/407283364.db2.gz RWRIVGVRJZMVFJ-YOEHRIQHSA-N 1 0 317.433 1.985 50 0 DDAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCO)C2=O)cc1 ZINC000067846671 407286846 /nfs/dbraw/zinc/28/68/46/407286846.db2.gz QLXAVAVMRGIBMZ-GOSISDBHSA-N 1 0 320.433 1.245 50 0 DDAARO COCC(=O)NC[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000067920419 407290021 /nfs/dbraw/zinc/29/00/21/407290021.db2.gz WLNLDKRMLGLQPC-CQSZACIVSA-N 1 0 313.401 1.819 50 0 DDAARO CNc1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)ccn1 ZINC000097347062 407291345 /nfs/dbraw/zinc/29/13/45/407291345.db2.gz DXOHZBNDYQWDPK-UHFFFAOYSA-N 1 0 320.462 1.777 50 0 DDAARO C[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1O ZINC000097716739 407301834 /nfs/dbraw/zinc/30/18/34/407301834.db2.gz QYINUIDIYRWXEG-DOTOQJQBSA-N 1 0 315.373 1.587 50 0 DDAARO COc1ccnc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000106933685 407368172 /nfs/dbraw/zinc/36/81/72/407368172.db2.gz ULQXBYWOWFFRFE-CQSZACIVSA-N 1 0 305.422 1.775 50 0 DDAARO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000108479925 407386414 /nfs/dbraw/zinc/38/64/14/407386414.db2.gz CBDNRYQIAJAAHD-KGLIPLIRSA-N 1 0 319.405 1.928 50 0 DDAARO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000195537987 407465499 /nfs/dbraw/zinc/46/54/99/407465499.db2.gz UTJYPAGSMHALPI-SOLBZPMBSA-N 1 0 324.465 1.810 50 0 DDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000178495859 407473561 /nfs/dbraw/zinc/47/35/61/407473561.db2.gz LHQCEDAQUSGWSW-CQSZACIVSA-N 1 0 302.422 1.896 50 0 DDAARO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000127880875 407474414 /nfs/dbraw/zinc/47/44/14/407474414.db2.gz NIRXXXOXCQHZLT-UHFFFAOYSA-N 1 0 315.776 1.922 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000178534851 407485581 /nfs/dbraw/zinc/48/55/81/407485581.db2.gz TXFLLZISXLDXPL-JTQLQIEISA-N 1 0 302.296 1.891 50 0 DDAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1c[nH]nc1-c1cccs1 ZINC000215762081 407491905 /nfs/dbraw/zinc/49/19/05/407491905.db2.gz ARAUKDQIMHPUPA-LLVKDONJSA-N 1 0 306.391 1.133 50 0 DDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ncccc1OCc1ccncc1 ZINC000178396620 407442112 /nfs/dbraw/zinc/44/21/12/407442112.db2.gz NFXXCPGRFIFPIS-CQSZACIVSA-N 1 0 312.373 1.537 50 0 DDAARO Cc1occc1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC000253421098 407444592 /nfs/dbraw/zinc/44/45/92/407444592.db2.gz PTVAXOCMQWXSQV-UHFFFAOYSA-N 1 0 316.405 1.758 50 0 DDAARO CN1C(=O)C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000253425558 407445383 /nfs/dbraw/zinc/44/53/83/407445383.db2.gz QWYSREUTXJFCAW-KCQAQPDRSA-N 1 0 321.808 1.480 50 0 DDAARO O=C(Cc1ccccn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000220630560 407543614 /nfs/dbraw/zinc/54/36/14/407543614.db2.gz PGIGJTBFNYUWFA-INIZCTEOSA-N 1 0 303.406 1.384 50 0 DDAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)Cn1nc2ccccc2n1 ZINC000221275874 407546254 /nfs/dbraw/zinc/54/62/54/407546254.db2.gz BBMYAKOTUWVZDQ-MRXNPFEDSA-N 1 0 301.394 1.232 50 0 DDAARO COc1cc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000221291034 407546435 /nfs/dbraw/zinc/54/64/35/407546435.db2.gz FPKPEQYLYNBUIC-CQSZACIVSA-N 1 0 321.396 1.296 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000229589569 407668717 /nfs/dbraw/zinc/66/87/17/407668717.db2.gz UOXVVGKYBVOXKC-SJORKVTESA-N 1 0 305.466 1.971 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000230279024 407685170 /nfs/dbraw/zinc/68/51/70/407685170.db2.gz SZCCTRMAXYXHLG-RBSFLKMASA-N 1 0 324.446 1.549 50 0 DDAARO O[C@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000229478155 407664058 /nfs/dbraw/zinc/66/40/58/407664058.db2.gz ROENPVNABQQVSY-CZUORRHYSA-N 1 0 304.369 1.863 50 0 DDAARO COC(=O)c1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000272040157 407751200 /nfs/dbraw/zinc/75/12/00/407751200.db2.gz XTGBMLYPTSBNHP-UHFFFAOYSA-N 1 0 303.362 1.857 50 0 DDAARO O=C(NCCc1nccs1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000239654438 407904956 /nfs/dbraw/zinc/90/49/56/407904956.db2.gz BNNGUDMBIGCZOC-UHFFFAOYSA-N 1 0 301.415 1.804 50 0 DDAARO COCCC[N@H+](C)CCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000241383555 407910416 /nfs/dbraw/zinc/91/04/16/407910416.db2.gz MWDQHAKIDYJXFQ-MRXNPFEDSA-N 1 0 321.400 1.591 50 0 DDAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245338724 407953485 /nfs/dbraw/zinc/95/34/85/407953485.db2.gz OALGXHDSXGXWEY-KBRIMQKVSA-N 1 0 313.401 1.940 50 0 DDAARO CCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000154089072 407968989 /nfs/dbraw/zinc/96/89/89/407968989.db2.gz WWNVLDQKMAMCFW-RYUDHWBXSA-N 1 0 310.419 1.303 50 0 DDAARO Cc1cc(C)nc(CCNC(=O)CC[C@H](C)[NH+]2CCOCC2)n1 ZINC000244707835 407931558 /nfs/dbraw/zinc/93/15/58/407931558.db2.gz KIKMJIWHDTVNIK-HNNXBMFYSA-N 1 0 320.437 1.253 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C[C@H](C)[NH2+]1 ZINC000153957685 407939549 /nfs/dbraw/zinc/93/95/49/407939549.db2.gz USMBOZNJIKHAMZ-PHIMTYICSA-N 1 0 320.343 1.973 50 0 DDAARO CN(Cc1cc(C2CC2)n[nH]1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(N)n1 ZINC000244872977 407941887 /nfs/dbraw/zinc/94/18/87/407941887.db2.gz WHUWSHBIHLHLKE-XYPYZODXSA-N 1 0 313.409 1.500 50 0 DDAARO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c2cnn(C)c2n1 ZINC000121862013 408246300 /nfs/dbraw/zinc/24/63/00/408246300.db2.gz VFTSJTLPDKROMO-SMDDNHRTSA-N 1 0 301.394 1.619 50 0 DDAARO COc1cccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000191358264 408412617 /nfs/dbraw/zinc/41/26/17/408412617.db2.gz VOWNPFPYOCDORU-DLBZAZTESA-N 1 0 319.449 1.948 50 0 DDAARO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247732022 408506209 /nfs/dbraw/zinc/50/62/09/408506209.db2.gz HXDMZDSVEOLJIM-ROUUACIJSA-N 1 0 315.417 1.925 50 0 DDAARO C[C@H](c1cnccn1)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523237 408633856 /nfs/dbraw/zinc/63/38/56/408633856.db2.gz MWRYGCLYXGKSOA-OAHLLOKOSA-N 1 0 314.437 1.831 50 0 DDAARO CN(C)c1noc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)n1 ZINC000252481880 408796638 /nfs/dbraw/zinc/79/66/38/408796638.db2.gz CUMZYKJFTRWGNN-UHFFFAOYSA-N 1 0 318.381 1.519 50 0 DDAARO Cc1ccc(C)c(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000252486901 408798731 /nfs/dbraw/zinc/79/87/31/408798731.db2.gz HQEZQLCODJVXGJ-KRWDZBQOSA-N 1 0 301.434 1.352 50 0 DDAARO CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000252506069 408801892 /nfs/dbraw/zinc/80/18/92/408801892.db2.gz VXQTZYXUMFWKBE-CYBMUJFWSA-N 1 0 311.426 1.596 50 0 DDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NC[C@H]1CCCc2ccccc21 ZINC000252510975 408802408 /nfs/dbraw/zinc/80/24/08/408802408.db2.gz CNCCDIYVTWNXGO-NVXWUHKLSA-N 1 0 315.461 1.859 50 0 DDAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(CO)cc1 ZINC000252536105 408803777 /nfs/dbraw/zinc/80/37/77/408803777.db2.gz HPKPACGDZUIWGJ-ULQDDVLXSA-N 1 0 318.417 1.048 50 0 DDAARO C[C@@H]([NH3+])C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000165542856 408810828 /nfs/dbraw/zinc/81/08/28/408810828.db2.gz LOWHWHMNCKCCQT-MGPQQGTHSA-N 1 0 305.422 1.259 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(C(=O)NC)CCC1 ZINC000249682038 408755179 /nfs/dbraw/zinc/75/51/79/408755179.db2.gz BVORPEBUIFDMAD-UONOGXRCSA-N 1 0 307.438 1.378 50 0 DDAARO C[C@H]1C[C@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000408144702 164241305 /nfs/dbraw/zinc/24/13/05/164241305.db2.gz NACJGPMTJHTQKE-UONOGXRCSA-N 1 0 316.409 1.061 50 0 DDAARO Cc1ccncc1C[N@H+]1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000285577881 409494541 /nfs/dbraw/zinc/49/45/41/409494541.db2.gz SLWIMCVBDWKPLM-MRXNPFEDSA-N 1 0 301.394 1.656 50 0 DDAARO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000332531090 410182840 /nfs/dbraw/zinc/18/28/40/410182840.db2.gz VMPYDXUCPYDBFM-ZDUSSCGKSA-N 1 0 324.446 1.843 50 0 DDAARO CN1CC[NH+](CCC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000299755885 410608716 /nfs/dbraw/zinc/60/87/16/410608716.db2.gz DVIZDUBGABEKLM-KRWDZBQOSA-N 1 0 317.433 1.304 50 0 DDAARO C[N@@H+]1CCCN(CC(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000299763283 410611613 /nfs/dbraw/zinc/61/16/13/410611613.db2.gz ZOJCQOAWXWGJDT-UHFFFAOYSA-N 1 0 321.852 1.862 50 0 DDAARO C[N@@H+]1CCOC[C@H](CNC(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000299787428 410627419 /nfs/dbraw/zinc/62/74/19/410627419.db2.gz NOJZLTKQISNNHS-LLVKDONJSA-N 1 0 303.366 1.263 50 0 DDAARO COc1ncccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000044953586 418435142 /nfs/dbraw/zinc/43/51/42/418435142.db2.gz RXPYGDPAWDAGDB-UHFFFAOYSA-N 1 0 321.425 1.238 50 0 DDAARO C[N@@H+]1CCC[C@](O)(CN2CCN(c3ccccc3F)CC2)C1 ZINC000046087399 418445646 /nfs/dbraw/zinc/44/56/46/418445646.db2.gz VHECUSNXWCEEGB-QGZVFWFLSA-N 1 0 307.413 1.404 50 0 DDAARO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000103271601 418496513 /nfs/dbraw/zinc/49/65/13/418496513.db2.gz BCEQAJOMZHTGNU-GJZGRUSLSA-N 1 0 323.389 1.060 50 0 DDAARO CC(C)(C[N@@H+]1CCC[C@H](c2ccncn2)C1)N1CCOCC1 ZINC000216204952 418560093 /nfs/dbraw/zinc/56/00/93/418560093.db2.gz FXKNLVPMVJROET-HNNXBMFYSA-N 1 0 304.438 1.767 50 0 DDAARO CCCn1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cn1 ZINC000241447062 222211882 /nfs/dbraw/zinc/21/18/82/222211882.db2.gz NQVBTBJAEXONHD-OCCSQVGLSA-N 1 0 314.455 1.053 50 0 DDAARO CCn1ccnc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000365867966 418918403 /nfs/dbraw/zinc/91/84/03/418918403.db2.gz XIGXFXPWZRRIHB-GJZGRUSLSA-N 1 0 313.405 1.721 50 0 DDAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)NCCCCCO ZINC000426387172 419454608 /nfs/dbraw/zinc/45/46/08/419454608.db2.gz XKBPBIOXOAEPSM-QGZVFWFLSA-N 1 0 319.449 1.847 50 0 DDAARO CC(C)N(C)C(=O)CSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000426658211 419524568 /nfs/dbraw/zinc/52/45/68/419524568.db2.gz KNCDRVZYKWLPDG-LLVKDONJSA-N 1 0 311.455 1.241 50 0 DDAARO C[NH2+]Cc1nnc(SCc2noc([C@@H]3CCCO3)n2)n1C ZINC000426642862 419525615 /nfs/dbraw/zinc/52/56/15/419525615.db2.gz FVFOTNPNHAHUBJ-QMMMGPOBSA-N 1 0 310.383 1.061 50 0 DDAARO COc1cc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc(OC)c1 ZINC000426530925 419498477 /nfs/dbraw/zinc/49/84/77/419498477.db2.gz QWBKZHAUBIYGIL-CQSZACIVSA-N 1 0 321.421 1.592 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000299738747 229372526 /nfs/dbraw/zinc/37/25/26/229372526.db2.gz FUGWVSUXENZLBL-WDEREUQCSA-N 1 0 323.343 1.125 50 0 DDAARO [NH3+]C[C@H]1CCCCN1c1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000557310638 421767270 /nfs/dbraw/zinc/76/72/70/421767270.db2.gz MSRMFBSFSPYAQS-SSDOTTSWSA-N 1 0 300.288 1.689 50 0 DDAARO CN1CC[N@H+](C[C@H](O)C[C@](C)(O)C2CC2)Cc2ccccc21 ZINC000630035155 421848542 /nfs/dbraw/zinc/84/85/42/421848542.db2.gz BVQKPQXQWHVKAN-AEFFLSMTSA-N 1 0 304.434 1.850 50 0 DDAARO CCOc1cccc(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000585120942 422306773 /nfs/dbraw/zinc/30/67/73/422306773.db2.gz YMAYAFRZHOHTGS-ZBFHGGJFSA-N 1 0 304.390 1.565 50 0 DDAARO Cn1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccsc3)C2)c1=O ZINC000618257419 422522626 /nfs/dbraw/zinc/52/26/26/422522626.db2.gz VUSJPJKWQOXNDY-ZDUSSCGKSA-N 1 0 317.414 1.451 50 0 DDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000195544800 274081423 /nfs/dbraw/zinc/08/14/23/274081423.db2.gz PYWMARSRXXGHEV-RYUDHWBXSA-N 1 0 302.296 1.351 50 0 DDAARO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(-n2cnnn2)cc1 ZINC000090454054 274263065 /nfs/dbraw/zinc/26/30/65/274263065.db2.gz XUAAZEVHSAITNP-RISCZKNCSA-N 1 0 309.377 1.594 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc2ccc(C)cc2n1C ZINC000299777311 276360048 /nfs/dbraw/zinc/36/00/48/276360048.db2.gz PSFUGTKBNPFWRG-YOEHRIQHSA-N 1 0 315.417 1.936 50 0 DDAARO COc1ccnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000096484306 278066627 /nfs/dbraw/zinc/06/66/27/278066627.db2.gz WLOQVEQYYPLXKA-CQSZACIVSA-N 1 0 306.410 1.566 50 0 DDAARO CS(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091860668 278112110 /nfs/dbraw/zinc/11/21/10/278112110.db2.gz OVIJRKDDHDMTRA-DLBZAZTESA-N 1 0 322.474 1.975 50 0 DDAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237661790 279840689 /nfs/dbraw/zinc/84/06/89/279840689.db2.gz VXKBDKFZLYLYMG-HOCLYGCPSA-N 1 0 317.433 1.622 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCCc3c1cnn3C)CN2 ZINC000058298885 280702095 /nfs/dbraw/zinc/70/20/95/280702095.db2.gz 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COc1ccc(C(=O)N2C[C@@H](CO)C3(C2)CC[NH2+]CC3)cc1 ZINC000581800968 761707281 /nfs/dbraw/zinc/70/72/81/761707281.db2.gz UYSINIVONXHAPB-AWEZNQCLSA-N 1 0 304.390 1.129 50 0 DDAARO O=C(NCC[NH+]1CCCCCC1)[C@]1(CCO)CC12CCOCC2 ZINC000581811562 761713784 /nfs/dbraw/zinc/71/37/84/761713784.db2.gz PFKQLLKRZIRQKC-SFHVURJKSA-N 1 0 324.465 1.548 50 0 DDAARO Cn1c(C[N@H+](C)CC(C)(C)CN2CCOCC2)cnc1Cl ZINC000585091344 771943037 /nfs/dbraw/zinc/94/30/37/771943037.db2.gz RTWXKUTVXASEIJ-UHFFFAOYSA-N 1 0 314.861 1.864 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(C)(C)n1cccc1 ZINC000952872358 775616595 /nfs/dbraw/zinc/61/65/95/775616595.db2.gz MGGDVLIIVYWWIE-HNNXBMFYSA-N 1 0 307.438 1.792 50 0 DDAARO COc1ccccc1Cc1n[nH]c(CN(C)C2CC[NH2+]CC2)n1 ZINC000952873724 775621916 /nfs/dbraw/zinc/62/19/16/775621916.db2.gz ZCCWUKXCHHWQOX-UHFFFAOYSA-N 1 0 315.421 1.588 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCOC1 ZINC000048302359 295659461 /nfs/dbraw/zinc/65/94/61/295659461.db2.gz GQTLSSKFOARQMN-KBPBESRZSA-N 1 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COc1cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)ccc1F ZINC000097032474 185399273 /nfs/dbraw/zinc/39/92/73/185399273.db2.gz VFDACBRRBSFTBF-NSHDSACASA-N 1 0 310.369 1.767 50 0 DDAARO CCn1ncc(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087126 539556231 /nfs/dbraw/zinc/55/62/31/539556231.db2.gz POSCPHVBCZLHGK-RHSMWYFYSA-N 1 0 314.437 1.693 50 0 DDAARO CC1CCC(O)(C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2C(N)=O)CC1 ZINC000685939860 539564073 /nfs/dbraw/zinc/56/40/73/539564073.db2.gz MMAVWQCWGAOTEB-KDJCLPLCSA-N 1 0 320.437 1.977 50 0 DDAARO NC(=O)c1cnc(C2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)[nH]1 ZINC000685940989 539565646 /nfs/dbraw/zinc/56/56/46/539565646.db2.gz NDONRJVVBHKWQB-GXTWGEPZSA-N 1 0 306.410 1.239 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000133371734 185978533 /nfs/dbraw/zinc/97/85/33/185978533.db2.gz OJWGEKKMMIPTIX-LBPRGKRZSA-N 1 0 303.341 1.230 50 0 DDAARO CN(C)C(=O)c1cncc(N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000071749904 191022355 /nfs/dbraw/zinc/02/23/55/191022355.db2.gz RQVGRIMQMJVKFW-UHFFFAOYSA-N 1 0 303.410 1.148 50 0 DDAARO O[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000071753377 191024178 /nfs/dbraw/zinc/02/41/78/191024178.db2.gz XCZGOEGEGBQABW-HOTGVXAUSA-N 1 0 302.422 1.780 50 0 DDAARO C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1nc2c(s1)CCCC2 ZINC000071765494 191027619 /nfs/dbraw/zinc/02/76/19/191027619.db2.gz AOUOSAJJXNNTBS-VIFPVBQESA-N 1 0 320.422 1.063 50 0 DDAARO C[C@H]1CN(c2nc(-c3ccncc3)nc3c2cnn3C)CC[NH2+]1 ZINC000072135185 191045796 /nfs/dbraw/zinc/04/57/96/191045796.db2.gz HKSMPUVMSWDXJD-NSHDSACASA-N 1 0 309.377 1.223 50 0 DDAARO Cc1cc2cccc(C(=O)NC[C@@]3(O)CCC[NH2+]CC3)c2o1 ZINC000072134750 191046187 /nfs/dbraw/zinc/04/61/87/191046187.db2.gz BPYSHBUAWOKYBE-QGZVFWFLSA-N 1 0 302.374 1.976 50 0 DDAARO CCn1nc(C(C)C)cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000072142017 191048863 /nfs/dbraw/zinc/04/88/63/191048863.db2.gz NUOHBDVIIHYBAN-INIZCTEOSA-N 1 0 308.426 1.165 50 0 DDAARO Cc1nccc(-c2ccccc2)c1C(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000072145419 191050992 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COc1cccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000237461248 186293133 /nfs/dbraw/zinc/29/31/33/186293133.db2.gz LVLVURZFMYNMLH-HOTGVXAUSA-N 1 0 303.406 1.471 50 0 DDAARO C[C@@H](C[NH3+])N(C)C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000237463928 186293637 /nfs/dbraw/zinc/29/36/37/186293637.db2.gz DVAGWQZWXJQDOO-VIFPVBQESA-N 1 0 310.785 1.289 50 0 DDAARO C[NH2+]CC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072419284 191156613 /nfs/dbraw/zinc/15/66/13/191156613.db2.gz ZKXNXDSZBLVCMD-NSHDSACASA-N 1 0 316.327 1.405 50 0 DDAARO COc1ccc(CN2CCN(C[C@@H]3CCC[NH2+]C3)CC2=O)cc1 ZINC000072412283 191155180 /nfs/dbraw/zinc/15/51/80/191155180.db2.gz OKOCNIRJPQXHEG-MRXNPFEDSA-N 1 0 317.433 1.339 50 0 DDAARO CCc1nnc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)s1 ZINC000072440668 191167137 /nfs/dbraw/zinc/16/71/37/191167137.db2.gz NIKYEIJOTXFDOP-UHFFFAOYSA-N 1 0 315.406 1.312 50 0 DDAARO COc1cccc(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000174012497 198280399 /nfs/dbraw/zinc/28/03/99/198280399.db2.gz SDCKUBQPNCTJOJ-CQSZACIVSA-N 1 0 303.406 1.343 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1nccn1C ZINC000076042811 353392310 /nfs/dbraw/zinc/39/23/10/353392310.db2.gz UGOIEJYFHYKSQB-CZUORRHYSA-N 1 0 303.410 1.638 50 0 DDAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076055884 353394642 /nfs/dbraw/zinc/39/46/42/353394642.db2.gz HTNIZTDCVTXGBT-YJBOKZPZSA-N 1 0 301.434 1.671 50 0 DDAARO O=C(c1ccc2c(c1)COC2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078788886 353532270 /nfs/dbraw/zinc/53/22/70/353532270.db2.gz HVXMSZQDXCYBNN-IAGOWNOFSA-N 1 0 316.401 1.388 50 0 DDAARO CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000078788729 353532284 /nfs/dbraw/zinc/53/22/84/353532284.db2.gz NNERSDHJCBFFGV-DLBZAZTESA-N 1 0 302.418 1.920 50 0 DDAARO Cc1sc2[nH]cnc(=NNC(=S)NCC[NH+](C)C)c2c1C ZINC000003332292 181007021 /nfs/dbraw/zinc/00/70/21/181007021.db2.gz IABOBZUROSIRRF-UHFFFAOYSA-N 1 0 324.479 1.661 50 0 DDAARO CCCO[C@@H](C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903678 354801983 /nfs/dbraw/zinc/80/19/83/354801983.db2.gz BCZIAHYDXDLHAK-AWEZNQCLSA-N 1 0 306.410 1.728 50 0 DDAARO Cc1nc(C[NH+]2CCC3(CC2)CCNC(=O)CC3)n(C)c1C ZINC000584894913 354796399 /nfs/dbraw/zinc/79/63/99/354796399.db2.gz ZJYJGCSROHNSPG-UHFFFAOYSA-N 1 0 304.438 1.919 50 0 DDAARO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000236925525 202074591 /nfs/dbraw/zinc/07/45/91/202074591.db2.gz PRNXTNOPQIUGJU-CQSZACIVSA-N 1 0 305.422 1.861 50 0 DDAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000237271194 202212265 /nfs/dbraw/zinc/21/22/65/202212265.db2.gz SAZZFDYPDOOOGS-CQSZACIVSA-N 1 0 302.353 1.835 50 0 DDAARO [NH3+]C1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)Cc2ccccc2C1 ZINC000097019852 283398780 /nfs/dbraw/zinc/39/87/80/283398780.db2.gz BEITWLZGXSPFDY-AWEZNQCLSA-N 1 0 314.307 1.008 50 0 DDAARO COCC[NH+]1CCC(CNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000089591652 192822750 /nfs/dbraw/zinc/82/27/50/192822750.db2.gz MCBYPWBJVFOBBO-OAHLLOKOSA-N 1 0 322.453 1.536 50 0 DDAARO Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C[NH3+])CC2=O)c(F)c1 ZINC000237653818 202318557 /nfs/dbraw/zinc/31/85/57/202318557.db2.gz WUDQPBULCSGROO-OLZOCXBDSA-N 1 0 319.380 1.437 50 0 DDAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000237829201 202364485 /nfs/dbraw/zinc/36/44/85/202364485.db2.gz LJLSVLSJKRXQHJ-ZDUSSCGKSA-N 1 0 314.389 1.126 50 0 DDAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000237942085 202398362 /nfs/dbraw/zinc/39/83/62/202398362.db2.gz OHVIBFYMAGLCBS-KCPJHIHWSA-N 1 0 310.344 1.992 50 0 DDAARO C[C@@H]1COCC[C@H]1[NH2+]CCCN1c2ccccc2OCC1=O ZINC000192602677 200909223 /nfs/dbraw/zinc/90/92/23/200909223.db2.gz MJPFBHUHSDHUBE-ZIAGYGMSSA-N 1 0 304.390 1.817 50 0 DDAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]([NH3+])[C@@H](CCO)C1 ZINC000091526188 193069715 /nfs/dbraw/zinc/06/97/15/193069715.db2.gz ITOTUMYMUQBBEE-JSGCOSHPSA-N 1 0 301.390 1.566 50 0 DDAARO CC(=O)N1CCC([NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000091847742 193117239 /nfs/dbraw/zinc/11/72/39/193117239.db2.gz PLDOCKALCLZQLV-UHFFFAOYSA-N 1 0 317.364 1.768 50 0 DDAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000091845368 193117368 /nfs/dbraw/zinc/11/73/68/193117368.db2.gz SQRYGGUYCOTKOC-UHFFFAOYSA-N 1 0 317.441 1.680 50 0 DDAARO CCn1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)cc1=O ZINC000091934319 193129142 /nfs/dbraw/zinc/12/91/42/193129142.db2.gz SOFUDGATOXTERR-CVEARBPZSA-N 1 0 311.385 1.435 50 0 DDAARO C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000091986080 193136850 /nfs/dbraw/zinc/13/68/50/193136850.db2.gz IRPGWAQVOPILCS-WMZOPIPTSA-N 1 0 302.418 1.958 50 0 DDAARO CSc1nccc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000092037110 193144486 /nfs/dbraw/zinc/14/44/86/193144486.db2.gz ZGYCBQDDKXUACM-ZIAGYGMSSA-N 1 0 322.478 1.729 50 0 DDAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CCC(N)=O)C3)cc1 ZINC000092080714 193154739 /nfs/dbraw/zinc/15/47/39/193154739.db2.gz UGDOXMKAPRXCOQ-JKSUJKDBSA-N 1 0 317.433 1.467 50 0 DDAARO CO[C@H](C[NH3+])CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262759103 203399793 /nfs/dbraw/zinc/39/97/93/203399793.db2.gz FNAIVPXJJITBKV-AWEZNQCLSA-N 1 0 310.369 1.311 50 0 DDAARO CC(C)n1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000095939894 193451953 /nfs/dbraw/zinc/45/19/53/193451953.db2.gz VNDWSGGBOFNZBQ-UHFFFAOYSA-N 1 0 302.444 1.330 50 0 DDAARO COc1ccc(COC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013148709 181834314 /nfs/dbraw/zinc/83/43/14/181834314.db2.gz NGEJZYVZVMATJU-IJEWVQPXSA-N 1 0 309.406 1.682 50 0 DDAARO C[N@@H+]1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO ZINC000020210108 182197487 /nfs/dbraw/zinc/19/74/87/182197487.db2.gz NZNVCTQSMWJUCK-ZDUSSCGKSA-N 1 0 306.435 1.432 50 0 DDAARO COc1ccc(CN2CC[N@H+](C)[C@@H](CCO)C2)c(OC)c1OC ZINC000020515786 182226349 /nfs/dbraw/zinc/22/63/49/182226349.db2.gz SFPGCWBIYMKJNI-AWEZNQCLSA-N 1 0 324.421 1.211 50 0 DDAARO C[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000022998973 182344327 /nfs/dbraw/zinc/34/43/27/182344327.db2.gz ZWPXFLYCDQURIJ-UHFFFAOYSA-N 1 0 323.824 1.414 50 0 DDAARO CC(C)(C)NC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127404 182349338 /nfs/dbraw/zinc/34/93/38/182349338.db2.gz OQXUCZXONRETIJ-UHFFFAOYSA-N 1 0 309.454 1.672 50 0 DDAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000036297090 182814225 /nfs/dbraw/zinc/81/42/25/182814225.db2.gz FUFGMWHIBZEERY-JTQLQIEISA-N 1 0 308.325 1.817 50 0 DDAARO NC(=O)[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043095406 183337225 /nfs/dbraw/zinc/33/72/25/183337225.db2.gz QTVJDILZFHHWIP-QWHCGFSZSA-N 1 0 320.393 1.076 50 0 DDAARO CN(CC[NH+]1CCCCCC1)c1nccc(N2CC[C@@H](O)C2)n1 ZINC000106258144 194192983 /nfs/dbraw/zinc/19/29/83/194192983.db2.gz IHLHSMJZFBMAEE-OAHLLOKOSA-N 1 0 319.453 1.360 50 0 DDAARO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C2 ZINC000106517225 194223139 /nfs/dbraw/zinc/22/31/39/194223139.db2.gz HZGJZWJMXYBQHZ-KBPBESRZSA-N 1 0 304.390 1.457 50 0 DDAARO CCOc1ccc(CN(CCOC)C(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000055061150 183961012 /nfs/dbraw/zinc/96/10/12/183961012.db2.gz UJTRSSFBNOANNV-HNNXBMFYSA-N 1 0 306.406 1.670 50 0 DDAARO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000057943018 184063544 /nfs/dbraw/zinc/06/35/44/184063544.db2.gz KMZJMACUCBMMAZ-OAHLLOKOSA-N 1 0 324.396 1.366 50 0 DDAARO COc1cc(CN2CC[NH+](CCO)CC2)ccc1OC(F)F ZINC000058007693 184066952 /nfs/dbraw/zinc/06/69/52/184066952.db2.gz DHYAKCIRMOBTJQ-UHFFFAOYSA-N 1 0 316.348 1.407 50 0 DDAARO COc1ccc(CCNC(=[NH2+])NCc2nnc3n2CCC3)cc1 ZINC000058185279 184086172 /nfs/dbraw/zinc/08/61/72/184086172.db2.gz KQKKGZKPSRJLBY-UHFFFAOYSA-N 1 0 314.393 1.090 50 0 DDAARO COc1ccc(CC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC ZINC000058277904 184098441 /nfs/dbraw/zinc/09/84/41/184098441.db2.gz GFJMCDSSLHLFPC-UHFFFAOYSA-N 1 0 318.417 1.943 50 0 DDAARO O=c1ccccn1CCCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058296332 184102297 /nfs/dbraw/zinc/10/22/97/184102297.db2.gz NFCGIQVOOCCSON-CQSZACIVSA-N 1 0 301.394 1.157 50 0 DDAARO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000065488418 184353325 /nfs/dbraw/zinc/35/33/25/184353325.db2.gz MBJWRPWMONEEMS-GFCCVEGCSA-N 1 0 312.435 1.898 50 0 DDAARO CCn1nccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000119841136 195046357 /nfs/dbraw/zinc/04/63/57/195046357.db2.gz DJJNIIZVUOBEJU-CYBMUJFWSA-N 1 0 300.410 1.820 50 0 DDAARO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)c(C)n1-c1nccs1 ZINC000155168434 197029011 /nfs/dbraw/zinc/02/90/11/197029011.db2.gz HNBKHMDAKXUBAH-JTQLQIEISA-N 1 0 304.419 1.985 50 0 DDAARO COc1cc(CCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000237316382 257239556 /nfs/dbraw/zinc/23/95/56/257239556.db2.gz RLYWTOVECKCZRT-OCCSQVGLSA-N 1 0 306.406 1.975 50 0 DDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccncc1 ZINC000355938552 257242530 /nfs/dbraw/zinc/24/25/30/257242530.db2.gz VQAUKRJLKQHHAF-INIZCTEOSA-N 1 0 320.437 1.376 50 0 DDAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000071871842 184879464 /nfs/dbraw/zinc/87/94/64/184879464.db2.gz JIKAZJLWUNUZBU-ZDUSSCGKSA-N 1 0 305.426 1.318 50 0 DDAARO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1S(C)(=O)=O ZINC000121902935 195371034 /nfs/dbraw/zinc/37/10/34/195371034.db2.gz SSYHGFBJTFEDFB-TZMCWYRMSA-N 1 0 324.446 1.740 50 0 DDAARO CCOCC[N@H+](C)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000408523747 286075731 /nfs/dbraw/zinc/07/57/31/286075731.db2.gz VBHFPKDYXIRXFD-HNNXBMFYSA-N 1 0 304.431 1.573 50 0 DDAARO COCC1(NC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000426373606 292250675 /nfs/dbraw/zinc/25/06/75/292250675.db2.gz KZATWPFGFMGILD-AWEZNQCLSA-N 1 0 320.437 1.426 50 0 DDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1ccc(F)c(F)c1 ZINC000223331468 407567841 /nfs/dbraw/zinc/56/78/41/407567841.db2.gz BVHNGYNSJCSOCU-GLZXHMCRSA-N 1 0 324.371 1.731 50 0 DDAARO COc1ccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)cc1 ZINC000000098656 406621086 /nfs/dbraw/zinc/62/10/86/406621086.db2.gz QGPAVXUCMAIYLE-AWEZNQCLSA-N 1 0 313.377 1.914 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CCC[NH2+]CCSCC2)cc1 ZINC000068604675 406653495 /nfs/dbraw/zinc/65/34/95/406653495.db2.gz IIWAOXFPGAGMLO-UHFFFAOYSA-N 1 0 314.476 1.712 50 0 DDAARO CC(=O)NC1(NC(C)=O)CC[N@@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000000992625 406663312 /nfs/dbraw/zinc/66/33/12/406663312.db2.gz MMURFEHJWKZFRH-WBMJQRKESA-N 1 0 303.406 1.668 50 0 DDAARO CCOCCOc1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000002000109 406681218 /nfs/dbraw/zinc/68/12/18/406681218.db2.gz NZDSUVDPKJPHMH-UHFFFAOYSA-N 1 0 306.406 1.928 50 0 DDAARO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069369527 406701934 /nfs/dbraw/zinc/70/19/34/406701934.db2.gz HMFUXQLYKHSLCW-OAHLLOKOSA-N 1 0 318.417 1.966 50 0 DDAARO COCCCn1c(C)c(C)c2c1ncnc2N1CC[NH+](C)CC1 ZINC000006759761 406739950 /nfs/dbraw/zinc/73/99/50/406739950.db2.gz PUTLNXLXXNIXKY-UHFFFAOYSA-N 1 0 317.437 1.836 50 0 DDAARO CN(CCC[NH+]1CCN(C)CC1)c1ncnc2ccsc21 ZINC000069621967 406745947 /nfs/dbraw/zinc/74/59/47/406745947.db2.gz DYTXICAFFUZPPG-UHFFFAOYSA-N 1 0 305.451 1.765 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000069632775 406748154 /nfs/dbraw/zinc/74/81/54/406748154.db2.gz CJLDKMKUAYRWNA-CYBMUJFWSA-N 1 0 302.378 1.234 50 0 DDAARO CN1CCO[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000069698947 406757847 /nfs/dbraw/zinc/75/78/47/406757847.db2.gz FOIKVOXKBLBYGG-JTQLQIEISA-N 1 0 305.241 1.931 50 0 DDAARO C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007612645 406760203 /nfs/dbraw/zinc/76/02/03/406760203.db2.gz IUGURJBXSHRGDD-UHFFFAOYSA-N 1 0 314.407 1.078 50 0 DDAARO CN(C)C(=O)C1CC[NH+](CCn2c3ccccc3oc2=O)CC1 ZINC000069770851 406769003 /nfs/dbraw/zinc/76/90/03/406769003.db2.gz TUOKNUMIOSDGOS-UHFFFAOYSA-N 1 0 317.389 1.395 50 0 DDAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)CC ZINC000069492629 406723078 /nfs/dbraw/zinc/72/30/78/406723078.db2.gz PIIAEZNARMAHRE-UHFFFAOYSA-N 1 0 324.450 1.758 50 0 DDAARO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)[NH+](C)C ZINC000069492659 406724163 /nfs/dbraw/zinc/72/41/63/406724163.db2.gz MLSADFQATQLWNB-CYBMUJFWSA-N 1 0 311.470 1.918 50 0 DDAARO CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000069528840 406729127 /nfs/dbraw/zinc/72/91/27/406729127.db2.gz XKUSOTMWNKLYTR-BBWFWOEESA-N 1 0 321.465 1.767 50 0 DDAARO c1cc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n[nH]1 ZINC000069518249 406729486 /nfs/dbraw/zinc/72/94/86/406729486.db2.gz HDNJQAFWTKQBFC-ZDUSSCGKSA-N 1 0 302.382 1.424 50 0 DDAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OC ZINC000008254351 406783263 /nfs/dbraw/zinc/78/32/63/406783263.db2.gz KCQLZWQBIOLNRD-UHFFFAOYSA-N 1 0 323.422 1.499 50 0 DDAARO Cc1ccc([C@H](C)NC(=O)C[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000069870104 406784810 /nfs/dbraw/zinc/78/48/10/406784810.db2.gz WPFIJCXGBFZPHF-DOTOQJQBSA-N 1 0 319.449 1.401 50 0 DDAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000069901292 406788944 /nfs/dbraw/zinc/78/89/44/406788944.db2.gz AZPMMXPNULQLHL-DYEKYZERSA-N 1 0 310.369 1.151 50 0 DDAARO CC[C@H]1C[N@H+](CC2CCN(C(C)=O)CC2)CCN1CCOC ZINC000069928441 406794115 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CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000179083273 407715659 /nfs/dbraw/zinc/71/56/59/407715659.db2.gz SHETTWOCAIBVAT-JTQLQIEISA-N 1 0 314.382 1.053 50 0 DDAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229352117 407661448 /nfs/dbraw/zinc/66/14/48/407661448.db2.gz BFHVWZREVCXAFQ-XJFOESAGSA-N 1 0 300.468 1.838 50 0 DDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000237959518 407858348 /nfs/dbraw/zinc/85/83/48/407858348.db2.gz CVBJTDJOANRSPY-MRXNPFEDSA-N 1 0 315.417 1.762 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C1 ZINC000133701349 407870107 /nfs/dbraw/zinc/87/01/07/407870107.db2.gz PMTHQRFOFBYDLR-GHMZBOCLSA-N 1 0 310.423 1.058 50 0 DDAARO O=C(CN1CCC[N@H+](CC[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000188719605 407971248 /nfs/dbraw/zinc/97/12/48/407971248.db2.gz CTIZXHMQDMIXBG-INIZCTEOSA-N 1 0 309.454 1.186 50 0 DDAARO O=C(C[NH+]1CCCCCC1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244723872 407935591 /nfs/dbraw/zinc/93/55/91/407935591.db2.gz MJCGUQZCHNNKSA-IIDMSEBBSA-N 1 0 317.433 1.886 50 0 DDAARO Cc1ccc(OCCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000244794848 407937996 /nfs/dbraw/zinc/93/79/96/407937996.db2.gz QVBRKWPPMFGONW-MRXNPFEDSA-N 1 0 319.449 1.434 50 0 DDAARO COCc1nc(CN2CCC([NH+]3CCSCC3)CC2)no1 ZINC000244900281 407943776 /nfs/dbraw/zinc/94/37/76/407943776.db2.gz ZZFGJACLXSCSRC-UHFFFAOYSA-N 1 0 312.439 1.229 50 0 DDAARO COc1ccnc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c1 ZINC000244882427 407944996 /nfs/dbraw/zinc/94/49/96/407944996.db2.gz XRMIMAOVPGYSRU-HAQNSBGRSA-N 1 0 316.409 1.055 50 0 DDAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000158569929 408346988 /nfs/dbraw/zinc/34/69/88/408346988.db2.gz FEKRQUSQWKBSLN-PWSUYJOCSA-N 1 0 323.343 1.267 50 0 DDAARO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000177228982 408556994 /nfs/dbraw/zinc/55/69/94/408556994.db2.gz KFWUMCZUHWYHHA-PBHICJAKSA-N 1 0 318.417 1.626 50 0 DDAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000253376482 408814186 /nfs/dbraw/zinc/81/41/86/408814186.db2.gz UBGBRNVMPPSVEV-OWCLPIDISA-N 1 0 320.437 1.421 50 0 DDAARO O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)C1CC1 ZINC000252483176 408797496 /nfs/dbraw/zinc/79/74/96/408797496.db2.gz DWOZFRSVLRSTAU-UHFFFAOYSA-N 1 0 318.508 1.676 50 0 DDAARO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000252512879 408803562 /nfs/dbraw/zinc/80/35/62/408803562.db2.gz WMPDGDGQVAJNIS-KGLIPLIRSA-N 1 0 306.410 1.368 50 0 DDAARO CN(Cc1ccc(Br)s1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277667047 408987824 /nfs/dbraw/zinc/98/78/24/408987824.db2.gz FXYGEIMHWIBMJX-IONNQARKSA-N 1 0 319.224 1.192 50 0 DDAARO COc1ccc(OCCN2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000289372702 409255801 /nfs/dbraw/zinc/25/58/01/409255801.db2.gz PHZNNYQSPGEDGL-CQSZACIVSA-N 1 0 318.377 1.713 50 0 DDAARO O=C1CCCN1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000298686362 410346240 /nfs/dbraw/zinc/34/62/40/410346240.db2.gz BDGATNIKLWYYOI-UHFFFAOYSA-N 1 0 319.424 1.956 50 0 DDAARO CCc1nnc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)o1 ZINC000299758085 410608352 /nfs/dbraw/zinc/60/83/52/410608352.db2.gz AVTCJSXCXRZEJS-UHFFFAOYSA-N 1 0 322.409 1.139 50 0 DDAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH2+]CC2 ZINC000299781177 410624345 /nfs/dbraw/zinc/62/43/45/410624345.db2.gz LBFUDEYDQMFQOX-UHFFFAOYSA-N 1 0 313.401 1.560 50 0 DDAARO Cc1ccccc1SCC(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000299786570 410628685 /nfs/dbraw/zinc/62/86/85/410628685.db2.gz VMBHKQYYINRDLQ-OAHLLOKOSA-N 1 0 322.474 1.908 50 0 DDAARO O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299792732 410630638 /nfs/dbraw/zinc/63/06/38/410630638.db2.gz GTFGXIQCJPSUHL-GHMZBOCLSA-N 1 0 304.177 1.838 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)CCOc2ccc(C)cc2OC)C1 ZINC000132871035 196291684 /nfs/dbraw/zinc/29/16/84/196291684.db2.gz CFLWRIACEZAUIO-AWEZNQCLSA-N 1 0 306.406 1.983 50 0 DDAARO O=C([C@H]1CCC(=O)NC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048154353 418465637 /nfs/dbraw/zinc/46/56/37/418465637.db2.gz DTZNQDFENRXGJL-ZDUSSCGKSA-N 1 0 321.446 1.309 50 0 DDAARO CS(=O)(=O)Nc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC000072156512 418489047 /nfs/dbraw/zinc/48/90/47/418489047.db2.gz SKWOOKNUBSQRTP-UHFFFAOYSA-N 1 0 303.387 1.766 50 0 DDAARO O=C(NCCO)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108497535 418500111 /nfs/dbraw/zinc/50/01/11/418500111.db2.gz MJMVORMDOFWUID-YESZJQIVSA-N 1 0 317.433 1.579 50 0 DDAARO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1COc2ccccc2C1 ZINC000048355678 418471172 /nfs/dbraw/zinc/47/11/72/418471172.db2.gz WVNWAEHNBWDDOG-INIZCTEOSA-N 1 0 318.417 1.466 50 0 DDAARO Cc1cc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc(=O)[nH]1 ZINC000216138989 418559729 /nfs/dbraw/zinc/55/97/29/418559729.db2.gz SWUDCCUXWMUFIY-HNNXBMFYSA-N 1 0 319.405 1.010 50 0 DDAARO Cc1nc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)cs1 ZINC000223425072 418563546 /nfs/dbraw/zinc/56/35/46/418563546.db2.gz GILIKVBBPIICEF-FAAHXZRKSA-N 1 0 321.446 1.823 50 0 DDAARO CCOC[C@H]1CCCN1C(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426492803 419488187 /nfs/dbraw/zinc/48/81/87/419488187.db2.gz MCLDYCOCXGAMCF-CYBMUJFWSA-N 1 0 310.369 1.804 50 0 DDAARO CC[C@@H](O)CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426411131 419464003 /nfs/dbraw/zinc/46/40/03/419464003.db2.gz AUBPLLQNEVRXCL-GFCCVEGCSA-N 1 0 310.398 1.771 50 0 DDAARO Nc1nc(NCCCC[NH+]2CCCC2)cc([C@@H]2CCOC2)n1 ZINC000426628896 419520357 /nfs/dbraw/zinc/52/03/57/419520357.db2.gz WQZVGLQIYXRZLH-CYBMUJFWSA-N 1 0 305.426 1.273 50 0 DDAARO COCc1noc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000426505752 228580203 /nfs/dbraw/zinc/58/02/03/228580203.db2.gz JXIKKJTVRGGDQB-VIFPVBQESA-N 1 0 324.410 1.104 50 0 DDAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000426534425 419501853 /nfs/dbraw/zinc/50/18/53/419501853.db2.gz HKXHOEWXFIEHOP-LBPRGKRZSA-N 1 0 319.331 1.562 50 0 DDAARO O=C(Cn1ccnn1)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000426566772 419510604 /nfs/dbraw/zinc/51/06/04/419510604.db2.gz AMAURVJJKMPPCK-OAHLLOKOSA-N 1 0 317.368 1.371 50 0 DDAARO Cc1ccc(C(=O)N(C)C[C@H]2COCCO2)cc1OCCC[NH3+] ZINC000299803016 229462103 /nfs/dbraw/zinc/46/21/03/229462103.db2.gz UIKSTAUMQOMLER-HNNXBMFYSA-N 1 0 322.405 1.210 50 0 DDAARO C[C@@H](C1CCN(C(=O)c2cnc(N)s2)CC1)[NH+]1CCCC1 ZINC000584890502 422302433 /nfs/dbraw/zinc/30/24/33/422302433.db2.gz RFYSGRHITPWFAP-NSHDSACASA-N 1 0 308.451 2.062 50 0 DDAARO C[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@@H]1C[NH3+] ZINC000237661121 274554297 /nfs/dbraw/zinc/55/42/97/274554297.db2.gz XHTOPHASUUKBDP-XHDPSFHLSA-N 1 0 317.368 1.606 50 0 DDAARO CCNC(=O)CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082160523 276256261 /nfs/dbraw/zinc/25/62/61/276256261.db2.gz SYOQZWFJYQQRHP-UHFFFAOYSA-N 1 0 316.405 1.411 50 0 DDAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1[nH]c2ccc(F)cc2c1C ZINC000067818793 277010191 /nfs/dbraw/zinc/01/01/91/277010191.db2.gz PZIHJFJSHHTTGI-NHYWBVRUSA-N 1 0 304.369 1.263 50 0 DDAARO COCCN1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000071886603 277227435 /nfs/dbraw/zinc/22/74/35/277227435.db2.gz QYOIFQDOTDMRGP-KRWDZBQOSA-N 1 0 319.449 1.334 50 0 DDAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C2(CC[NH+](C)CC2)N1 ZINC000000083417 277371126 /nfs/dbraw/zinc/37/11/26/277371126.db2.gz WYXCEXDNCDDXFW-HNNXBMFYSA-N 1 0 313.401 1.776 50 0 DDAARO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC000095969340 277461060 /nfs/dbraw/zinc/46/10/60/277461060.db2.gz ZBFPXQRFUCLSJM-BBRMVZONSA-N 1 0 318.417 1.910 50 0 DDAARO C[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+](C)C ZINC000091444959 278187805 /nfs/dbraw/zinc/18/78/05/278187805.db2.gz QXVLMXOTIUBKSC-LBPRGKRZSA-N 1 0 316.405 1.362 50 0 DDAARO CC(=O)[C@H](NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000195530713 278235339 /nfs/dbraw/zinc/23/53/39/278235339.db2.gz BBUOFYLRNUXUCG-NVXWUHKLSA-N 1 0 309.454 1.276 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000229338839 279308515 /nfs/dbraw/zinc/30/85/15/279308515.db2.gz VSVIEXWNJJIESP-ZIAGYGMSSA-N 1 0 323.462 1.916 50 0 DDAARO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000095941184 280232930 /nfs/dbraw/zinc/23/29/30/280232930.db2.gz JBYNFCWDFUORGV-YOEHRIQHSA-N 1 0 304.434 1.956 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000151045094 281664076 /nfs/dbraw/zinc/66/40/76/281664076.db2.gz VKUPWSLKSNSCBY-LBPRGKRZSA-N 1 0 319.380 1.777 50 0 DDAARO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC[NH+](C)C ZINC000004008541 299033222 /nfs/dbraw/zinc/03/32/22/299033222.db2.gz XOIVLXGUDVXAJJ-IHWZXDPASA-N 1 0 321.465 1.385 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C[C@H]1[NH+](C)C ZINC000266263628 300199115 /nfs/dbraw/zinc/19/91/15/300199115.db2.gz YHVKIBNICNCMPC-COPLHBTASA-N 1 0 317.389 1.428 50 0 DDAARO CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCc2n[nH]cc2C1 ZINC000534644139 334306542 /nfs/dbraw/zinc/30/65/42/334306542.db2.gz AJSMGVOZPUOLAT-ZDUSSCGKSA-N 1 0 307.442 1.988 50 0 DDAARO Cc1cc(=O)cc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC000534656004 334313664 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O=C(NCC[N@H+]1CCCC[C@H]1CO)c1onc2c1CCCC2 ZINC000670445005 484832644 /nfs/dbraw/zinc/83/26/44/484832644.db2.gz HJLRYMLPCSZGTL-LBPRGKRZSA-N 1 0 307.394 1.130 50 0 DDAARO Cc1nc(NCC[N@@H+]2CCC[C@H](CO)C2)nc2c1CCCC2 ZINC000670466068 484847395 /nfs/dbraw/zinc/84/73/95/484847395.db2.gz LVHGAQVFIYKKCE-AWEZNQCLSA-N 1 0 304.438 1.780 50 0 DDAARO Cc1ccn(C)c(=O)c1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000666309096 485167946 /nfs/dbraw/zinc/16/79/46/485167946.db2.gz JSHPLQCTSAUPPW-ZDUSSCGKSA-N 1 0 320.437 1.936 50 0 DDAARO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@H](C)[NH2+]1 ZINC000153533099 524852019 /nfs/dbraw/zinc/85/20/19/524852019.db2.gz DDXRCHQCWMSGIT-AOOOYVTPSA-N 1 0 303.337 1.490 50 0 DDAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2cccc(F)c2)[nH+]1 ZINC000065365686 526996904 /nfs/dbraw/zinc/99/69/04/526996904.db2.gz WPABOAXARLATEM-UHFFFAOYSA-N 1 0 317.368 1.832 50 0 DDAARO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cncc(F)c1 ZINC000330990945 528502017 /nfs/dbraw/zinc/50/20/17/528502017.db2.gz 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C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 ZINC000072153582 191057023 /nfs/dbraw/zinc/05/70/23/191057023.db2.gz XCSRPEUACONZMF-QGZVFWFLSA-N 1 0 314.389 1.215 50 0 DDAARO Cc1nccn1CCC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072156760 191059594 /nfs/dbraw/zinc/05/95/94/191059594.db2.gz SKRXNHKWAROSKD-UHFFFAOYSA-N 1 0 320.437 1.029 50 0 DDAARO C[C@H]1C[N@H+](CCCNS(=O)(=O)C2CCCCC2)CCCO1 ZINC000331415247 233385603 /nfs/dbraw/zinc/38/56/03/233385603.db2.gz GVTZUSDUUOLYLS-AWEZNQCLSA-N 1 0 318.483 1.739 50 0 DDAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000072281261 191101366 /nfs/dbraw/zinc/10/13/66/191101366.db2.gz HEBBPYYUKPMRGP-CMPLNLGQSA-N 1 0 304.398 1.239 50 0 DDAARO Cn1c2ccc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)cc2oc1=O ZINC000225639282 186285998 /nfs/dbraw/zinc/28/59/98/186285998.db2.gz VBAHUVIQTOWZQE-NSHDSACASA-N 1 0 303.362 1.219 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C ZINC000280074763 215355706 /nfs/dbraw/zinc/35/57/06/215355706.db2.gz 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CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000076057286 353394713 /nfs/dbraw/zinc/39/47/13/353394713.db2.gz NLGTYAWRWJIBTH-IUODEOHRSA-N 1 0 303.406 1.522 50 0 DDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000078897014 353538590 /nfs/dbraw/zinc/53/85/90/353538590.db2.gz ZZZDHIUNUWCTJM-WCQGTBRESA-N 1 0 316.427 1.089 50 0 DDAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000078897546 353538973 /nfs/dbraw/zinc/53/89/73/353538973.db2.gz BKJAXJXVHUKQMD-CZUORRHYSA-N 1 0 317.433 1.783 50 0 DDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)c1ccc(C)o1 ZINC000078941600 353542057 /nfs/dbraw/zinc/54/20/57/353542057.db2.gz ZKJFVSISXWAVGF-PBHICJAKSA-N 1 0 323.437 1.969 50 0 DDAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1c(C)nn(CCO)c1C)CCC2 ZINC000089702106 353778500 /nfs/dbraw/zinc/77/85/00/353778500.db2.gz DOVDHVNFBGPVHE-HNNXBMFYSA-N 1 0 317.437 1.664 50 0 DDAARO C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1CCCN1c1cccnn1 ZINC000097378023 353919754 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Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)cc1 ZINC000013635363 406864331 /nfs/dbraw/zinc/86/43/31/406864331.db2.gz BZOFNDDXXUWKIW-CQSZACIVSA-N 1 0 305.341 1.801 50 0 DDAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(CC3CC3)C2=O)n1 ZINC000015075185 406878830 /nfs/dbraw/zinc/87/88/30/406878830.db2.gz HKFUPVVUKLJPQK-QGZVFWFLSA-N 1 0 303.406 1.243 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000072298339 406879323 /nfs/dbraw/zinc/87/93/23/406879323.db2.gz BGMAQPUDFIHDNO-GUYCJALGSA-N 1 0 319.405 1.990 50 0 DDAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](CCN2CCCCC2)C1 ZINC000072795693 406885504 /nfs/dbraw/zinc/88/55/04/406885504.db2.gz UTHITMWDBROYRH-ZDUSSCGKSA-N 1 0 321.387 1.863 50 0 DDAARO COCC[N@@H+](Cc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036096176 406975449 /nfs/dbraw/zinc/97/54/49/406975449.db2.gz WMDMIELNNCXIMH-MRXNPFEDSA-N 1 0 311.422 1.930 50 0 DDAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(=O)[nH]1 ZINC000075118495 406922585 /nfs/dbraw/zinc/92/25/85/406922585.db2.gz DEGMLWKFEAWRGP-LBPRGKRZSA-N 1 0 305.403 1.778 50 0 DDAARO CC(C)[C@H](CNc1ncnc2c1cnn2C)[NH+]1CCN(C)CC1 ZINC000032760686 406952477 /nfs/dbraw/zinc/95/24/77/406952477.db2.gz UJNFPYAKZYTQKB-AWEZNQCLSA-N 1 0 317.441 1.047 50 0 DDAARO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)N2CCOCC2)C1 ZINC000076089711 406955083 /nfs/dbraw/zinc/95/50/83/406955083.db2.gz QPSCRXOPLVKEDU-KGLIPLIRSA-N 1 0 300.468 1.841 50 0 DDAARO CC[NH+](CC)[C@@H](C)CNC(=O)CCNC(=O)c1cccc(C)c1 ZINC000032922972 406956348 /nfs/dbraw/zinc/95/63/48/406956348.db2.gz VXQXUDDISBSWSG-HNNXBMFYSA-N 1 0 319.449 1.961 50 0 DDAARO C[C@H](CNC(=O)[C@H](C)n1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000044909735 407033291 /nfs/dbraw/zinc/03/32/91/407033291.db2.gz GSDSXXKMQBROOR-KGLIPLIRSA-N 1 0 313.405 1.402 50 0 DDAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)n1 ZINC000044934403 407034577 /nfs/dbraw/zinc/03/45/77/407034577.db2.gz RXDRTEWWBIMNQQ-CYBMUJFWSA-N 1 0 311.389 1.481 50 0 DDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000044941878 407034876 /nfs/dbraw/zinc/03/48/76/407034876.db2.gz YFBWICFXXKNYDL-JKSUJKDBSA-N 1 0 313.401 1.928 50 0 DDAARO COCCn1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000044969387 407036212 /nfs/dbraw/zinc/03/62/12/407036212.db2.gz MKTVZEWXWMFQDT-KGLIPLIRSA-N 1 0 323.441 1.914 50 0 DDAARO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000078869471 407048081 /nfs/dbraw/zinc/04/80/81/407048081.db2.gz ANAOZOLAMWGYMQ-LSDHHAIUSA-N 1 0 305.426 1.705 50 0 DDAARO C[C@@H](CNS(=O)(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000045744879 407048636 /nfs/dbraw/zinc/04/86/36/407048636.db2.gz LZKLYDWDGLULSD-KGLIPLIRSA-N 1 0 303.472 1.427 50 0 DDAARO CSc1nc(N[C@@H]2CCOC3(CCOCC3)C2)cc(N)[nH+]1 ZINC000077356763 406986834 /nfs/dbraw/zinc/98/68/34/406986834.db2.gz DTODMHFMEWIQOD-SNVBAGLBSA-N 1 0 310.423 1.921 50 0 DDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(-c2ccccn2)cc1 ZINC000077453377 406991351 /nfs/dbraw/zinc/99/13/51/406991351.db2.gz YFOFIQWXYHPKIV-AEFFLSMTSA-N 1 0 324.428 1.786 50 0 DDAARO C[C@H](COc1ccccc1)N1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077486629 406992045 /nfs/dbraw/zinc/99/20/45/406992045.db2.gz WKPXIOSTZPUARM-GFCCVEGCSA-N 1 0 303.362 1.128 50 0 DDAARO C[C@@H](C(=O)NCc1cnc(N(C)C)n1C)[NH+]1CCCCCC1 ZINC000096436526 286777794 /nfs/dbraw/zinc/77/77/94/286777794.db2.gz CDHACTXFWALJBJ-ZDUSSCGKSA-N 1 0 307.442 1.367 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000048251775 407092974 /nfs/dbraw/zinc/09/29/74/407092974.db2.gz KCVSFOUPKQMDRW-NSHDSACASA-N 1 0 316.398 1.597 50 0 DDAARO CN1CC[C@H](C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC000046948966 407067784 /nfs/dbraw/zinc/06/77/84/407067784.db2.gz FFGLCBOXOIWTGN-LSDHHAIUSA-N 1 0 309.454 1.482 50 0 DDAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCCO ZINC000082157152 407080818 /nfs/dbraw/zinc/08/08/18/407080818.db2.gz KVDKALTUJKYZFJ-SFHVURJKSA-N 1 0 317.433 1.669 50 0 DDAARO C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047833225 407082208 /nfs/dbraw/zinc/08/22/08/407082208.db2.gz XEBDNKZENXAJGR-QWHCGFSZSA-N 1 0 321.450 1.935 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2cccnc2)C1 ZINC000089314007 407130996 /nfs/dbraw/zinc/13/09/96/407130996.db2.gz QXZWOXDBDRDGKF-UONOGXRCSA-N 1 0 306.410 1.632 50 0 DDAARO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000089520092 407139044 /nfs/dbraw/zinc/13/90/44/407139044.db2.gz NJLDAVDXIFHQGN-JTQLQIEISA-N 1 0 304.362 1.651 50 0 DDAARO Cc1cc(CC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)[nH]n1 ZINC000089599110 407140864 /nfs/dbraw/zinc/14/08/64/407140864.db2.gz KHHAARXBNYAIRU-CQSZACIVSA-N 1 0 320.437 1.410 50 0 DDAARO Cc1cccc(OCCNC(=O)[C@H](C)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089677736 407143527 /nfs/dbraw/zinc/14/35/27/407143527.db2.gz IQMCAZNUOLWRKX-HOTGVXAUSA-N 1 0 319.449 1.514 50 0 DDAARO O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000089819076 407152543 /nfs/dbraw/zinc/15/25/43/407152543.db2.gz VLQNVYAGJQDCLW-HZPDHXFCSA-N 1 0 319.449 1.332 50 0 DDAARO O=S(=O)(c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000055051853 407193835 /nfs/dbraw/zinc/19/38/35/407193835.db2.gz GGWQYFWIEMNXTJ-GFCCVEGCSA-N 1 0 300.811 1.809 50 0 DDAARO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 ZINC000090883041 407172228 /nfs/dbraw/zinc/17/22/28/407172228.db2.gz YUGKHXKAJXCUDX-LLVKDONJSA-N 1 0 311.403 1.891 50 0 DDAARO CO[C@H]1CCCOC12CCN(c1nc(N)[nH+]c(C)c1C)CC2 ZINC000095362520 407208889 /nfs/dbraw/zinc/20/88/89/407208889.db2.gz CGVSPYCNKKMIPR-ZDUSSCGKSA-N 1 0 306.410 1.840 50 0 DDAARO CCn1c(C)nnc1SCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000095375190 407210822 /nfs/dbraw/zinc/21/08/22/407210822.db2.gz OVLHNVGALXGWTE-LBPRGKRZSA-N 1 0 321.454 1.457 50 0 DDAARO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@H]1CCC[N@H+](C)C1)C2 ZINC000095380738 407211563 /nfs/dbraw/zinc/21/15/63/407211563.db2.gz SJYWDRDTITXZIG-CYBMUJFWSA-N 1 0 318.421 1.053 50 0 DDAARO CC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21)[NH+](C)C ZINC000095441653 407214388 /nfs/dbraw/zinc/21/43/88/407214388.db2.gz XFGFCVPZGHQHRA-HUUCEWRRSA-N 1 0 303.406 1.941 50 0 DDAARO CC(C)(CNC(=O)N1CCCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000095949760 407215710 /nfs/dbraw/zinc/21/57/10/407215710.db2.gz ZEMGYIYDGJHGDF-ZDUSSCGKSA-N 1 0 310.442 1.300 50 0 DDAARO Cc1noc(C)c1C[NH+]1CCC(C(=O)Nc2ncccn2)CC1 ZINC000095952944 407215949 /nfs/dbraw/zinc/21/59/49/407215949.db2.gz BFIXFQVZKYXAKX-UHFFFAOYSA-N 1 0 315.377 1.932 50 0 DDAARO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000095953694 407217215 /nfs/dbraw/zinc/21/72/15/407217215.db2.gz ZACNTTGIJXEJKQ-LBPRGKRZSA-N 1 0 315.381 1.126 50 0 DDAARO O=C(C[N@@H+]1CCC[C@H]1CC1CCCCC1)N1CCNC(=O)C1 ZINC000057871856 407218151 /nfs/dbraw/zinc/21/81/51/407218151.db2.gz XXHGWDUFSGYUPE-HNNXBMFYSA-N 1 0 307.438 1.380 50 0 DDAARO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000096012537 407223672 /nfs/dbraw/zinc/22/36/72/407223672.db2.gz OSJGECGHRRPYQL-UHFFFAOYSA-N 1 0 324.805 1.336 50 0 DDAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000063654413 407234276 /nfs/dbraw/zinc/23/42/76/407234276.db2.gz CQOJLJGRVPVJGL-MRXNPFEDSA-N 1 0 317.433 1.866 50 0 DDAARO Cc1[nH+]c(N2CCCC2)nc(N[C@@H]2CCCCNC2=O)c1C ZINC000063883857 407236738 /nfs/dbraw/zinc/23/67/38/407236738.db2.gz ORARZXYKQRPAPS-CYBMUJFWSA-N 1 0 303.410 1.774 50 0 DDAARO CCc1cc(NCCS(C)(=O)=O)nc(N2CCCCC2)[nH+]1 ZINC000065393863 407242971 /nfs/dbraw/zinc/24/29/71/407242971.db2.gz RVRCIPDZSMEMCQ-UHFFFAOYSA-N 1 0 312.439 1.486 50 0 DDAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCC(F)F)cnn2c1 ZINC000067604207 407277541 /nfs/dbraw/zinc/27/75/41/407277541.db2.gz MDJMMBYOHHRSMK-UHFFFAOYSA-N 1 0 311.336 1.566 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1[nH]c2ccc(F)cc2c1C ZINC000067673887 407279149 /nfs/dbraw/zinc/27/91/49/407279149.db2.gz PZIHJFJSHHTTGI-ABAIWWIYSA-N 1 0 304.369 1.263 50 0 DDAARO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000097096317 407279782 /nfs/dbraw/zinc/27/97/82/407279782.db2.gz BOFKZTMSKKUBGD-HLLBOEOZSA-N 1 0 319.449 1.515 50 0 DDAARO CN(CC(=O)NC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1F ZINC000067948081 407292057 /nfs/dbraw/zinc/29/20/57/407292057.db2.gz BPSJDYGFGSUTPB-CQSZACIVSA-N 1 0 307.413 1.716 50 0 DDAARO O=S(=O)(NCC[C@H]1CCC[N@H+](Cc2ccco2)C1)C1CC1 ZINC000067967900 407292352 /nfs/dbraw/zinc/29/23/52/407292352.db2.gz DEFYLYZQVSYVIV-CYBMUJFWSA-N 1 0 312.435 1.964 50 0 DDAARO CCCC[N@H+](CCO)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000068045848 407294441 /nfs/dbraw/zinc/29/44/41/407294441.db2.gz YXTNWPKZEKPPHK-MRXNPFEDSA-N 1 0 309.406 1.723 50 0 DDAARO CCn1nc([C@@H]2CCOC2)nc1-c1n[nH]c2c1C[N@H+](C)CC2 ZINC000097675489 407301148 /nfs/dbraw/zinc/30/11/48/407301148.db2.gz XCMGPYNAQYOZNM-SNVBAGLBSA-N 1 0 302.382 1.180 50 0 DDAARO C[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@@]12CCNC(=O)CC2 ZINC000107686892 407378584 /nfs/dbraw/zinc/37/85/84/407378584.db2.gz FUVZSSNXHUKAJJ-QGZVFWFLSA-N 1 0 305.397 1.612 50 0 DDAARO C[C@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[C@@H]([NH3+])c1ccccc1 ZINC000195543479 407465132 /nfs/dbraw/zinc/46/51/32/407465132.db2.gz CYUQJCKGOSBDPD-SGMGOOAPSA-N 1 0 312.435 1.214 50 0 DDAARO COc1ccc(Br)c(S(=O)(=O)NCCC[NH3+])c1 ZINC000195544483 407465769 /nfs/dbraw/zinc/46/57/69/407465769.db2.gz SFMRIHYTZYWSAW-UHFFFAOYSA-N 1 0 323.212 1.085 50 0 DDAARO CC[NH+]1C[C@@H]2CCN(C(=O)C(C)C)C[C@]2(c2nc(C)no2)C1 ZINC000257174664 407479967 /nfs/dbraw/zinc/47/99/67/407479967.db2.gz JIMNYIOYBLMGLZ-XJKSGUPXSA-N 1 0 306.410 1.456 50 0 DDAARO CN(C)c1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cn1 ZINC000215915716 407490084 /nfs/dbraw/zinc/49/00/84/407490084.db2.gz CIVPEJOBRAJTIL-UHFFFAOYSA-N 1 0 313.405 1.981 50 0 DDAARO NC(=O)COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000215955757 407490580 /nfs/dbraw/zinc/49/05/80/407490580.db2.gz DVKWQEDNUWALDN-UHFFFAOYSA-N 1 0 318.417 1.943 50 0 DDAARO COc1ccc(CCC(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1 ZINC000257196433 407491970 /nfs/dbraw/zinc/49/19/70/407491970.db2.gz YFKWHAUXCGZZGT-GOEBONIOSA-N 1 0 306.406 1.009 50 0 DDAARO CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000216335059 407496533 /nfs/dbraw/zinc/49/65/33/407496533.db2.gz QEQBVSBDODEAHO-MRXNPFEDSA-N 1 0 303.362 1.672 50 0 DDAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2cnccn2)C1 ZINC000253428466 407447964 /nfs/dbraw/zinc/44/79/64/407447964.db2.gz IWJIQQNJVKVLSK-DLBZAZTESA-N 1 0 310.401 1.623 50 0 DDAARO Cc1cc(NC(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)no1 ZINC000253433563 407452545 /nfs/dbraw/zinc/45/25/45/407452545.db2.gz YKYWLXSSMZPQAJ-QGZVFWFLSA-N 1 0 315.373 1.735 50 0 DDAARO CSc1ccccc1C(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000219067227 407528389 /nfs/dbraw/zinc/52/83/89/407528389.db2.gz FIKFRFGLHXFDEC-STQMWFEESA-N 1 0 305.447 1.527 50 0 DDAARO [NH3+]C1CC(c2cc(NCc3ccc(-n4cncn4)cc3)ncn2)C1 ZINC000220281824 407540163 /nfs/dbraw/zinc/54/01/63/407540163.db2.gz JAZNSFJPSDZJBE-UHFFFAOYSA-N 1 0 321.388 1.874 50 0 DDAARO CC(C)COCC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000225720345 407599504 /nfs/dbraw/zinc/59/95/04/407599504.db2.gz KFKXPNBKYVRINM-CQSZACIVSA-N 1 0 300.468 1.699 50 0 DDAARO O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000229276672 407658072 /nfs/dbraw/zinc/65/80/72/407658072.db2.gz BAFKIFZWPMYDBT-IRXDYDNUSA-N 1 0 324.428 1.979 50 0 DDAARO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000225524472 407594234 /nfs/dbraw/zinc/59/42/34/407594234.db2.gz XWVWQAQTEKQHSW-CYBMUJFWSA-N 1 0 321.421 1.636 50 0 DDAARO c1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c2c(c1)OCCO2 ZINC000236575132 407727688 /nfs/dbraw/zinc/72/76/88/407727688.db2.gz MRVXAEJWBQKUMF-HNNXBMFYSA-N 1 0 304.390 1.411 50 0 DDAARO CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229356631 407661908 /nfs/dbraw/zinc/66/19/08/407661908.db2.gz NEAKLDWKGJDMBG-QLFBSQMISA-N 1 0 321.465 1.767 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@H](C)[NH2+]1 ZINC000153228188 407781418 /nfs/dbraw/zinc/78/14/18/407781418.db2.gz DPWXVWJKRBQXHK-TXEJJXNPSA-N 1 0 302.353 1.834 50 0 DDAARO C[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H](C)[NH2+]1 ZINC000153278499 407792217 /nfs/dbraw/zinc/79/22/17/407792217.db2.gz LOVKEFDNTBSDEX-GHMZBOCLSA-N 1 0 304.350 1.471 50 0 DDAARO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237534061 407825786 /nfs/dbraw/zinc/82/57/86/407825786.db2.gz OIYFOUVHAMNAIK-BYCMXARLSA-N 1 0 324.808 1.617 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@H](C)[NH2+]1 ZINC000153777102 407900001 /nfs/dbraw/zinc/90/00/01/407900001.db2.gz XOFPSCQWUSKGDH-OKILXGFUSA-N 1 0 315.417 1.631 50 0 DDAARO C[C@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC000239807466 407906545 /nfs/dbraw/zinc/90/65/45/407906545.db2.gz CSEANJCHXIBHTN-CABCVRRESA-N 1 0 315.421 1.154 50 0 DDAARO C[C@H](c1cccc(F)c1)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000241231154 407909952 /nfs/dbraw/zinc/90/99/52/407909952.db2.gz KSOCEEMVNSBCAT-IUODEOHRSA-N 1 0 309.385 1.005 50 0 DDAARO CC[C@@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000241693845 407913791 /nfs/dbraw/zinc/91/37/91/407913791.db2.gz QIECSTOMCMDVLK-APHBMKBZSA-N 1 0 323.412 1.129 50 0 DDAARO CN(C)c1nc([C@H]2C[C@@H]([NH3+])C2)cc(N(C)Cc2cnn(C)c2)n1 ZINC000243932249 407924945 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185191147 /nfs/dbraw/zinc/19/11/47/185191147.db2.gz DMHBQCNFXPDMBW-SFYZADRCSA-N 1 0 305.197 1.227 50 0 DDAARO Cc1noc2ncnc(N3CCCC[C@H]3CN3CCOCC3)c12 ZINC000193395062 539261297 /nfs/dbraw/zinc/26/12/97/539261297.db2.gz VEDDJPOTFNWJFF-ZDUSSCGKSA-N 1 0 317.393 1.617 50 0 DDAARO Cc1cc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)cc(C)[nH+]1 ZINC000223385429 539265853 /nfs/dbraw/zinc/26/58/53/539265853.db2.gz LJLGSXSPNMEDSC-QGZVFWFLSA-N 1 0 303.406 1.916 50 0 DDAARO COCCN1CCC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088716268 185263153 /nfs/dbraw/zinc/26/31/53/185263153.db2.gz IMLSAMCKOOCULS-QWHCGFSZSA-N 1 0 309.376 1.323 50 0 DDAARO Cc1cc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)on1 ZINC000082137246 192360980 /nfs/dbraw/zinc/36/09/80/192360980.db2.gz RFKAETYCXBPURR-GFCCVEGCSA-N 1 0 318.381 1.037 50 0 DDAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC(=O)NCC(F)(F)F ZINC000095421088 185360561 /nfs/dbraw/zinc/36/05/61/185360561.db2.gz REMQESCSZFJGTO-LLVKDONJSA-N 1 0 323.359 1.436 50 0 DDAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299753303 529993661 /nfs/dbraw/zinc/99/36/61/529993661.db2.gz XTBSZXAMXUCSAC-NEPJUHHUSA-N 1 0 302.296 1.387 50 0 DDAARO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000685944866 539567385 /nfs/dbraw/zinc/56/73/85/539567385.db2.gz DYUIFTBREWSSJF-LSDHHAIUSA-N 1 0 322.453 1.125 50 0 DDAARO COCC[C@@H](C[NH+]1CC(COC)C1)NC(=O)OC(C)(C)C ZINC000685943400 539567493 /nfs/dbraw/zinc/56/74/93/539567493.db2.gz LVORDKZRPJPXAZ-ZDUSSCGKSA-N 1 0 302.415 1.494 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCOC2)cc1Cl ZINC000072138774 191047675 /nfs/dbraw/zinc/04/76/75/191047675.db2.gz ASVDKNKRVHFEJU-LLVKDONJSA-N 1 0 318.826 1.163 50 0 DDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCc2ccccc2)C1 ZINC000072133193 191044348 /nfs/dbraw/zinc/04/43/48/191044348.db2.gz FMJOEBCFTKTXIY-SFHVURJKSA-N 1 0 304.434 1.924 50 0 DDAARO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2nsnc21 ZINC000225582751 186279793 /nfs/dbraw/zinc/27/97/93/186279793.db2.gz ZJBHMXOURSMCDM-VIFPVBQESA-N 1 0 314.436 1.310 50 0 DDAARO CN(C)c1ccc(CN2CCC([NH+]3CCC(O)CC3)CC2)cn1 ZINC000072429686 191162213 /nfs/dbraw/zinc/16/22/13/191162213.db2.gz CIBQMXCLNDBNPY-UHFFFAOYSA-N 1 0 318.465 1.569 50 0 DDAARO CS(=O)(=O)c1cnc(NC2CCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072456946 191173426 /nfs/dbraw/zinc/17/34/26/191173426.db2.gz WVPDMYLPQJHKPS-JTQLQIEISA-N 1 0 310.423 1.312 50 0 DDAARO Cc1nc2c(c(N3CC(OCc4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072481138 191181844 /nfs/dbraw/zinc/18/18/44/191181844.db2.gz XGICFKQRSMUHEN-UHFFFAOYSA-N 1 0 324.428 1.879 50 0 DDAARO Cc1noc(C)c1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072478286 191179617 /nfs/dbraw/zinc/17/96/17/191179617.db2.gz MDFPPBITHLIHAT-UHFFFAOYSA-N 1 0 300.362 1.571 50 0 DDAARO CCCc1nnc([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CCO2)[nH]1 ZINC000076046646 353393415 /nfs/dbraw/zinc/39/34/15/353393415.db2.gz FTCSYVVSVPMWBX-QWHCGFSZSA-N 1 0 321.425 1.141 50 0 DDAARO CCn1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1C(F)(F)F ZINC000076051737 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CC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000084714975 353726847 /nfs/dbraw/zinc/72/68/47/353726847.db2.gz QCFJMSHAUBIYRE-GXTWGEPZSA-N 1 0 300.406 1.920 50 0 DDAARO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000137102844 354118328 /nfs/dbraw/zinc/11/83/28/354118328.db2.gz MHSDXHURANOMDH-GHMZBOCLSA-N 1 0 316.835 1.989 50 0 DDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000257366058 354389220 /nfs/dbraw/zinc/38/92/20/354389220.db2.gz HTNIZTDCVTXGBT-CRAIPNDOSA-N 1 0 301.434 1.671 50 0 DDAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@H]2C)CC1 ZINC000299754233 354457252 /nfs/dbraw/zinc/45/72/52/354457252.db2.gz BFZXORIPESDPIG-BPQIPLTHSA-N 1 0 305.466 1.970 50 0 DDAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)CCC)CC2)CC1 ZINC000004703373 181139618 /nfs/dbraw/zinc/13/96/18/181139618.db2.gz BQYIEIXEDWJDCY-UHFFFAOYSA-N 1 0 317.499 1.218 50 0 DDAARO C[C@H]1CCN(S(=O)(=O)CCN(C)C)[C@@H](c2ccco2)C1 ZINC000390834412 354642954 /nfs/dbraw/zinc/64/29/54/354642954.db2.gz 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[NH3+][C@H]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000237923535 202391461 /nfs/dbraw/zinc/39/14/61/202391461.db2.gz BIXGAZCWLRNPEA-VIFPVBQESA-N 1 0 301.159 1.690 50 0 DDAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000006529470 181351147 /nfs/dbraw/zinc/35/11/47/181351147.db2.gz SJBZDXHHFOXXEV-QGZVFWFLSA-N 1 0 301.386 1.921 50 0 DDAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2F)C1 ZINC000091426705 193054369 /nfs/dbraw/zinc/05/43/69/193054369.db2.gz MBCBQOSIONVDKE-CQSZACIVSA-N 1 0 321.396 1.072 50 0 DDAARO Cc1ccc2[nH]c(C[NH2+]CCCN3CCCC3=O)cc(=O)c2c1 ZINC000092077866 193154158 /nfs/dbraw/zinc/15/41/58/193154158.db2.gz UHANDXVZRWBILR-UHFFFAOYSA-N 1 0 313.401 1.939 50 0 DDAARO COc1ccccc1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000219385329 201556615 /nfs/dbraw/zinc/55/66/15/201556615.db2.gz HEFYIJYWXXCPLN-HOTGVXAUSA-N 1 0 318.417 1.607 50 0 DDAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000096486801 193667499 /nfs/dbraw/zinc/66/74/99/193667499.db2.gz 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Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502585 183416083 /nfs/dbraw/zinc/41/60/83/183416083.db2.gz ZBOVMTDACONUJQ-LLVKDONJSA-N 1 0 302.827 1.926 50 0 DDAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2C)ncn1 ZINC000105904825 194166236 /nfs/dbraw/zinc/16/62/36/194166236.db2.gz DVDVWXZLSIUWAR-ZDUSSCGKSA-N 1 0 301.398 1.308 50 0 DDAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000050246617 183778860 /nfs/dbraw/zinc/77/88/60/183778860.db2.gz KAYSFTNNLMWKPP-QMMMGPOBSA-N 1 0 309.218 1.963 50 0 DDAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000110641804 194344870 /nfs/dbraw/zinc/34/48/70/194344870.db2.gz HXLZXHICWONKKR-NEPJUHHUSA-N 1 0 308.344 1.946 50 0 DDAARO Cc1ccc(C)n1-c1c(C(=O)NC[C@@H](C)[NH+](C)C)cnn1C ZINC000056969291 184023171 /nfs/dbraw/zinc/02/31/71/184023171.db2.gz PJSJLEUKSNVYRG-CYBMUJFWSA-N 1 0 303.410 1.508 50 0 DDAARO Cn1nccc1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000058292609 184101309 /nfs/dbraw/zinc/10/13/09/184101309.db2.gz 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C[C@H]([C@H](C)[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)n1cccn1 ZINC000229895926 299607749 /nfs/dbraw/zinc/60/77/49/299607749.db2.gz XKEKHOJNANJCMV-XUWVNRHRSA-N 1 0 320.437 1.592 50 0 DDAARO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC2(CCCCC2)CC1 ZINC000061820907 286598566 /nfs/dbraw/zinc/59/85/66/286598566.db2.gz PUOUVJDWCVHUPP-ZDUSSCGKSA-N 1 0 316.467 1.321 50 0 DDAARO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000069350203 406700155 /nfs/dbraw/zinc/70/01/55/406700155.db2.gz BKMWJLKCRJKFRO-INIZCTEOSA-N 1 0 303.406 1.384 50 0 DDAARO Cc1ccc(C)c(NC(=O)CSc2nnc(CC[NH3+])o2)c1 ZINC000005112101 406732675 /nfs/dbraw/zinc/73/26/75/406732675.db2.gz GDEXMMRHMCSHHG-UHFFFAOYSA-N 1 0 306.391 1.918 50 0 DDAARO Cc1cccc(C2(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)CC2)c1 ZINC000069777143 406771601 /nfs/dbraw/zinc/77/16/01/406771601.db2.gz ZRFAMXPJKOUNJS-MRXNPFEDSA-N 1 0 315.461 1.779 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000006844639 406740988 /nfs/dbraw/zinc/74/09/88/406740988.db2.gz 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Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc3c(c2)OCCO3)c1 ZINC000071872134 406858306 /nfs/dbraw/zinc/85/83/06/406858306.db2.gz ZVLORNPOMVBMSX-CQSZACIVSA-N 1 0 303.362 1.286 50 0 DDAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000071872084 406858434 /nfs/dbraw/zinc/85/84/34/406858434.db2.gz KICKHXDQVYMMPL-UHFFFAOYSA-N 1 0 311.389 1.418 50 0 DDAARO C[NH+](C)C1(CNc2ncc(Br)cn2)CCOCC1 ZINC000071905262 406865752 /nfs/dbraw/zinc/86/57/52/406865752.db2.gz AUWOBMIACWQCQW-UHFFFAOYSA-N 1 0 315.215 1.762 50 0 DDAARO Cc1ccc(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000072269212 406876041 /nfs/dbraw/zinc/87/60/41/406876041.db2.gz SZZQVIIYMBVWPI-IAGOWNOFSA-N 1 0 302.418 1.975 50 0 DDAARO CC(C)CNC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000014745537 406876517 /nfs/dbraw/zinc/87/65/17/406876517.db2.gz NVAWMNCXECAHQU-QWHCGFSZSA-N 1 0 321.396 1.762 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014981606 406879004 /nfs/dbraw/zinc/87/90/04/406879004.db2.gz GAZDEMNOTCDXCK-HNNXBMFYSA-N 1 0 314.393 1.721 50 0 DDAARO Cn1ncc(N2CCC(C[NH2+][C@@H]3CCSC3)CC2)cc1=O ZINC000023505977 406891707 /nfs/dbraw/zinc/89/17/07/406891707.db2.gz HMTIKNOSSRLHNC-CYBMUJFWSA-N 1 0 308.451 1.092 50 0 DDAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000036297194 406978201 /nfs/dbraw/zinc/97/82/01/406978201.db2.gz IGRNYKDDKIAGBC-VIFPVBQESA-N 1 0 324.324 1.697 50 0 DDAARO Nc1nccnc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027607403 406912687 /nfs/dbraw/zinc/91/26/87/406912687.db2.gz VHHZMDJCTROOLI-NSHDSACASA-N 1 0 317.418 1.687 50 0 DDAARO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825529 406927893 /nfs/dbraw/zinc/92/78/93/406927893.db2.gz RZIARNRGIIZAGL-WDEREUQCSA-N 1 0 316.361 1.591 50 0 DDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(=O)[nH]n1 ZINC000029837584 406927911 /nfs/dbraw/zinc/92/79/11/406927911.db2.gz UBHQCFKMAZXGKL-UHFFFAOYSA-N 1 0 312.373 1.360 50 0 DDAARO Cc1ccc(C)c(OCCCON2C(=N)NC(=[NH2+])NC2(C)C)c1 ZINC000075273005 406928955 /nfs/dbraw/zinc/92/89/55/406928955.db2.gz CMOMHIRMXCANBQ-UHFFFAOYSA-N 1 0 319.409 1.685 50 0 DDAARO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000075900690 406945554 /nfs/dbraw/zinc/94/55/54/406945554.db2.gz RVTYUYUWMDHXRW-BXUZGUMPSA-N 1 0 305.353 1.760 50 0 DDAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1nc(C)no1 ZINC000032617160 406950226 /nfs/dbraw/zinc/95/02/26/406950226.db2.gz VQHRSHCYUGJRFO-UHFFFAOYSA-N 1 0 320.393 1.617 50 0 DDAARO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@@H]1[NH+](C)C ZINC000076056019 406952442 /nfs/dbraw/zinc/95/24/42/406952442.db2.gz ZUQPVHFPJQHDLO-BONVTDFDSA-N 1 0 317.364 1.689 50 0 DDAARO Cc1ccsc1C[N@H+](C)CCn1nc2ccccn2c1=O ZINC000032804009 406953653 /nfs/dbraw/zinc/95/36/53/406953653.db2.gz OBNIMNMGZWEIHS-UHFFFAOYSA-N 1 0 302.403 1.998 50 0 DDAARO C[C@H]1C[N@H+](CCC(=O)N2CCOCC2)[C@H](c2ccccc2)CO1 ZINC000076089752 406955145 /nfs/dbraw/zinc/95/51/45/406955145.db2.gz XZQWAYXZGQUZIC-RDJZCZTQSA-N 1 0 318.417 1.697 50 0 DDAARO COc1ccc(OC)c2c1CN(c1cc(C)[nH+]c(N)n1)C[C@@H]2O ZINC000043533521 407019189 /nfs/dbraw/zinc/01/91/89/407019189.db2.gz XIBVFGDTKFWZNT-NSHDSACASA-N 1 0 316.361 1.438 50 0 DDAARO C[C@@H](C1CCN(C(=O)c2ccncc2)CC1)[NH+]1CCN(C)CC1 ZINC000077286386 406983538 /nfs/dbraw/zinc/98/35/38/406983538.db2.gz OIPFVXBMALCXCS-HNNXBMFYSA-N 1 0 316.449 1.570 50 0 DDAARO C[N@@H+]1CCC[C@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124056 407005455 /nfs/dbraw/zinc/00/54/55/407005455.db2.gz FVYUNFXANZJKHN-GOSISDBHSA-N 1 0 321.440 1.400 50 0 DDAARO COc1cccc(NC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000046750607 407063280 /nfs/dbraw/zinc/06/32/80/407063280.db2.gz MBMKROMOZRZCCO-UHFFFAOYSA-N 1 0 307.394 1.929 50 0 DDAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000050246613 407129420 /nfs/dbraw/zinc/12/94/20/407129420.db2.gz FNWDZIBZRXXAJB-VIFPVBQESA-N 1 0 319.224 1.418 50 0 DDAARO Cc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)NC(N)=O)C2)cc1 ZINC000051063819 407133800 /nfs/dbraw/zinc/13/38/00/407133800.db2.gz NJUMZEGFZKOAHI-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/16/87/73/407168773.db2.gz YIZYMFGTNWHYCO-UHFFFAOYSA-N 1 0 309.435 1.991 50 0 DDAARO CC(C)Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCCC2)on1 ZINC000091914666 407184769 /nfs/dbraw/zinc/18/47/69/407184769.db2.gz SHRNDEBHEUMZOD-OAHLLOKOSA-N 1 0 323.437 1.840 50 0 DDAARO COc1ccsc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096407857 407260688 /nfs/dbraw/zinc/26/06/88/407260688.db2.gz JGKFUUXOIAALAF-LBPRGKRZSA-N 1 0 312.435 1.579 50 0 DDAARO C[N@@H+]1CCC[C@@H](C(=O)N(C/C=C/c2ccccc2)CCO)C1 ZINC000055271527 407199364 /nfs/dbraw/zinc/19/93/64/407199364.db2.gz KPPWWAIVRMVAPM-HFTQHKIXSA-N 1 0 302.418 1.863 50 0 DDAARO O=C(NCCN1CCOC1=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095359679 407209149 /nfs/dbraw/zinc/20/91/49/407209149.db2.gz WZIBDFQAOMJXNH-ZDUSSCGKSA-N 1 0 321.377 1.060 50 0 DDAARO O=C(NCCc1cnccn1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095360687 407209191 /nfs/dbraw/zinc/20/91/91/407209191.db2.gz REWJHLCDOLYWLQ-INIZCTEOSA-N 1 0 310.401 1.916 50 0 DDAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(Cn2ccnc2)CC1 ZINC000095369072 407210053 /nfs/dbraw/zinc/21/00/53/407210053.db2.gz LWZWFQHQIBIZBL-OAHLLOKOSA-N 1 0 320.437 1.111 50 0 DDAARO CCc1[nH+]c(N)nc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000095365877 407210274 /nfs/dbraw/zinc/21/02/74/407210274.db2.gz OUWQXLBAKLXPBC-OAHLLOKOSA-N 1 0 305.382 1.351 50 0 DDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000095426505 407212997 /nfs/dbraw/zinc/21/29/97/407212997.db2.gz ZJWLNYXPPQQZRB-CVEARBPZSA-N 1 0 315.417 1.170 50 0 DDAARO CC[NH+]1CCC(NC(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000095949476 407215734 /nfs/dbraw/zinc/21/57/34/407215734.db2.gz DQCJMTRWACEQNJ-UHFFFAOYSA-N 1 0 307.442 1.363 50 0 DDAARO Cn1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1=O ZINC000095954096 407217074 /nfs/dbraw/zinc/21/70/74/407217074.db2.gz ZPPYEBUHIDXFEH-INIZCTEOSA-N 1 0 313.401 1.288 50 0 DDAARO CSC[C@](C)(O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000096414663 407262029 /nfs/dbraw/zinc/26/20/29/407262029.db2.gz FVAZNKQWGONCOP-DZGCQCFKSA-N 1 0 302.484 1.727 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ccccn2c1=O ZINC000058341878 407220440 /nfs/dbraw/zinc/22/04/40/407220440.db2.gz CSWDGTKAKLVBIM-ZIAGYGMSSA-N 1 0 312.373 1.051 50 0 DDAARO Cc1ccsc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000058370732 407220799 /nfs/dbraw/zinc/22/07/99/407220799.db2.gz LFVCENCZKJKUMX-LBPRGKRZSA-N 1 0 309.435 1.374 50 0 DDAARO Cc1cnc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000095985763 407220859 /nfs/dbraw/zinc/22/08/59/407220859.db2.gz PFYCIIOVYAEANW-UHFFFAOYSA-N 1 0 324.450 1.815 50 0 DDAARO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000095985488 407221310 /nfs/dbraw/zinc/22/13/10/407221310.db2.gz BSPCJQOMTWBGKG-JKSUJKDBSA-N 1 0 324.396 1.332 50 0 DDAARO C[NH+](C)CCCOc1ccc(-c2cc(C(N)=O)ccn2)cn1 ZINC000096148431 407240644 /nfs/dbraw/zinc/24/06/44/407240644.db2.gz XXDBWVBKMPVFFO-UHFFFAOYSA-N 1 0 300.362 1.573 50 0 DDAARO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[NH+](C)C)C3)cc1 ZINC000096162390 407242367 /nfs/dbraw/zinc/24/23/67/407242367.db2.gz XDAAZLUXXZSZOD-UHFFFAOYSA-N 1 0 314.389 1.532 50 0 DDAARO CC[C@H](CNc1ncc(C)c(N(C)C)n1)[NH+]1CCN(C)CC1 ZINC000065468452 407242750 /nfs/dbraw/zinc/24/27/50/407242750.db2.gz KCGSRJQJAQGRID-CQSZACIVSA-N 1 0 306.458 1.289 50 0 DDAARO O=C1CCCN1CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424444 407264196 /nfs/dbraw/zinc/26/41/96/407264196.db2.gz XGIKRDRSXUBYLH-MRXNPFEDSA-N 1 0 306.381 1.946 50 0 DDAARO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000096426437 407264293 /nfs/dbraw/zinc/26/42/93/407264293.db2.gz MCQMLACKILBOKH-HNNXBMFYSA-N 1 0 316.380 1.764 50 0 DDAARO Cn1cc(C[N@H+](C)CCN2CCOC2=O)c(-c2ccccc2)n1 ZINC000097034024 407275721 /nfs/dbraw/zinc/27/57/21/407275721.db2.gz IAPPALCQFDGBRM-UHFFFAOYSA-N 1 0 314.389 1.971 50 0 DDAARO COc1ccc(C)c(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097076733 407278019 /nfs/dbraw/zinc/27/80/19/407278019.db2.gz NIZCJCUCRKSODR-CQSZACIVSA-N 1 0 318.421 1.515 50 0 DDAARO Cc1cccn2c(CC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cnc12 ZINC000067677225 407279223 /nfs/dbraw/zinc/27/92/23/407279223.db2.gz WDHDWRVRPRGVIM-GOSISDBHSA-N 1 0 312.417 1.787 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000097159757 407284125 /nfs/dbraw/zinc/28/41/25/407284125.db2.gz HTOUTLFXBGENQF-AWEZNQCLSA-N 1 0 317.389 1.422 50 0 DDAARO O=C(Nc1ccnn1CC1=CCC[N@@H+](CCO)C1)c1ccco1 ZINC000067789503 407284720 /nfs/dbraw/zinc/28/47/20/407284720.db2.gz JANBLSCOZSJAJC-UHFFFAOYSA-N 1 0 316.361 1.353 50 0 DDAARO CC(C)Cc1cc(CNc2nc(N)nc3c2CC[NH2+]C3)no1 ZINC000067784267 407284786 /nfs/dbraw/zinc/28/47/86/407284786.db2.gz KOGOWHAGNYWMRL-UHFFFAOYSA-N 1 0 302.382 1.503 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1ccc(C)c(C)c1 ZINC000067855929 407287544 /nfs/dbraw/zinc/28/75/44/407287544.db2.gz RAACQVNOSLAPBR-HOTGVXAUSA-N 1 0 317.433 1.300 50 0 DDAARO C[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000097234162 407289269 /nfs/dbraw/zinc/28/92/69/407289269.db2.gz 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O=C(CC[NH2+]Cc1c(Cl)nc2ccccn21)N1CCOCC1 ZINC000065500992 184355770 /nfs/dbraw/zinc/35/57/70/184355770.db2.gz JFNBKBXFHZGIQK-UHFFFAOYSA-N 1 0 322.796 1.326 50 0 DDAARO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000065615060 184374485 /nfs/dbraw/zinc/37/44/85/184374485.db2.gz QYGBFZVLWOUUCZ-MRXNPFEDSA-N 1 0 316.405 1.506 50 0 DDAARO CC(C)C(=O)Nc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000066214174 184397194 /nfs/dbraw/zinc/39/71/94/184397194.db2.gz PXCPCNBIDJBQAF-HNNXBMFYSA-N 1 0 319.405 1.988 50 0 DDAARO CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(OCC[NH3+])c1)C2 ZINC000426722656 533306650 /nfs/dbraw/zinc/30/66/50/533306650.db2.gz PWZBKPJNVZNSEL-FOLVSLTJSA-N 1 0 304.390 1.521 50 0 DDAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000002760457 406697679 /nfs/dbraw/zinc/69/76/79/406697679.db2.gz DJNNHXMBVYIAHY-UHFFFAOYSA-N 1 0 303.406 1.829 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](c1nccn1C)C(C)C)CN2 ZINC000069348583 406697584 /nfs/dbraw/zinc/69/75/84/406697584.db2.gz 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CCC[N@@H+]1CCC[C@H](Nc2cc(N3CCOCC3)nc(N)n2)C1 ZINC000065507836 407244478 /nfs/dbraw/zinc/24/44/78/407244478.db2.gz HJZGPKZUMZIYJN-ZDUSSCGKSA-N 1 0 320.441 1.182 50 0 DDAARO CC1CC[NH+](C[C@H]2CCCN(CCCS(N)(=O)=O)C2)CC1 ZINC000096424241 407264032 /nfs/dbraw/zinc/26/40/32/407264032.db2.gz IXZBVKNJEMJMPH-HNNXBMFYSA-N 1 0 317.499 1.109 50 0 DDAARO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096499711 407273204 /nfs/dbraw/zinc/27/32/04/407273204.db2.gz WEUTWINYIHZPFI-DZKIICNBSA-N 1 0 309.454 1.663 50 0 DDAARO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)O)CC[N@@H+]2C2CC2)c1 ZINC000097047608 407277228 /nfs/dbraw/zinc/27/72/28/407277228.db2.gz MPKMOVVNANYCPP-XFBWCDHKSA-N 1 0 304.390 1.470 50 0 DDAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccncn2)C1 ZINC000067742043 407282051 /nfs/dbraw/zinc/28/20/51/407282051.db2.gz TZHUONBBBTXJAA-ZDUSSCGKSA-N 1 0 314.393 1.150 50 0 DDAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000097139241 407282419 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CC[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000091406192 280952576 /nfs/dbraw/zinc/95/25/76/280952576.db2.gz ACIDUQILQXCSBI-CQDKDKBSSA-N 1 0 312.435 1.942 50 0 DDAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)NC(N)=O ZINC000088562436 281159750 /nfs/dbraw/zinc/15/97/50/281159750.db2.gz VPLOMWIKATZBNC-ZDUSSCGKSA-N 1 0 304.394 1.302 50 0 DDAARO CC1CC[NH+](C[C@@H](O)COc2ccc(-n3cncn3)cc2)CC1 ZINC000095439063 281820759 /nfs/dbraw/zinc/82/07/59/281820759.db2.gz XLYMXWYNJSUTFQ-MRXNPFEDSA-N 1 0 316.405 1.739 50 0 DDAARO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070887597 290178476 /nfs/dbraw/zinc/17/84/76/290178476.db2.gz ZAXQFDRQXWRIAI-GOEBONIOSA-N 1 0 310.438 1.657 50 0 DDAARO COc1ccc(Cn2ncc(C)c2NC(=O)[C@@H](C)[NH3+])cc1OC ZINC000170673720 295147380 /nfs/dbraw/zinc/14/73/80/295147380.db2.gz DXODRXCANPQIEN-LLVKDONJSA-N 1 0 318.377 1.543 50 0 DDAARO [NH3+]C[C@@H]1CCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000178581930 295257750 /nfs/dbraw/zinc/25/77/50/295257750.db2.gz 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337362474 /nfs/dbraw/zinc/36/24/74/337362474.db2.gz FEHYTNKPHWDLTC-CYBMUJFWSA-N 1 0 321.490 1.993 50 0 DDAARO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)NC1CCOCC1 ZINC000076758595 483960248 /nfs/dbraw/zinc/96/02/48/483960248.db2.gz YGYIZMCXSMGVBF-INIZCTEOSA-N 1 0 303.406 1.468 50 0 DDAARO CCn1cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(CC)c2)cn1 ZINC000083843575 483984198 /nfs/dbraw/zinc/98/41/98/483984198.db2.gz SFTPADMLYPDJIL-HOCLYGCPSA-N 1 0 303.410 1.987 50 0 DDAARO C[N@H+](CCNC(=O)NCCC(=O)N1CCCC1)C1CCCC1 ZINC000083860928 483984407 /nfs/dbraw/zinc/98/44/07/483984407.db2.gz VJLPTTSPOWHSJX-UHFFFAOYSA-N 1 0 310.442 1.173 50 0 DDAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)C(=O)N2CCCC2)cn1 ZINC000083843405 483984869 /nfs/dbraw/zinc/98/48/69/483984869.db2.gz IIZNWQKOZLYTRN-OFQRWUPVSA-N 1 0 320.437 1.581 50 0 DDAARO CCNC(=O)N1CCC([NH2+]C2CSCCSC2)CC1 ZINC000670447860 484836042 /nfs/dbraw/zinc/83/60/42/484836042.db2.gz WKILXFZCWSASCY-UHFFFAOYSA-N 1 0 303.497 1.619 50 0 DDAARO 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706043794 /nfs/dbraw/zinc/04/37/94/706043794.db2.gz JKAKPJGHLSHBTH-KRWDZBQOSA-N 1 0 313.357 1.991 50 0 DDAARO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(C)(C)CO)CC2)C1 ZINC000887268058 709002543 /nfs/dbraw/zinc/00/25/43/709002543.db2.gz AWFIJLZBSSECJK-HNNXBMFYSA-N 1 0 311.470 1.024 50 0 DDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)n1 ZINC000952968984 721529554 /nfs/dbraw/zinc/52/95/54/721529554.db2.gz QYCHWPINAJCXMJ-GFCCVEGCSA-N 1 0 322.434 1.326 50 0 DDAARO CCCN1C[C@@H]([NH2+]Cc2cnc(N3CCCCC3)nc2)CC1=O ZINC000952976828 721530680 /nfs/dbraw/zinc/53/06/80/721530680.db2.gz IILXVESRAVNPKH-HNNXBMFYSA-N 1 0 317.437 1.567 50 0 DDAARO CCc1nn(C)c(Cl)c1CNCC[N@@H+]1CCCC[C@H]1CO ZINC000952984807 721532414 /nfs/dbraw/zinc/53/24/14/721532414.db2.gz NHBQUYSIKKIXBY-LBPRGKRZSA-N 1 0 314.861 1.572 50 0 DDAARO Cc1ncc(C[NH2+]CCn2cc(Br)cn2)c(C)n1 ZINC000952995328 721534660 /nfs/dbraw/zinc/53/46/60/721534660.db2.gz IUDWYUFPZBTWQW-UHFFFAOYSA-N 1 0 310.199 1.842 50 0 DDAARO 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300.410 2.257 50 0 DDAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)CCCN3CCCCC3=O)C[C@H]12 ZINC000952874008 775621776 /nfs/dbraw/zinc/62/17/76/775621776.db2.gz SRRUNBNSPNHBNT-QKDCVEJESA-N 1 0 307.438 1.045 50 0 DDAARO Cn1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C(F)(F)F)n2)n1 ZINC000952881427 775637214 /nfs/dbraw/zinc/63/72/14/775637214.db2.gz HDGAKENSXXDKKO-HTQZYQBOSA-N 1 0 301.272 1.678 50 0 DDAARO O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc(Cl)ccc1Br ZINC000699973381 779768586 /nfs/dbraw/zinc/76/85/86/779768586.db2.gz ODWUKIYKPCTLLV-VHSXEESVSA-N 1 0 319.586 1.165 50 0 DDAARO Cc1nc(NC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)nn1C ZINC000048081001 862941087 /nfs/dbraw/zinc/94/10/87/862941087.db2.gz DAGZJXQWLIQQFU-UHFFFAOYSA-N 1 0 320.441 1.996 50 0 DDAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000409420377 878183447 /nfs/dbraw/zinc/18/34/47/878183447.db2.gz KMZVJJUPZWSSAS-MRXNPFEDSA-N 1 0 306.406 1.604 50 0 DDAARO CN1C(=O)CC[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000057355462 282086968 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CCCOc1cccc(CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089960341 185272140 /nfs/dbraw/zinc/27/21/40/185272140.db2.gz DIQWFUOADRIVNU-HNNXBMFYSA-N 1 0 319.449 1.728 50 0 DDAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc[nH+]1 ZINC000082097974 192354844 /nfs/dbraw/zinc/35/48/44/192354844.db2.gz HRCKGDLMDQXQNI-KRWDZBQOSA-N 1 0 303.406 1.591 50 0 DDAARO CC[C@H](O)CSc1nnc(CC[NH3+])n1-c1ccccc1F ZINC000426537488 529709697 /nfs/dbraw/zinc/70/96/97/529709697.db2.gz MKFSGUZYASOCPQ-JTQLQIEISA-N 1 0 310.398 1.771 50 0 DDAARO CCC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000095395166 185352302 /nfs/dbraw/zinc/35/23/02/185352302.db2.gz HBUVVKZDTONMAD-BZUAXINKSA-N 1 0 310.486 1.890 50 0 DDAARO COc1cncc(N2CCN(CC[NH+]3CCC(C)CC3)CC2)n1 ZINC000095426437 185361842 /nfs/dbraw/zinc/36/18/42/185361842.db2.gz VEZLCTPMEBQRMS-UHFFFAOYSA-N 1 0 319.453 1.339 50 0 DDAARO [NH3+]CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000095432008 185363444 /nfs/dbraw/zinc/36/34/44/185363444.db2.gz SRUMPWHUQNJLOI-UHFFFAOYSA-N 1 0 307.213 1.217 50 0 DDAARO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000095421712 185360911 /nfs/dbraw/zinc/36/09/11/185360911.db2.gz HWAKGGONBLQIDK-NWDGAFQWSA-N 1 0 322.434 1.740 50 0 DDAARO [NH3+]C1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)Cc2ccccc2C1 ZINC000097019781 185398293 /nfs/dbraw/zinc/39/82/93/185398293.db2.gz JNBGRMJMRZQCBG-UHFFFAOYSA-N 1 0 309.325 1.556 50 0 DDAARO OCC[C@]1(C[NH2+]C2CCN(c3nccs3)CC2)CCOC1 ZINC000097081084 185406736 /nfs/dbraw/zinc/40/67/36/185406736.db2.gz HFDWTGYJRPLKGF-OAHLLOKOSA-N 1 0 311.451 1.491 50 0 DDAARO CNC(=O)[C@@H](NC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000426484938 529896839 /nfs/dbraw/zinc/89/68/39/529896839.db2.gz XWDNCXPTPPQMFD-HNNXBMFYSA-N 1 0 318.421 1.259 50 0 DDAARO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000097164565 185418375 /nfs/dbraw/zinc/41/83/75/185418375.db2.gz DAQNYJMNDHMDQK-MRVPVSSYSA-N 1 0 305.304 1.957 50 0 DDAARO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1ccon1)C2 ZINC000685942137 539566282 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C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000237467389 186293882 /nfs/dbraw/zinc/29/38/82/186293882.db2.gz JFVLGMUNVRMAMX-VIFPVBQESA-N 1 0 310.785 1.289 50 0 DDAARO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)NCc1ccco1 ZINC000253394407 186304263 /nfs/dbraw/zinc/30/42/63/186304263.db2.gz FFQQGACQTWCPKW-FVQBIDKESA-N 1 0 304.390 1.833 50 0 DDAARO Nc1ccsc1C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072420999 191158628 /nfs/dbraw/zinc/15/86/28/191158628.db2.gz ZXGFHRJMPCUHMQ-UHFFFAOYSA-N 1 0 309.435 1.392 50 0 DDAARO COC(=O)CC1([NH2+]C[C@H](C)CC(C)C)CCS(=O)(=O)CC1 ZINC000337206424 290975994 /nfs/dbraw/zinc/97/59/94/290975994.db2.gz MLVNEVRSMFWQPL-CYBMUJFWSA-N 1 0 319.467 1.769 50 0 DDAARO CCc1nc(CN2CCC[C@H]([NH2+]Cc3c(C)noc3C)C2)no1 ZINC000069560212 353167679 /nfs/dbraw/zinc/16/76/79/353167679.db2.gz YALFBSAQGUGJFZ-ZDUSSCGKSA-N 1 0 319.409 1.991 50 0 DDAARO Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300713 353197144 /nfs/dbraw/zinc/19/71/44/353197144.db2.gz OVCAPQVPRJVZPO-RHSMWYFYSA-N 1 0 301.390 1.805 50 0 DDAARO Cc1ncc(C[N@H+]2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)s1 ZINC000076058905 353395813 /nfs/dbraw/zinc/39/58/13/353395813.db2.gz VUBUYSPZSYMVNT-IAQYHMDHSA-N 1 0 322.434 1.604 50 0 DDAARO Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)s1 ZINC000076059239 353395836 /nfs/dbraw/zinc/39/58/36/353395836.db2.gz VASKMOXHNWOPJF-QMTHXVAHSA-N 1 0 308.407 1.262 50 0 DDAARO COc1ccc(F)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078436205 353516316 /nfs/dbraw/zinc/51/63/16/353516316.db2.gz KCEYYFZGTHLAPU-AWEZNQCLSA-N 1 0 308.397 1.988 50 0 DDAARO CC(C)N1C(=O)N[C@@]2(CC[N@@H+]([C@@H](C)c3ccncc3)C2)C1=O ZINC000084597297 353724464 /nfs/dbraw/zinc/72/44/64/353724464.db2.gz LIPRNFWYMRHJPE-BLLLJJGKSA-N 1 0 302.378 1.547 50 0 DDAARO CN(C)c1cc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)ccn1 ZINC000189671565 354285019 /nfs/dbraw/zinc/28/50/19/354285019.db2.gz GJJYNRIVPHYRDH-UHFFFAOYSA-N 1 0 319.453 1.773 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)sc1C ZINC000253369416 354386683 /nfs/dbraw/zinc/38/66/83/354386683.db2.gz CGRQMQGVBPSYPI-GXSJLCMTSA-N 1 0 304.437 1.102 50 0 DDAARO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000004679561 181135828 /nfs/dbraw/zinc/13/58/28/181135828.db2.gz PQYVJANTOAAMST-UHFFFAOYSA-N 1 0 311.407 1.019 50 0 DDAARO CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)nc2c1 ZINC000584902307 354800471 /nfs/dbraw/zinc/80/04/71/354800471.db2.gz IUZRJDVUBKXLGH-JTQLQIEISA-N 1 0 310.423 1.289 50 0 DDAARO O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000585134133 354811094 /nfs/dbraw/zinc/81/10/94/354811094.db2.gz FSJKAMVKSOEDME-IYBDPMFKSA-N 1 0 310.401 1.543 50 0 DDAARO CN(C)C(=O)NCC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584890984 354793389 /nfs/dbraw/zinc/79/33/89/354793389.db2.gz NMVJPTBBWYSVKL-UHFFFAOYSA-N 1 0 310.442 1.125 50 0 DDAARO COc1ccccc1CN1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000237165273 202173068 /nfs/dbraw/zinc/17/30/68/202173068.db2.gz GTIBZLLETNFTHY-INIZCTEOSA-N 1 0 305.422 1.323 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000237165706 202173082 /nfs/dbraw/zinc/17/30/82/202173082.db2.gz NZFCKSNFHLMQEU-AWEZNQCLSA-N 1 0 303.406 1.091 50 0 DDAARO COc1ccc(-n2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)n2)cc1 ZINC000178573674 198890794 /nfs/dbraw/zinc/89/07/94/198890794.db2.gz SPHUHGQAYOFTAF-LBPRGKRZSA-N 1 0 300.362 1.302 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000237714301 202336662 /nfs/dbraw/zinc/33/66/62/202336662.db2.gz CRBLLZGEJQNSEY-BLLLJJGKSA-N 1 0 303.406 1.522 50 0 DDAARO C/C=C/c1ccc(OCC(=O)N2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000188423425 200243655 /nfs/dbraw/zinc/24/36/55/200243655.db2.gz ADNWTOJTKJBETN-MUBLQREKSA-N 1 0 304.390 1.927 50 0 DDAARO O=C(c1ccccc1COC1CCOCC1)N1CC[NH2+]CC1 ZINC000237881101 202378080 /nfs/dbraw/zinc/37/80/80/202378080.db2.gz OOVPOCICMOKKDZ-UHFFFAOYSA-N 1 0 304.390 1.428 50 0 DDAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000237893362 202381994 /nfs/dbraw/zinc/38/19/94/202381994.db2.gz AJVBFJRISGFGEQ-ZFWWWQNUSA-N 1 0 308.809 1.862 50 0 DDAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000089937649 192911155 /nfs/dbraw/zinc/91/11/55/192911155.db2.gz MCPYEIVLWDKMEW-SMDDNHRTSA-N 1 0 322.478 1.946 50 0 DDAARO [NH3+][C@@H]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000195542715 201403856 /nfs/dbraw/zinc/40/38/56/201403856.db2.gz BIXGAZCWLRNPEA-SECBINFHSA-N 1 0 301.159 1.690 50 0 DDAARO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000107049150 296068231 /nfs/dbraw/zinc/06/82/31/296068231.db2.gz UYQRNKRJODGOKY-BDXSIMOUSA-N 1 0 314.429 1.848 50 0 DDAARO Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCC(=O)NC[C@H]3C)[nH]c12 ZINC000091434713 193054846 /nfs/dbraw/zinc/05/48/46/193054846.db2.gz MHWZAADBHDAZEL-CYBMUJFWSA-N 1 0 313.401 1.855 50 0 DDAARO CCCCn1ccnc1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000091526614 193069483 /nfs/dbraw/zinc/06/94/83/193069483.db2.gz FUPJFKPJTAINMF-HNNXBMFYSA-N 1 0 320.437 1.378 50 0 DDAARO O=C(Cc1ccsc1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091644080 193083893 /nfs/dbraw/zinc/08/38/93/193083893.db2.gz YHPFIUDXJBGURZ-HZPDHXFCSA-N 1 0 322.474 1.843 50 0 DDAARO CCCn1ccnc1-c1cn(C[C@@H](C)[NH+]2CCN(C)CC2)nn1 ZINC000091644465 193083991 /nfs/dbraw/zinc/08/39/91/193083991.db2.gz JSGLYNUDSBXXHK-CQSZACIVSA-N 1 0 317.441 1.188 50 0 DDAARO C[N@@H+]1CCN(C(=O)CC2CCCC2)C[C@@]12CCNC(=O)CC2 ZINC000091656560 193085833 /nfs/dbraw/zinc/08/58/33/193085833.db2.gz GRVCCOOPGBTWAX-QGZVFWFLSA-N 1 0 307.438 1.380 50 0 DDAARO COc1ccc(-c2cn(C[C@@H](O)C[NH+]3CCCC3)nn2)c(F)c1 ZINC000091665608 193088267 /nfs/dbraw/zinc/08/82/67/193088267.db2.gz HGYHPAZAIYGRAJ-LBPRGKRZSA-N 1 0 320.368 1.550 50 0 DDAARO Nc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091806969 193111582 /nfs/dbraw/zinc/11/15/82/193111582.db2.gz DGOSIHQBKNBGSX-GOSISDBHSA-N 1 0 314.433 1.888 50 0 DDAARO Cc1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000092003167 193139307 /nfs/dbraw/zinc/13/93/07/193139307.db2.gz WHKSYTKVQQQQNU-HZPDHXFCSA-N 1 0 317.433 1.556 50 0 DDAARO CC[N@H+](Cc1cc(=O)c2c(C)ccc(C)c2[nH]1)[C@H]1COC[C@@H]1O ZINC000092062309 193151042 /nfs/dbraw/zinc/15/10/42/193151042.db2.gz IIRPSOXGXAWCNH-HOCLYGCPSA-N 1 0 316.401 1.727 50 0 DDAARO O=C([O-])[C@@H]1C[NH2+]CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000097831159 304133896 /nfs/dbraw/zinc/13/38/96/304133896.db2.gz WUGOBZJHTVQVID-MRXNPFEDSA-N 1 0 317.433 1.257 50 0 DDAARO O=C(Cc1cccc(O)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000223887138 201661571 /nfs/dbraw/zinc/66/15/71/201661571.db2.gz HXTGYKHHLXRAIG-UHFFFAOYSA-N 1 0 318.417 1.384 50 0 DDAARO NC(=O)c1cc(OC2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000093260873 193221493 /nfs/dbraw/zinc/22/14/93/193221493.db2.gz SHNKPURQTRHZSH-UHFFFAOYSA-N 1 0 312.373 1.619 50 0 DDAARO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000096477276 193662280 /nfs/dbraw/zinc/66/22/80/193662280.db2.gz NMNZRPVTMFDKBB-LBPRGKRZSA-N 1 0 306.472 1.594 50 0 DDAARO COc1cn(CC(=O)NC(C)C)c(C[NH+]2CCCCC2)cc1=O ZINC000017113460 182075569 /nfs/dbraw/zinc/07/55/69/182075569.db2.gz YDMYFYVBHGTJFV-UHFFFAOYSA-N 1 0 321.421 1.367 50 0 DDAARO CCCOc1ccc(N2C(=O)C[C@@H](SCC[NH3+])C2=O)cc1 ZINC000018284120 182101543 /nfs/dbraw/zinc/10/15/43/182101543.db2.gz YWCQJEKLWHBMOI-CYBMUJFWSA-N 1 0 308.403 1.799 50 0 DDAARO CCCOc1ccc(C[NH2+]CCN2CCOCC2)cc1OC ZINC000020968046 182257238 /nfs/dbraw/zinc/25/72/38/182257238.db2.gz XLNPCDPBTLRLHF-UHFFFAOYSA-N 1 0 308.422 1.906 50 0 DDAARO C[C@H](C(=O)NCCC[NH+]1CCCC1)N1Cc2ccccc2C1=O ZINC000021528092 182279355 /nfs/dbraw/zinc/27/93/55/182279355.db2.gz FPZMIZCGNDCAHL-CQSZACIVSA-N 1 0 315.417 1.633 50 0 DDAARO Cn1cc(CN2CC[N@H+](C)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000022909957 182340017 /nfs/dbraw/zinc/34/00/17/182340017.db2.gz VILZSVJITWOHKN-QGZVFWFLSA-N 1 0 314.433 1.586 50 0 DDAARO Cc1nn(C)cc1CN1CC[N@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000023374160 182358728 /nfs/dbraw/zinc/35/87/28/182358728.db2.gz SDRAMRIPSDNUGG-INIZCTEOSA-N 1 0 308.470 1.643 50 0 DDAARO COc1cc(CN2CC[N@@H+](C(C)C)C[C@H]2CCO)cc(OC)c1 ZINC000039538048 183020232 /nfs/dbraw/zinc/02/02/32/183020232.db2.gz YITRIZGXDCPIGT-MRXNPFEDSA-N 1 0 322.449 1.981 50 0 DDAARO Cn1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039538121 183020652 /nfs/dbraw/zinc/02/06/52/183020652.db2.gz KDTQKJXQHNBTQJ-QGZVFWFLSA-N 1 0 306.454 1.621 50 0 DDAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccs1 ZINC000040479586 183076517 /nfs/dbraw/zinc/07/65/17/183076517.db2.gz YSPWYFLBLSJKTK-AWEZNQCLSA-N 1 0 307.419 1.632 50 0 DDAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccs1 ZINC000040479588 183076570 /nfs/dbraw/zinc/07/65/70/183076570.db2.gz YSPWYFLBLSJKTK-CQSZACIVSA-N 1 0 307.419 1.632 50 0 DDAARO NC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000040540750 183096995 /nfs/dbraw/zinc/09/69/95/183096995.db2.gz KQELHNZQPCXHFR-AWEZNQCLSA-N 1 0 310.369 1.153 50 0 DDAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2CC2)CC1 ZINC000041578021 183206392 /nfs/dbraw/zinc/20/63/92/183206392.db2.gz BWJHHSAQKVAJFZ-UHFFFAOYSA-N 1 0 301.434 1.850 50 0 DDAARO 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CC(C)c1nc(CN(C)[C@H]2CCN([C@H]3CCOC3=O)C2)no1 ZINC000257366025 418568355 /nfs/dbraw/zinc/56/83/55/418568355.db2.gz GNJYIRFDDKWQCI-RYUDHWBXSA-N 1 0 308.382 1.015 50 0 DDAARO CN(C)c1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000216197532 418560130 /nfs/dbraw/zinc/56/01/30/418560130.db2.gz GZDVNZABBPQAHX-QGZVFWFLSA-N 1 0 316.449 1.215 50 0 DDAARO CSCc1noc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)n1 ZINC000219320825 418561019 /nfs/dbraw/zinc/56/10/19/418561019.db2.gz OPVWDJJXZOUWMY-UHFFFAOYSA-N 1 0 321.410 1.122 50 0 DDAARO C[C@H](C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)n1cccn1 ZINC000239539266 222210925 /nfs/dbraw/zinc/21/09/25/222210925.db2.gz AVZWLKGEOMMECD-HUUCEWRRSA-N 1 0 306.410 1.157 50 0 DDAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)[C@H]1CCOC1 ZINC000252477070 222245880 /nfs/dbraw/zinc/24/58/80/222245880.db2.gz HPSKVRUQRCWZDL-RQJABVFESA-N 1 0 304.456 1.061 50 0 DDAARO Cc1cccc(CNC(=O)C[NH2+]C2(CO)CCSCC2)c1 ZINC000408520269 418807722 /nfs/dbraw/zinc/80/77/22/418807722.db2.gz 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[NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000299752414 229396332 /nfs/dbraw/zinc/39/63/32/229396332.db2.gz UBCDAMZDBKAYLN-XQQFMLRXSA-N 1 0 322.840 1.947 50 0 DDAARO C[NH+](C)CC1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000583651799 422210572 /nfs/dbraw/zinc/21/05/72/422210572.db2.gz SOBOTANZYKLRAJ-UHFFFAOYSA-N 1 0 306.790 1.661 50 0 DDAARO CCO[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C12CCCCC2 ZINC000662475625 424659336 /nfs/dbraw/zinc/65/93/36/424659336.db2.gz PYACLMAEEHWURJ-ZIAGYGMSSA-N 1 0 321.425 1.095 50 0 DDAARO COc1cc(N2CCC[N@@H+](C3CCCCC3)CC2)nc(N)n1 ZINC000095497210 274096122 /nfs/dbraw/zinc/09/61/22/274096122.db2.gz DDRPVOJNZWUHFV-UHFFFAOYSA-N 1 0 305.426 1.912 50 0 DDAARO C[C@@H](O)C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000065549053 274273193 /nfs/dbraw/zinc/27/31/93/274273193.db2.gz OZVFIVJBBCXLNZ-CYBMUJFWSA-N 1 0 301.390 1.542 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(C)C ZINC000023362786 276418689 /nfs/dbraw/zinc/41/86/89/276418689.db2.gz AQBPWAITTZUDSS-HOTGVXAUSA-N 1 0 307.413 1.903 50 0 DDAARO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(N)=O)CC1 ZINC000096435783 288155012 /nfs/dbraw/zinc/15/50/12/288155012.db2.gz LXFJYQGDGYQSAE-OAHLLOKOSA-N 1 0 311.376 1.909 50 0 DDAARO Cc1cc(=O)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cn1C ZINC000299798618 280302526 /nfs/dbraw/zinc/30/25/26/280302526.db2.gz UXCHVZORXXZUGM-UHFFFAOYSA-N 1 0 317.433 1.831 50 0 DDAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c2cnn(C)c2n1 ZINC000237425902 280325953 /nfs/dbraw/zinc/32/59/53/280325953.db2.gz YXNSNFANUMIPNT-QMTHXVAHSA-N 1 0 301.394 1.476 50 0 DDAARO CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000299738397 288877237 /nfs/dbraw/zinc/87/72/37/288877237.db2.gz AFBVMFVHOJTCGD-JTNHKYCSSA-N 1 0 307.419 1.088 50 0 DDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000237408374 297016546 /nfs/dbraw/zinc/01/65/46/297016546.db2.gz YHBNSKLIAXPGDG-HHARLNAUSA-N 1 0 323.481 1.604 50 0 DDAARO Cn1c(C[NH3+])nnc1SCc1cc(C(N)=O)oc1C(C)(C)C ZINC000426526010 294152619 /nfs/dbraw/zinc/15/26/19/294152619.db2.gz HWTHMYRUIFSHOG-UHFFFAOYSA-N 1 0 323.422 1.556 50 0 DDAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000252137467 297359607 /nfs/dbraw/zinc/35/96/07/297359607.db2.gz LRURGLUHXPQSIZ-CRWXNKLISA-N 1 0 303.472 1.268 50 0 DDAARO Cc1ncn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(=O)c1C ZINC000097238476 337382604 /nfs/dbraw/zinc/38/26/04/337382604.db2.gz QHZCPTQUSAGWDG-QGZVFWFLSA-N 1 0 313.401 1.279 50 0 DDAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccc(C(N)=O)c2)cn1 ZINC000084317526 483992566 /nfs/dbraw/zinc/99/25/66/483992566.db2.gz MFKDILBIFGDFDT-GOEBONIOSA-N 1 0 314.389 1.386 50 0 DDAARO Cc1nnc(CN(C)[C@@H]2CC[N@H+](CCc3cccs3)C2)n1C ZINC000084291208 483993088 /nfs/dbraw/zinc/99/30/88/483993088.db2.gz QRXRGWFAYDYZBP-CQSZACIVSA-N 1 0 319.478 1.934 50 0 DDAARO CN1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCC1=O ZINC000670452977 484840009 /nfs/dbraw/zinc/84/00/09/484840009.db2.gz GHORBTJKBSCFSY-MRXNPFEDSA-N 1 0 315.417 1.502 50 0 DDAARO O=C(CCC[N@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000670455134 484841502 /nfs/dbraw/zinc/84/15/02/484841502.db2.gz ZDFHMKWYUZIPBR-WMZOPIPTSA-N 1 0 318.417 1.027 50 0 DDAARO Cc1nc(NCC[N@@H+]2CCC[C@@H](CO)C2)nc2c1CCCC2 ZINC000670466069 484846433 /nfs/dbraw/zinc/84/64/33/484846433.db2.gz LVHGAQVFIYKKCE-CQSZACIVSA-N 1 0 304.438 1.780 50 0 DDAARO C[NH+]1CCC(N2CC[N@H+](Cc3cccs3)C[C@H]2CCO)CC1 ZINC000106695857 490595401 /nfs/dbraw/zinc/59/54/01/490595401.db2.gz QNVMLMCFIFWHSH-MRXNPFEDSA-N 1 0 323.506 1.711 50 0 DDAARO CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccsc3)CN2C1=O ZINC000014749457 696055903 /nfs/dbraw/zinc/05/59/03/696055903.db2.gz WDVBTFGBBNLPCR-PYJNHQTQSA-N 1 0 321.446 1.352 50 0 DDAARO Cc1cc2nc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc(C)n2n1 ZINC000072148853 696393424 /nfs/dbraw/zinc/39/34/24/696393424.db2.gz PUCYPAVTQMCKBD-AWEZNQCLSA-N 1 0 315.421 1.902 50 0 DDAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000077285593 696437966 /nfs/dbraw/zinc/43/79/66/696437966.db2.gz IABIVUGKIJNLNN-UHFFFAOYSA-N 1 0 312.373 1.384 50 0 DDAARO O=C(Cc1cccc(F)c1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789413 697346250 /nfs/dbraw/zinc/34/62/50/697346250.db2.gz CLDRGDJRJAWLJO-AWEZNQCLSA-N 1 0 306.381 1.189 50 0 DDAARO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(CCO)c2C)n1 ZINC000303219935 698603556 /nfs/dbraw/zinc/60/35/56/698603556.db2.gz HVDWHSMGFPIDHC-UHFFFAOYSA-N 1 0 305.426 1.485 50 0 DDAARO C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000812331818 702156361 /nfs/dbraw/zinc/15/63/61/702156361.db2.gz HYRSIKNLUOPCSM-BFHYXJOUSA-N 1 0 323.437 1.406 50 0 DDAARO CC[NH+]1CCN(CC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000830840151 706590203 /nfs/dbraw/zinc/59/02/03/706590203.db2.gz CWEPASLZEJGFCA-CQSZACIVSA-N 1 0 317.433 1.264 50 0 DDAARO COc1ccc(CN(C)C(=O)[C@H]2[NH2+]CC23CCOCC3)cc1C ZINC000888101674 709214202 /nfs/dbraw/zinc/21/42/02/709214202.db2.gz KZGGCMGRQGHVSJ-MRXNPFEDSA-N 1 0 318.417 1.731 50 0 DDAARO CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H]([NH3+])c2cncnc2)C1 ZINC000958527953 716612464 /nfs/dbraw/zinc/61/24/64/716612464.db2.gz JGUGIHXLHMODAH-SWLSCSKDSA-N 1 0 308.382 1.238 50 0 DDAARO COc1cccc(C[NH2+]CCN2CCCC[C@H]2CO)c1OC ZINC000952966852 721528997 /nfs/dbraw/zinc/52/89/97/721528997.db2.gz FKMKFTSSDIOILP-HNNXBMFYSA-N 1 0 308.422 1.640 50 0 DDAARO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(O)c(F)c2)CC1 ZINC000952977049 721530969 /nfs/dbraw/zinc/53/09/69/721530969.db2.gz WNAQHXBWJXILHS-GFCCVEGCSA-N 1 0 309.385 1.346 50 0 DDAARO Nc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000952990323 721533305 /nfs/dbraw/zinc/53/33/05/721533305.db2.gz XGRNASJFJLNBKP-CYBMUJFWSA-N 1 0 300.362 1.651 50 0 DDAARO COCCn1c(C)cnc1C[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000581816346 736212236 /nfs/dbraw/zinc/21/22/36/736212236.db2.gz UVYLSBMFWGGYHV-AWEZNQCLSA-N 1 0 308.426 1.774 50 0 DDAARO C[NH+](C)C[C@@H]1[C@H]2CN(S(=O)(=O)CCOc3ccccc3)C[C@H]21 ZINC000823701139 758343341 /nfs/dbraw/zinc/34/33/41/758343341.db2.gz 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/nfs/dbraw/zinc/70/28/33/761702833.db2.gz OBKVQJQJZOEGRM-HNNXBMFYSA-N 1 0 310.438 1.659 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CC[C@@H]1CO ZINC000581798126 761706303 /nfs/dbraw/zinc/70/63/03/761706303.db2.gz GFEKULBSFABKQY-GDBMZVCRSA-N 1 0 301.390 1.553 50 0 DDAARO O=C(C1CC1)N1CC(c2noc([C@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000581800935 761707597 /nfs/dbraw/zinc/70/75/97/761707597.db2.gz DYVLKUPKYZIVQC-CQSZACIVSA-N 1 0 316.405 1.952 50 0 DDAARO CN(CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000585089992 771940578 /nfs/dbraw/zinc/94/05/78/771940578.db2.gz GXKUQSZZSSIZRG-KRWDZBQOSA-N 1 0 316.449 1.019 50 0 DDAARO COc1ccnc(CN2CC3(CC[NH2+]CC3)OC2=O)c1OC ZINC000095506797 185375535 /nfs/dbraw/zinc/37/55/35/185375535.db2.gz ABKPJCQNSVQFCF-UHFFFAOYSA-N 1 0 307.350 1.173 50 0 DDAARO CN(CC1CC1)C(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000076799134 185042675 /nfs/dbraw/zinc/04/26/75/185042675.db2.gz NRPKZFFQALOPFW-UHFFFAOYSA-N 1 0 303.406 1.232 50 0 DDAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000078899176 185125345 /nfs/dbraw/zinc/12/53/45/185125345.db2.gz AQHUPUBBJNMDGI-YPMHNXCESA-N 1 0 322.434 1.570 50 0 DDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000082161663 185174185 /nfs/dbraw/zinc/17/41/85/185174185.db2.gz ZKOMZGNZHUTWNF-CQSZACIVSA-N 1 0 322.380 1.574 50 0 DDAARO CC[NH+](CC)CCS[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000083092971 185212992 /nfs/dbraw/zinc/21/29/92/185212992.db2.gz BBIBYSAYNLHOSK-AWEZNQCLSA-N 1 0 310.467 1.991 50 0 DDAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000255315853 282246167 /nfs/dbraw/zinc/24/61/67/282246167.db2.gz SXDDSIRSCWHICW-BRLPQQTGSA-N 1 0 302.374 1.681 50 0 DDAARO CC[N@@H+]1CCCN(C(=O)NCCCc2nc(C(C)C)no2)CC1 ZINC000095427789 185362177 /nfs/dbraw/zinc/36/21/77/185362177.db2.gz QGDUFGNDKDRATJ-UHFFFAOYSA-N 1 0 323.441 1.863 50 0 DDAARO O=C(NCCNc1ncccn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000068556976 190774135 /nfs/dbraw/zinc/77/41/35/190774135.db2.gz 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186303444 /nfs/dbraw/zinc/30/34/44/186303444.db2.gz MHXSDVFUTSXBGF-LLVKDONJSA-N 1 0 313.199 1.171 50 0 DDAARO CCCn1cc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)cn1 ZINC000072418916 191157787 /nfs/dbraw/zinc/15/77/87/191157787.db2.gz QQYYKOGUGBQRET-UHFFFAOYSA-N 1 0 311.393 1.505 50 0 DDAARO C[NH+](C)Cc1csc(-c2nccn2CCn2cnnc2)c1 ZINC000072480113 191180736 /nfs/dbraw/zinc/18/07/36/191180736.db2.gz HTSDLYSSWFWBIF-UHFFFAOYSA-N 1 0 302.407 1.965 50 0 DDAARO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000076017356 353390747 /nfs/dbraw/zinc/39/07/47/353390747.db2.gz JSFIIZFDUKPYRA-GXTWGEPZSA-N 1 0 307.394 1.389 50 0 DDAARO CCCc1nnc([C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CCO2)[nH]1 ZINC000076046651 353393087 /nfs/dbraw/zinc/39/30/87/353393087.db2.gz FTCSYVVSVPMWBX-CHWSQXEVSA-N 1 0 321.425 1.141 50 0 DDAARO COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)C2 ZINC000084714270 353726588 /nfs/dbraw/zinc/72/65/88/353726588.db2.gz UZEFCOOTGIPIIU-XPKDYRNWSA-N 1 0 318.417 1.655 50 0 DDAARO CC(C)(C)c1n[nH]cc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000097159297 353917634 /nfs/dbraw/zinc/91/76/34/353917634.db2.gz AIUPVZWQJCSTEJ-UHFFFAOYSA-N 1 0 314.455 1.221 50 0 DDAARO Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000106918319 353943370 /nfs/dbraw/zinc/94/33/70/353943370.db2.gz FAKAEDKRXZKPBC-KBPBESRZSA-N 1 0 313.423 1.022 50 0 DDAARO CN(C)c1nc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cs1 ZINC000130235050 354090989 /nfs/dbraw/zinc/09/09/89/354090989.db2.gz ZNLSRMAUMWAIKV-LLVKDONJSA-N 1 0 311.455 1.302 50 0 DDAARO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl ZINC000136706785 354118003 /nfs/dbraw/zinc/11/80/03/354118003.db2.gz OHRBAFYCAPUXEZ-GHMZBOCLSA-N 1 0 316.835 1.989 50 0 DDAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000195544792 354296584 /nfs/dbraw/zinc/29/65/84/354296584.db2.gz XKFASWQSNBZRJT-KGLIPLIRSA-N 1 0 318.377 1.107 50 0 DDAARO CCOC(=O)C1=C(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)NC(=O)NC1 ZINC000245237834 354352437 /nfs/dbraw/zinc/35/24/37/354352437.db2.gz YVOODVUQGWVPDH-OLZOCXBDSA-N 1 0 321.421 1.629 50 0 DDAARO CC[NH+](CC)CCO[C@@H]1CCN(c2ncnc3onc(C)c32)C1 ZINC000252484549 354383470 /nfs/dbraw/zinc/38/34/70/354383470.db2.gz FYZWUGXBIJUHKH-CYBMUJFWSA-N 1 0 319.409 1.863 50 0 DDAARO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000299754062 354456873 /nfs/dbraw/zinc/45/68/73/354456873.db2.gz TZAVIAXZXUOSAE-LSDHHAIUSA-N 1 0 319.453 1.378 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)cc1 ZINC000004700131 181139241 /nfs/dbraw/zinc/13/92/41/181139241.db2.gz HSFQXMDCEHXFNL-OAHLLOKOSA-N 1 0 303.406 1.212 50 0 DDAARO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCCC3(CCOCC3)C2)C1 ZINC000584900297 354799831 /nfs/dbraw/zinc/79/98/31/354799831.db2.gz UNKJANOWFRLDTC-OAHLLOKOSA-N 1 0 309.454 1.042 50 0 DDAARO O=S1(=O)CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584902212 354800594 /nfs/dbraw/zinc/80/05/94/354800594.db2.gz FQKWXJMRWRZMGD-CQSZACIVSA-N 1 0 312.410 1.571 50 0 DDAARO C[N@@H+]1CCCN(CC(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000584901551 354800749 /nfs/dbraw/zinc/80/07/49/354800749.db2.gz GHONYLSURSPROT-QGZVFWFLSA-N 1 0 301.434 1.298 50 0 DDAARO CN(C)c1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)nc1 ZINC000585136364 354812817 /nfs/dbraw/zinc/81/28/17/354812817.db2.gz CGVQAJNVXJOJTN-UHFFFAOYSA-N 1 0 315.377 1.855 50 0 DDAARO NC(=O)[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043095400 283349016 /nfs/dbraw/zinc/34/90/16/283349016.db2.gz QTVJDILZFHHWIP-CHWSQXEVSA-N 1 0 320.393 1.076 50 0 DDAARO Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000237746091 202343665 /nfs/dbraw/zinc/34/36/65/202343665.db2.gz IITKWBVZLOOGHS-OAGGEKHMSA-N 1 0 318.417 1.906 50 0 DDAARO Cc1c(C(=O)N2CCC[NH2+]CC2)nnn1-c1ccccc1Cl ZINC000237744195 202343759 /nfs/dbraw/zinc/34/37/59/202343759.db2.gz FMMYXMNOSDCWLO-UHFFFAOYSA-N 1 0 319.796 1.665 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000237748911 202345354 /nfs/dbraw/zinc/34/53/54/202345354.db2.gz CBQIXFBKZCLAKW-NSHDSACASA-N 1 0 302.827 1.926 50 0 DDAARO c1cc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c[nH]1 ZINC000241776810 202466961 /nfs/dbraw/zinc/46/69/61/202466961.db2.gz RSVFYDXOAJWSOM-AWEZNQCLSA-N 1 0 311.393 1.459 50 0 DDAARO C[C@@H](O)C[NH2+]CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000006085798 181311447 /nfs/dbraw/zinc/31/14/47/181311447.db2.gz ZMQGFSJLMOZFOU-SECBINFHSA-N 1 0 305.205 1.623 50 0 DDAARO Cc1cnn(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1 ZINC000091435273 193054921 /nfs/dbraw/zinc/05/49/21/193054921.db2.gz ARYKXMGBEWHVGS-HZPDHXFCSA-N 1 0 302.422 1.524 50 0 DDAARO O=C(CO)N[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000091505231 193066024 /nfs/dbraw/zinc/06/60/24/193066024.db2.gz BXGWQKDAZJNKGF-OLZOCXBDSA-N 1 0 316.323 1.515 50 0 DDAARO Cn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091769539 193103782 /nfs/dbraw/zinc/10/37/82/193103782.db2.gz WMKAGFUZWKEOOL-DOTOQJQBSA-N 1 0 311.433 1.912 50 0 DDAARO OCCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1F)CC2 ZINC000091830474 193114652 /nfs/dbraw/zinc/11/46/52/193114652.db2.gz YJPIYCKKMAEZEL-CVEARBPZSA-N 1 0 309.381 1.550 50 0 DDAARO O=C(C1CCC1)N1CC[C@]2(O)CC[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC000091845715 193117023 /nfs/dbraw/zinc/11/70/23/193117023.db2.gz WPLGCNZUGSSJAB-CRAIPNDOSA-N 1 0 318.417 1.865 50 0 DDAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](CCO)CC2 ZINC000091847829 193117137 /nfs/dbraw/zinc/11/71/37/193117137.db2.gz RXPOSKPYGMRGNJ-UHFFFAOYSA-N 1 0 316.445 1.926 50 0 DDAARO C[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@]12CCNC(=O)CC2 ZINC000091877188 193121656 /nfs/dbraw/zinc/12/16/56/193121656.db2.gz FUVZSSNXHUKAJJ-KRWDZBQOSA-N 1 0 305.397 1.612 50 0 DDAARO CCc1nc(N[C@H]2C[N@H+](CCCO)C[C@@H]2C2CC2)ncc1C ZINC000091907342 193124500 /nfs/dbraw/zinc/12/45/00/193124500.db2.gz MUVINNQRWHRGEM-ZBFHGGJFSA-N 1 0 304.438 1.852 50 0 DDAARO COc1cccc(N2C[C@H](Nc3cc(N)[nH+]c(C)n3)CC2=O)c1 ZINC000091943856 193130006 /nfs/dbraw/zinc/13/00/06/193130006.db2.gz CBLNSEIPLKTYOZ-LLVKDONJSA-N 1 0 313.361 1.593 50 0 DDAARO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091966105 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DDAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2cnc(C)cn2)c1 ZINC000426487252 419485212 /nfs/dbraw/zinc/48/52/12/419485212.db2.gz BNADPIWQTQFTNC-UHFFFAOYSA-N 1 0 300.362 1.361 50 0 DDAARO Cc1ccc(C(=O)N2CC(n3cccn3)C2)cc1OCC[NH3+] ZINC000426406047 419459356 /nfs/dbraw/zinc/45/93/56/419459356.db2.gz HRLDTFQJWZIEJA-UHFFFAOYSA-N 1 0 300.362 1.226 50 0 DDAARO Cc1cccc(-n2cc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000426412796 419465394 /nfs/dbraw/zinc/46/53/94/419465394.db2.gz NPYPIGZPDNGKKD-HNNXBMFYSA-N 1 0 313.405 1.732 50 0 DDAARO CN(CC[NH+]1CCCCCC1)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000426435294 419468589 /nfs/dbraw/zinc/46/85/89/419468589.db2.gz FHYLXDVYTRSXBM-AWEZNQCLSA-N 1 0 319.453 1.875 50 0 DDAARO Cn1cncc1-c1cccc(C(=O)N(CCO)CC[NH+](C)C)c1 ZINC000426473007 419475618 /nfs/dbraw/zinc/47/56/18/419475618.db2.gz WWXSYMVBUYNTIU-UHFFFAOYSA-N 1 0 316.405 1.083 50 0 DDAARO Cc1cnn(CCCSc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1 ZINC000426647070 419525008 /nfs/dbraw/zinc/52/50/08/419525008.db2.gz KKAUJBJQHXONQJ-CYBMUJFWSA-N 1 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CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000069947291 277315681 /nfs/dbraw/zinc/31/56/81/277315681.db2.gz SSZWDTPNABTLHS-UHFFFAOYSA-N 1 0 318.417 1.079 50 0 DDAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cn2cccc(C)c2n1 ZINC000244748861 277343751 /nfs/dbraw/zinc/34/37/51/277343751.db2.gz OPTACUGAUZLUMJ-ZFWWWQNUSA-N 1 0 316.405 1.480 50 0 DDAARO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000027119881 278427688 /nfs/dbraw/zinc/42/76/88/278427688.db2.gz HCZVIOMKJRKYTR-LBPRGKRZSA-N 1 0 319.457 1.141 50 0 DDAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)no1 ZINC000023106543 278721135 /nfs/dbraw/zinc/72/11/35/278721135.db2.gz VJVZWAONBRKSDT-JTQLQIEISA-N 1 0 322.390 1.402 50 0 DDAARO Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C[NH3+])CC2=O)c(F)c1 ZINC000237653504 280883812 /nfs/dbraw/zinc/88/38/12/280883812.db2.gz WUDQPBULCSGROO-CHWSQXEVSA-N 1 0 319.380 1.437 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000178581903 303428026 /nfs/dbraw/zinc/42/80/26/303428026.db2.gz CZIHLVJJCFRWIE-CJNGLKHVSA-N 1 0 321.396 1.006 50 0 DDAARO c1ccc([C@@H](C[NH2+][C@@H]2CN3CCC2CC3)N2CCOCC2)cc1 ZINC000096013554 304855349 /nfs/dbraw/zinc/85/53/49/304855349.db2.gz QDDHRSHRUMNLHN-RTBURBONSA-N 1 0 315.461 1.744 50 0 DDAARO O[C@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCSC1 ZINC000195556449 325714461 /nfs/dbraw/zinc/71/44/61/325714461.db2.gz SHGCXERDCRXNHE-LBPRGKRZSA-N 1 0 312.401 1.861 50 0 DDAARO Cc1ccccc1[C@H](CNS(=O)(=O)N1CCCC1)[NH+](C)C ZINC000534588190 334293091 /nfs/dbraw/zinc/29/30/91/334293091.db2.gz SFWAUQCXCAMLQT-HNNXBMFYSA-N 1 0 311.451 1.528 50 0 DDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccnn2C(C)C)C1 ZINC000534590685 334294036 /nfs/dbraw/zinc/29/40/36/334294036.db2.gz KTOCAZMSQVCWHI-LBPRGKRZSA-N 1 0 300.428 1.084 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2[nH]nc3c2CCC3)C1 ZINC000534629939 334305111 /nfs/dbraw/zinc/30/51/11/334305111.db2.gz JZFIWIWQRHFRQV-GFCCVEGCSA-N 1 0 305.426 1.524 50 0 DDAARO C[NH+](C)C(C)(C)CNC(=O)N(CCO)Cc1ccc(F)cc1 ZINC000534647992 334316576 /nfs/dbraw/zinc/31/65/76/334316576.db2.gz XKDWZMSPZOBTTQ-UHFFFAOYSA-N 1 0 311.401 1.670 50 0 DDAARO NC(=O)c1cncc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000534670881 334320388 /nfs/dbraw/zinc/32/03/88/334320388.db2.gz QCWRUSIMUYGGLI-LBPRGKRZSA-N 1 0 303.410 1.642 50 0 DDAARO O=C(c1cccs1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000534673870 334321428 /nfs/dbraw/zinc/32/14/28/334321428.db2.gz KXHAUSQEZHKABB-UHFFFAOYSA-N 1 0 305.407 1.234 50 0 DDAARO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000078571098 483970726 /nfs/dbraw/zinc/97/07/26/483970726.db2.gz YIONWNUDDKCYPL-JKSUJKDBSA-N 1 0 319.449 1.236 50 0 DDAARO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1 ZINC000081667881 483979719 /nfs/dbraw/zinc/97/97/19/483979719.db2.gz MSLLJYHUMAURPC-UHFFFAOYSA-N 1 0 324.465 1.812 50 0 DDAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccc(C(N)=O)c2)cn1 ZINC000084317531 483993397 /nfs/dbraw/zinc/99/33/97/483993397.db2.gz MFKDILBIFGDFDT-GDBMZVCRSA-N 1 0 314.389 1.386 50 0 DDAARO COCC[N@@H+]1CCN(Cc2c(C)nn(C)c2Cl)C[C@@H]1C ZINC000106786598 484025018 /nfs/dbraw/zinc/02/50/18/484025018.db2.gz ZNKSFBQCBUCKST-NSHDSACASA-N 1 0 300.834 1.534 50 0 DDAARO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)cnn1C ZINC000215742478 484139898 /nfs/dbraw/zinc/13/98/98/484139898.db2.gz ULHDLMQVAXVADX-AWEZNQCLSA-N 1 0 316.405 1.964 50 0 DDAARO CCc1cc(N(C)Cc2cc(C)on2)nc(N2CCOCC2)[nH+]1 ZINC000670455849 484841479 /nfs/dbraw/zinc/84/14/79/484841479.db2.gz XFJARNJVNSNXFD-UHFFFAOYSA-N 1 0 317.393 1.808 50 0 DDAARO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccn2)CC1)c1nncn1C ZINC000670473708 484850817 /nfs/dbraw/zinc/85/08/17/484850817.db2.gz BCAYIVABWGGWCZ-GFCCVEGCSA-N 1 0 314.393 1.166 50 0 DDAARO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(O[C@H]2CCOC2)c1 ZINC000299739644 534038385 /nfs/dbraw/zinc/03/83/85/534038385.db2.gz QXRNJAPAQJLFNL-BMFZPTHFSA-N 1 0 318.417 1.906 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)C1 ZINC000299739954 534690763 /nfs/dbraw/zinc/69/07/63/534690763.db2.gz TZNAEQLFRAKLHA-YGRLFVJLSA-N 1 0 323.343 1.125 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000170050487 545647975 /nfs/dbraw/zinc/64/79/75/545647975.db2.gz SZCCTRMAXYXHLG-ZNMIVQPWSA-N 1 0 324.446 1.549 50 0 DDAARO CC[N@H+](C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012054792 696048729 /nfs/dbraw/zinc/04/87/29/696048729.db2.gz LIOWHEOELCKQCQ-MRXNPFEDSA-N 1 0 312.360 1.770 50 0 DDAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)C1=NNC(=O)CC1 ZINC000012056588 696048762 /nfs/dbraw/zinc/04/87/62/696048762.db2.gz ATKWLIGTWYJLRX-CYBMUJFWSA-N 1 0 320.437 1.556 50 0 DDAARO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(OC)c1 ZINC000048557310 696214103 /nfs/dbraw/zinc/21/41/03/696214103.db2.gz SFFPSBPGLGJTND-MJSXRHKHSA-N 1 0 321.417 1.925 50 0 DDAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3nnc[nH]3)C2)cc1C ZINC000067673996 696362723 /nfs/dbraw/zinc/36/27/23/696362723.db2.gz BRBYTAQITOVUIA-OAHLLOKOSA-N 1 0 313.405 1.673 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[NH3+]CCc1nc2ccccc2c(NCCSc2nc[nH]n2)n1 ZINC000065433396 184343845 /nfs/dbraw/zinc/34/38/45/184343845.db2.gz GAVHMNBMFPHFEC-UHFFFAOYSA-N 1 0 315.406 1.453 50 0 DDAARO O=C(c1cc(C2CC2)on1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000065440601 184345726 /nfs/dbraw/zinc/34/57/26/184345726.db2.gz QDSCGQZCKKWTLS-AWEZNQCLSA-N 1 0 319.405 1.879 50 0 DDAARO C[C@H](OC[C@H]1CCCCO1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000065496154 184354584 /nfs/dbraw/zinc/35/45/84/184354584.db2.gz ZCGKHOCWRYXNNA-JKSUJKDBSA-N 1 0 312.454 1.809 50 0 DDAARO Cc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000065552956 184365719 /nfs/dbraw/zinc/36/57/19/184365719.db2.gz VMAPWCRHWTZJHD-CQSZACIVSA-N 1 0 309.377 1.476 50 0 DDAARO Cc1[nH]nc2ncc(C(=O)N3CC[NH+](CC(C)C)CC3)cc12 ZINC000065494492 184355135 /nfs/dbraw/zinc/35/51/35/184355135.db2.gz DCAUKVVLCHNATH-UHFFFAOYSA-N 1 0 301.394 1.680 50 0 DDAARO CCNC(=O)[C@@H]1C[C@H](n2cc(CC3CCCCC3)nn2)C[NH2+]1 ZINC000067740795 184483794 /nfs/dbraw/zinc/48/37/94/184483794.db2.gz 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533283203 /nfs/dbraw/zinc/28/32/03/533283203.db2.gz LSPMCRMQXIPFKA-CQSZACIVSA-N 1 0 322.405 1.674 50 0 DDAARO c1coc([C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)N2CCCC2)c1 ZINC000058328241 285564665 /nfs/dbraw/zinc/56/46/65/285564665.db2.gz FPUKLTTYLMQXHK-GJZGRUSLSA-N 1 0 315.421 1.945 50 0 DDAARO COc1ccc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)cc1OC ZINC000223347551 407567315 /nfs/dbraw/zinc/56/73/15/407567315.db2.gz HGVGFUUHDCDNHO-LBPRGKRZSA-N 1 0 308.378 1.012 50 0 DDAARO Cc1ncc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(=O)[nH]1 ZINC000223349858 407568683 /nfs/dbraw/zinc/56/86/83/407568683.db2.gz ARAJFHYCLWOPLI-UHFFFAOYSA-N 1 0 314.389 1.412 50 0 DDAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccccc1 ZINC000000119165 406623022 /nfs/dbraw/zinc/62/30/22/406623022.db2.gz AUCDUOPKHXIVNR-AWEZNQCLSA-N 1 0 301.342 1.945 50 0 DDAARO COc1ccc2[nH]c3c(ncn(CC[NH+]4CCCC4)c3=O)c2c1 ZINC000000525816 406653670 /nfs/dbraw/zinc/65/36/70/406653670.db2.gz OJHHOSXQMOTTSK-UHFFFAOYSA-N 1 0 312.373 1.982 50 0 biogenic DDAARO COCC[N@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC000069414839 406704784 /nfs/dbraw/zinc/70/47/84/406704784.db2.gz GPVHZZGYSXTKRE-UHFFFAOYSA-N 1 0 304.346 1.101 50 0 DDAARO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000069599369 406741526 /nfs/dbraw/zinc/74/15/26/406741526.db2.gz FQFITCTXUGENNL-ZDUSSCGKSA-N 1 0 324.446 1.990 50 0 DDAARO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 ZINC000069653074 406751952 /nfs/dbraw/zinc/75/19/52/406751952.db2.gz CVHPSHJEIQRWHY-HOCLYGCPSA-N 1 0 309.454 1.302 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069668379 406755185 /nfs/dbraw/zinc/75/51/85/406755185.db2.gz ITLMIAZDZAMXGN-IAGOWNOFSA-N 1 0 306.454 1.650 50 0 DDAARO CC(C)OCCOC[C@H](O)C[N@H+](C)CCOc1ccccc1 ZINC000069702369 406759916 /nfs/dbraw/zinc/75/99/16/406759916.db2.gz ZXPJDZYCEOSQDS-MRXNPFEDSA-N 1 0 311.422 1.800 50 0 DDAARO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000069738753 406762668 /nfs/dbraw/zinc/76/26/68/406762668.db2.gz BNSKIYJCROAPRU-ZDUSSCGKSA-N 1 0 310.369 1.249 50 0 DDAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+](CCO)CCO ZINC000002941326 406707946 /nfs/dbraw/zinc/70/79/46/406707946.db2.gz ZNBZHXUPLQXHKA-AWEZNQCLSA-N 1 0 311.422 1.010 50 0 DDAARO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1 ZINC000004472999 406727020 /nfs/dbraw/zinc/72/70/20/406727020.db2.gz BDPXJTPVQWCGDD-UHFFFAOYSA-N 1 0 302.422 1.848 50 0 DDAARO CCOC(=O)[C@@]1(CC(C)C)C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004784565 406728456 /nfs/dbraw/zinc/72/84/56/406728456.db2.gz MXAUZRYYPQMEBU-NOZJJQNGSA-N 1 0 302.396 1.524 50 0 DDAARO C[C@@H]1C[C@H](N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)C(=O)O1 ZINC000069840534 406777960 /nfs/dbraw/zinc/77/79/60/406777960.db2.gz YMGCVZSCAFXDNM-JHNDHUHGSA-N 1 0 318.417 1.430 50 0 DDAARO C[C@@H](O)C[NH+]1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000069842274 406778766 /nfs/dbraw/zinc/77/87/66/406778766.db2.gz MMJWTNVVRGHFOP-CQSZACIVSA-N 1 0 318.396 1.510 50 0 DDAARO Cc1noc(C)c1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122003 406779201 /nfs/dbraw/zinc/77/92/01/406779201.db2.gz FDXDEGACHDOLHU-UHFFFAOYSA-N 1 0 314.389 1.968 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000069815284 406776384 /nfs/dbraw/zinc/77/63/84/406776384.db2.gz MBUKYLOXMLOTJF-OAHLLOKOSA-N 1 0 305.426 1.229 50 0 DDAARO O[C@@H](C[NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000069894824 406786684 /nfs/dbraw/zinc/78/66/84/406786684.db2.gz ACOLBAAUDSWFKP-CVEARBPZSA-N 1 0 316.380 1.908 50 0 DDAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069946407 406794469 /nfs/dbraw/zinc/79/44/69/406794469.db2.gz WANJWSZATCRSPQ-HZPDHXFCSA-N 1 0 319.405 1.908 50 0 DDAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000070036385 406803543 /nfs/dbraw/zinc/80/35/43/406803543.db2.gz OWFZNLZMSPNSCJ-NSHDSACASA-N 1 0 318.381 1.241 50 0 DDAARO Cc1oc(-c2ccco2)nc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000070038720 406806665 /nfs/dbraw/zinc/80/66/65/406806665.db2.gz SBDOKLGEXRTVFQ-GFCCVEGCSA-N 1 0 305.378 1.741 50 0 DDAARO CC[NH+]1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1 ZINC000008739207 406796106 /nfs/dbraw/zinc/79/61/06/406796106.db2.gz KKQIYYGKENVGDH-UHFFFAOYSA-N 1 0 302.353 1.718 50 0 DDAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000070975393 406828937 /nfs/dbraw/zinc/82/89/37/406828937.db2.gz MYGZQTYIPSKDRN-SECBINFHSA-N 1 0 308.325 1.817 50 0 DDAARO CC(C)C(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697758 406829376 /nfs/dbraw/zinc/82/93/76/406829376.db2.gz LKGVBBTZNYGNSZ-UHFFFAOYSA-N 1 0 300.366 1.799 50 0 DDAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH+]1CCCC1 ZINC000011879182 406832001 /nfs/dbraw/zinc/83/20/01/406832001.db2.gz LZEJNHXCSBNMCC-QGZVFWFLSA-N 1 0 324.371 1.914 50 0 DDAARO Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000011934619 406832909 /nfs/dbraw/zinc/83/29/09/406832909.db2.gz AVGAWEHVFSPUPZ-SFHVURJKSA-N 1 0 320.408 1.987 50 0 DDAARO CC(C)(C)CN1CCC[C@@](O)(C[NH+]2CCC(CO)CC2)C1=O ZINC000011873192 406832946 /nfs/dbraw/zinc/83/29/46/406832946.db2.gz JERFFNPMJUGDKT-QGZVFWFLSA-N 1 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/nfs/dbraw/zinc/85/79/35/406857935.db2.gz MDUOYWXOYFXZBI-HNNXBMFYSA-N 1 0 318.446 1.768 50 0 DDAARO CCn1nc(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000071885760 406860589 /nfs/dbraw/zinc/86/05/89/406860589.db2.gz RGUPIKMGAZVGPW-UHFFFAOYSA-N 1 0 315.421 1.810 50 0 DDAARO COc1cccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)c1OC ZINC000071888642 406862002 /nfs/dbraw/zinc/86/20/02/406862002.db2.gz VEJFTHRMJITNPU-GFCCVEGCSA-N 1 0 302.378 1.732 50 0 DDAARO OCCC[NH+]1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 ZINC000071914511 406866802 /nfs/dbraw/zinc/86/68/02/406866802.db2.gz YJUCRDDDNUNJMF-UHFFFAOYSA-N 1 0 308.332 1.412 50 0 DDAARO Cc1nnc2n1C[C@@H](C[NH2+]C[C@@](C)(O)c1ccccc1)CC2 ZINC000072252959 406874690 /nfs/dbraw/zinc/87/46/90/406874690.db2.gz BIHPORKRAHVQSW-RHSMWYFYSA-N 1 0 300.406 1.646 50 0 DDAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C)CC2 ZINC000014541275 406876493 /nfs/dbraw/zinc/87/64/93/406876493.db2.gz DGNVZAHGGZUDFT-UHFFFAOYSA-N 1 0 301.390 1.588 50 0 DDAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C)CC2)C1=O ZINC000014534421 406876567 /nfs/dbraw/zinc/87/65/67/406876567.db2.gz IEADEVYDCURINN-UHFFFAOYSA-N 1 0 315.417 1.978 50 0 DDAARO CC(C)N1C(=O)N(C)C2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000014750807 406876877 /nfs/dbraw/zinc/87/68/77/406876877.db2.gz KCYJFJBDDYCHRS-UHFFFAOYSA-N 1 0 319.409 1.057 50 0 DDAARO CC[N@H+](C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000072274275 406877238 /nfs/dbraw/zinc/87/72/38/406877238.db2.gz OFBKBTHISGSFKF-OAHLLOKOSA-N 1 0 318.421 1.038 50 0 DDAARO [NH2+]=C1NC(Nc2ccccc2)=N[C@]2(N1)c1ccccc1NC2=O ZINC000019319844 406884366 /nfs/dbraw/zinc/88/43/66/406884366.db2.gz QHFUKYFXDBWFQF-MRXNPFEDSA-N 1 0 306.329 1.178 50 0 DDAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccnc3)CC2)C1 ZINC000020783528 406887337 /nfs/dbraw/zinc/88/73/37/406887337.db2.gz XGRMHJJSYWAYJF-MRXNPFEDSA-N 1 0 316.449 1.852 50 0 DDAARO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000020473810 406887352 /nfs/dbraw/zinc/88/73/52/406887352.db2.gz YNNIXMIPOPJRLK-UHFFFAOYSA-N 1 0 308.325 1.689 50 0 DDAARO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000025418008 406898106 /nfs/dbraw/zinc/89/81/06/406898106.db2.gz FEYRSJJGGWLLHG-CYBMUJFWSA-N 1 0 303.406 1.231 50 0 DDAARO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025410523 406898196 /nfs/dbraw/zinc/89/81/96/406898196.db2.gz DXGCNADPORGIHM-ZDUSSCGKSA-N 1 0 315.417 1.157 50 0 DDAARO O=C1c2ccccc2C(=O)N1CN1CC[NH+](C2CCCC2)CC1 ZINC000026627365 406906161 /nfs/dbraw/zinc/90/61/61/406906161.db2.gz FWFWUOFGRHTUAS-UHFFFAOYSA-N 1 0 313.401 1.800 50 0 DDAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1C ZINC000012317504 406841311 /nfs/dbraw/zinc/84/13/11/406841311.db2.gz NINCONPZQGFQEA-INIZCTEOSA-N 1 0 324.428 1.586 50 0 DDAARO CCCNC(=O)CN1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC000030911814 406935374 /nfs/dbraw/zinc/93/53/74/406935374.db2.gz VKCODRZKHRRPLQ-UHFFFAOYSA-N 1 0 319.449 1.775 50 0 DDAARO CCOc1cc(CNC(=O)CCN2CC[NH+](CC)CC2)ccn1 ZINC000075582124 406935630 /nfs/dbraw/zinc/93/56/30/406935630.db2.gz YMERCHYJHHUTKJ-UHFFFAOYSA-N 1 0 320.437 1.124 50 0 DDAARO CC(C)[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[NH+]1CCC(C)CC1 ZINC000031900798 406943227 /nfs/dbraw/zinc/94/32/27/406943227.db2.gz FVVVUAGNLGBXMD-CQSZACIVSA-N 1 0 306.410 1.669 50 0 DDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000032769153 406952310 /nfs/dbraw/zinc/95/23/10/406952310.db2.gz CMFBCLHBZOQKEB-CYBMUJFWSA-N 1 0 321.446 1.609 50 0 DDAARO CCc1ccc(N2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000076060810 406952830 /nfs/dbraw/zinc/95/28/30/406952830.db2.gz AKPNTYCQINTUFF-UHFFFAOYSA-N 1 0 303.450 1.703 50 0 DDAARO CC(=O)N[C@@H](CC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000032963994 406957466 /nfs/dbraw/zinc/95/74/66/406957466.db2.gz YBMDPYDCGZTEBT-INIZCTEOSA-N 1 0 303.406 1.418 50 0 DDAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1 ZINC000044919672 407034528 /nfs/dbraw/zinc/03/45/28/407034528.db2.gz IAUBXXGXHQCCRU-WCQYABFASA-N 1 0 324.450 1.258 50 0 DDAARO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[NH2+]CC1 ZINC000037465190 406989894 /nfs/dbraw/zinc/98/98/94/406989894.db2.gz VTCKIJBXMWHMPH-UHFFFAOYSA-N 1 0 324.324 1.569 50 0 DDAARO O=C(c1c[nH]c2ccccc12)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436678 407101139 /nfs/dbraw/zinc/10/11/39/407101139.db2.gz NZNZPMMBDLQHCA-QGZVFWFLSA-N 1 0 313.401 1.697 50 0 DDAARO O=C(NCc1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085466807 407102050 /nfs/dbraw/zinc/10/20/50/407102050.db2.gz MNGFGYXFSCZBMY-MRXNPFEDSA-N 1 0 321.396 1.424 50 0 DDAARO O=C(Cc1cccc(O)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000085634899 407103381 /nfs/dbraw/zinc/10/33/81/407103381.db2.gz ZQBDYDHZODZFBY-OAHLLOKOSA-N 1 0 304.390 1.115 50 0 DDAARO CN1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000085503169 407103714 /nfs/dbraw/zinc/10/37/14/407103714.db2.gz JPLHJJZIOGDWFJ-MRXNPFEDSA-N 1 0 303.406 1.552 50 0 DDAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)[nH]n1 ZINC000091664349 407182810 /nfs/dbraw/zinc/18/28/10/407182810.db2.gz RVOVCXHWIHIJKE-HUUCEWRRSA-N 1 0 320.437 1.275 50 0 DDAARO Cc1ccc(N2C[C@H](C(=O)N3CCC[N@@H+](C)CC3)CC2=O)cc1 ZINC000095348859 407206708 /nfs/dbraw/zinc/20/67/08/407206708.db2.gz DHPMUINCMMUCAC-OAHLLOKOSA-N 1 0 315.417 1.512 50 0 DDAARO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)N(C)C)C[C@H](C)O1 ZINC000055869851 407207597 /nfs/dbraw/zinc/20/75/97/407207597.db2.gz XWLACMVNTDLLAQ-KBPBESRZSA-N 1 0 305.422 1.796 50 0 DDAARO CCCCSc1nc(N)cc(N2CCO[C@H](CC[NH3+])C2)n1 ZINC000095381238 407212178 /nfs/dbraw/zinc/21/21/78/407212178.db2.gz NFXAIBRGULDHFS-LLVKDONJSA-N 1 0 311.455 1.505 50 0 DDAARO CCCCSc1nc(NCCN2CCNC2=O)cc(N)[nH+]1 ZINC000095384303 407212776 /nfs/dbraw/zinc/21/27/76/407212776.db2.gz AONNQJPIRSPWMO-UHFFFAOYSA-N 1 0 310.427 1.388 50 0 DDAARO Cn1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](C)C[C@]4(C(=O)[O-])C3)ccc21 ZINC000096131117 407239869 /nfs/dbraw/zinc/23/98/69/407239869.db2.gz PHHOJINFDYCDQR-YJBOKZPZSA-N 1 0 313.401 1.627 50 0 DDAARO CC(C)C[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000096130706 407239946 /nfs/dbraw/zinc/23/99/46/407239946.db2.gz WFBYKIGJKGDCJU-UHFFFAOYSA-N 1 0 321.469 1.483 50 0 DDAARO COCC(=O)Nc1cccc(NC(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000096140854 407240405 /nfs/dbraw/zinc/24/04/05/407240405.db2.gz MTIZBSIEVYZZAJ-LLVKDONJSA-N 1 0 306.366 1.145 50 0 DDAARO CNC(=O)c1ccc(/C=C\C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000096157924 407241387 /nfs/dbraw/zinc/24/13/87/407241387.db2.gz JDTILFLMSLWRGK-FLIBITNWSA-N 1 0 317.433 1.763 50 0 DDAARO C[N@@H+]1CCC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC000065431736 407242945 /nfs/dbraw/zinc/24/29/45/407242945.db2.gz UQFCWHFARUTUBJ-UHFFFAOYSA-N 1 0 317.437 1.235 50 0 DDAARO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000065965556 407246703 /nfs/dbraw/zinc/24/67/03/407246703.db2.gz SJGWMIDZZWFRMJ-AWEZNQCLSA-N 1 0 323.437 1.600 50 0 DDAARO C[C@H](CC1=CC[N@H+](CC(=O)N(C)C)CC1)NC(=O)c1ccco1 ZINC000067489738 407275209 /nfs/dbraw/zinc/27/52/09/407275209.db2.gz AFPSUQPGFNNUJA-CYBMUJFWSA-N 1 0 319.405 1.508 50 0 DDAARO C[NH+]1CCC(Nc2cccnc2N2CCC(CO)CC2)CC1 ZINC000097038746 407276442 /nfs/dbraw/zinc/27/64/42/407276442.db2.gz ULLQUWRFQYEZBD-UHFFFAOYSA-N 1 0 304.438 1.796 50 0 DDAARO CCNc1cc(N2CCN(C(=O)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000067614261 407277709 /nfs/dbraw/zinc/27/77/09/407277709.db2.gz AWHQJFPPYFBCOO-UHFFFAOYSA-N 1 0 305.426 1.912 50 0 DDAARO Cc1cc(N2CCC(O)(CO)CC2)c2cc3c(cc2[nH+]1)OCO3 ZINC000067605161 407277862 /nfs/dbraw/zinc/27/78/62/407277862.db2.gz LUNCDNQZDXUEKR-UHFFFAOYSA-N 1 0 316.357 1.596 50 0 DDAARO NC(=O)CC[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067673942 407279386 /nfs/dbraw/zinc/27/93/86/407279386.db2.gz VPQNHRXICVUVDD-UHFFFAOYSA-N 1 0 304.781 1.964 50 0 DDAARO CCNc1ncc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cn1 ZINC000067676314 407279808 /nfs/dbraw/zinc/27/98/08/407279808.db2.gz DTLZEXJKHDYPBP-UHFFFAOYSA-N 1 0 317.437 1.743 50 0 DDAARO Cc1cc(C)n2nc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc2n1 ZINC000067690384 407280605 /nfs/dbraw/zinc/28/06/05/407280605.db2.gz IWTDSEBJEGVOKV-AWEZNQCLSA-N 1 0 315.421 1.806 50 0 DDAARO CC(C)C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(=O)c(O)co2)C1 ZINC000067689052 407280797 /nfs/dbraw/zinc/28/07/97/407280797.db2.gz UDLPFHXWJDMHMA-CYBMUJFWSA-N 1 0 322.405 1.833 50 0 DDAARO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccco1)C(F)(F)F ZINC000067698939 407280850 /nfs/dbraw/zinc/28/08/50/407280850.db2.gz TZCUGHDUFGKNST-GFCCVEGCSA-N 1 0 303.284 1.943 50 0 DDAARO COC(=O)c1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c[nH]1 ZINC000097236847 407289099 /nfs/dbraw/zinc/28/90/99/407289099.db2.gz DTKQWYOLFMSFCU-CYBMUJFWSA-N 1 0 316.405 1.990 50 0 DDAARO CCOCC[N@@H+]1CCC=C([C@H]2CCCCN2C(=O)COC)C1 ZINC000067909188 407290452 /nfs/dbraw/zinc/29/04/52/407290452.db2.gz MHKWQJKGGPZMPV-MRXNPFEDSA-N 1 0 310.438 1.683 50 0 DDAARO CCc1c(C)scc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067934456 407291175 /nfs/dbraw/zinc/29/11/75/407291175.db2.gz TWZDCMGZXNTQII-FZMZJTMJSA-N 1 0 323.462 1.685 50 0 DDAARO Cc1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3ccncc3)C2)cn1 ZINC000067948006 407292463 /nfs/dbraw/zinc/29/24/63/407292463.db2.gz VSNSBQYYWODFLF-CQSZACIVSA-N 1 0 311.389 1.432 50 0 DDAARO CC(C)[NH+](CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(C)C ZINC000097766665 407302088 /nfs/dbraw/zinc/30/20/88/407302088.db2.gz YOLOJCNZYNFKKM-UHFFFAOYSA-N 1 0 306.410 1.496 50 0 DDAARO CCOc1ccc(CCCNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000097819713 407303390 /nfs/dbraw/zinc/30/33/90/407303390.db2.gz JBLUWMOVPRXADG-OAHLLOKOSA-N 1 0 306.406 1.513 50 0 DDAARO COc1c(C)cnc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000106929725 407367886 /nfs/dbraw/zinc/36/78/86/407367886.db2.gz LOEVFVFXYZTHIF-KGLIPLIRSA-N 1 0 307.438 1.594 50 0 DDAARO COC[C@H](c1ccccn1)N(C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000215128945 407478978 /nfs/dbraw/zinc/47/89/78/407478978.db2.gz WARHIEVZEZRXOF-MRXNPFEDSA-N 1 0 301.394 1.201 50 0 DDAARO COCC(=O)N[C@@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000257187101 407483158 /nfs/dbraw/zinc/48/31/58/407483158.db2.gz LIFLYSMLMFWYPG-OAHLLOKOSA-N 1 0 303.406 1.589 50 0 DDAARO Cn1ccnc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257182917 407484000 /nfs/dbraw/zinc/48/40/00/407484000.db2.gz GZLRCJPTCIKPTA-HZPDHXFCSA-N 1 0 310.401 1.767 50 0 DDAARO Cc1ccc(CN2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)o1 ZINC000257192339 407486647 /nfs/dbraw/zinc/48/66/47/407486647.db2.gz TZGDBPAKQSJVKM-GOEBONIOSA-N 1 0 315.373 1.206 50 0 DDAARO CCCOc1ccc(CN2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1OC ZINC000257190948 407486664 /nfs/dbraw/zinc/48/66/64/407486664.db2.gz OJBIVACQVINJCD-JKSUJKDBSA-N 1 0 322.449 1.838 50 0 DDAARO Cc1nocc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257191243 407487682 /nfs/dbraw/zinc/48/76/82/407487682.db2.gz PNCSOEMDTBZGQR-GDBMZVCRSA-N 1 0 312.373 1.725 50 0 DDAARO COC[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1C(=O)NC1CC1 ZINC000253414061 407441601 /nfs/dbraw/zinc/44/16/01/407441601.db2.gz WISCZVDCLWDZRB-GXTWGEPZSA-N 1 0 324.371 1.938 50 0 DDAARO CC[NH+]1CCN(CCNC(=O)Nc2cccnc2Cl)CC1 ZINC000170594780 407446725 /nfs/dbraw/zinc/44/67/25/407446725.db2.gz WNUBXODNRIBLFU-UHFFFAOYSA-N 1 0 311.817 1.494 50 0 DDAARO Cc1cc(NC(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)no1 ZINC000253433562 407451544 /nfs/dbraw/zinc/45/15/44/407451544.db2.gz YKYWLXSSMZPQAJ-KRWDZBQOSA-N 1 0 315.373 1.735 50 0 DDAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000222269961 407553991 /nfs/dbraw/zinc/55/39/91/407553991.db2.gz ZWAZVPNPFARSQH-IUODEOHRSA-N 1 0 314.426 1.770 50 0 DDAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1cc(CO)ccn1 ZINC000219276099 407527886 /nfs/dbraw/zinc/52/78/86/407527886.db2.gz SLHGGADEVGHQOQ-UHFFFAOYSA-N 1 0 303.406 1.712 50 0 DDAARO O=C(c1ccc(O)c(F)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000219657714 407531625 /nfs/dbraw/zinc/53/16/25/407531625.db2.gz ZFVIYHKLKJWTSG-UHFFFAOYSA-N 1 0 322.380 1.594 50 0 DDAARO CSCc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)o1 ZINC000220305955 407539793 /nfs/dbraw/zinc/53/97/93/407539793.db2.gz BKGMKRLJQOYUAD-YXCITZCRSA-N 1 0 310.419 1.590 50 0 DDAARO COCCCC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000220382832 407541477 /nfs/dbraw/zinc/54/14/77/407541477.db2.gz 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407913211 /nfs/dbraw/zinc/91/32/11/407913211.db2.gz RQGLGRSIBFAEPZ-QGZVFWFLSA-N 1 0 322.368 1.952 50 0 DDAARO C[C@@H]1C[C@@H](NC(=O)N[C@H](CO)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000153829310 407911498 /nfs/dbraw/zinc/91/14/98/407911498.db2.gz KVCUTVPUXKTWAY-BMFZPTHFSA-N 1 0 317.433 1.514 50 0 DDAARO C[NH2+][C@H]1CCCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000133433773 407843540 /nfs/dbraw/zinc/84/35/40/407843540.db2.gz NSWXZJJWNCUQKC-AWEZNQCLSA-N 1 0 317.368 1.290 50 0 DDAARO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000237869388 407848049 /nfs/dbraw/zinc/84/80/49/407848049.db2.gz ZLYGXWUKEBKAEV-CJNGLKHVSA-N 1 0 315.417 1.553 50 0 DDAARO C[NH+](C)[C@H]1CCN(CC(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000244899889 407944542 /nfs/dbraw/zinc/94/45/42/407944542.db2.gz ZSIHAPJOWXFPAZ-SFHVURJKSA-N 1 0 313.445 1.938 50 0 DDAARO CC[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000269241174 408234899 /nfs/dbraw/zinc/23/48/99/408234899.db2.gz QVFQIKMAMHHUBK-NSHDSACASA-N 1 0 317.220 1.774 50 0 DDAARO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1C[C@H](C)O ZINC000247398739 408463731 /nfs/dbraw/zinc/46/37/31/408463731.db2.gz YCCSODLGPBXRTE-MELADBBJSA-N 1 0 324.425 1.087 50 0 DDAARO C[C@@H]1COCC[C@@H]1Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000248798132 408634949 /nfs/dbraw/zinc/63/49/49/408634949.db2.gz ZMISTYRLBBYHCV-COXVUDFISA-N 1 0 317.433 1.973 50 0 DDAARO CCN(CC(N)=O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192810445 408651929 /nfs/dbraw/zinc/65/19/29/408651929.db2.gz LECOYUOYNYDDJZ-LBPRGKRZSA-N 1 0 313.760 1.392 50 0 DDAARO CO[C@H](C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000252536208 408803929 /nfs/dbraw/zinc/80/39/29/408803929.db2.gz HWGZETKGDDZUEY-HUUCEWRRSA-N 1 0 312.435 1.388 50 0 DDAARO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccccc21 ZINC000252533109 408804288 /nfs/dbraw/zinc/80/42/88/408804288.db2.gz FVTSSNDASCSPNT-OAHLLOKOSA-N 1 0 316.449 1.785 50 0 DDAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCNc1ncccn1 ZINC000249694338 408757538 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Cc1cccc2[nH]c(CCNC(=O)[C@@H]3CCC[NH2+]CC3)nc21 ZINC000299755092 410605450 /nfs/dbraw/zinc/60/54/50/410605450.db2.gz BISYIYAWVAFDFA-CYBMUJFWSA-N 1 0 300.406 1.920 50 0 DDAARO CC[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ncccc1C ZINC000299759110 410608071 /nfs/dbraw/zinc/60/80/71/410608071.db2.gz OCHXWYGPVZDIPN-HNNXBMFYSA-N 1 0 304.438 1.595 50 0 DDAARO CO[C@]12CC[N@H+](Cc3[nH]cc(C)c(=O)c3C)[C@H]1C[C@H](O)CC2 ZINC000299769398 410615355 /nfs/dbraw/zinc/61/53/55/410615355.db2.gz NBZOOJGYAILPIR-UKPHBRMFSA-N 1 0 306.406 1.908 50 0 DDAARO Cc1ccc2[nH]nc(CNC(=O)CC[NH+]3CCN(C)CC3)c2c1 ZINC000299773273 410617506 /nfs/dbraw/zinc/61/75/06/410617506.db2.gz CGYYHRBHGRVCOO-UHFFFAOYSA-N 1 0 315.421 1.125 50 0 DDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC(c1ccccc1)c1ccccc1 ZINC000299777767 410619954 /nfs/dbraw/zinc/61/99/54/410619954.db2.gz FQTOFHSUTJFKMB-MJGOQNOKSA-N 1 0 323.440 1.966 50 0 DDAARO C[C@@H](CCC(=O)NCCc1cscn1)[NH+]1CCN(C)CC1 ZINC000299780446 410624117 /nfs/dbraw/zinc/62/41/17/410624117.db2.gz 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418431978 /nfs/dbraw/zinc/43/19/78/418431978.db2.gz QXDWJXBXXZUHIP-CQSZACIVSA-N 1 0 304.394 1.112 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCCCNS(=O)(=O)c1cnn(C)c1 ZINC000044937550 418433762 /nfs/dbraw/zinc/43/37/62/418433762.db2.gz ALAMVRSJLZPLRA-ZDUSSCGKSA-N 1 0 314.455 1.353 50 0 DDAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000048132405 418465823 /nfs/dbraw/zinc/46/58/23/418465823.db2.gz FDTVBRNDMDUPLW-LBPRGKRZSA-N 1 0 317.397 1.514 50 0 DDAARO O=C(CC[NH2+]Cc1c[nH]nc1-c1ccccc1)N1CCOCC1 ZINC000048786461 418474936 /nfs/dbraw/zinc/47/49/36/418474936.db2.gz CGUIYJCPSSSZSG-UHFFFAOYSA-N 1 0 314.389 1.415 50 0 DDAARO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000108118892 418499481 /nfs/dbraw/zinc/49/94/81/418499481.db2.gz VDPPBNHPPAZFEI-FMKPAKJESA-N 1 0 306.431 1.857 50 0 DDAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1 ZINC000048304249 418469793 /nfs/dbraw/zinc/46/97/93/418469793.db2.gz PKVCBYUZSGWVBT-PHIMTYICSA-N 1 0 318.377 1.294 50 0 DDAARO 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C[NH+](C)CC[C@@H](NC(=O)c1cncc(=O)[nH]1)c1ccccc1 ZINC000534586807 334292432 /nfs/dbraw/zinc/29/24/32/334292432.db2.gz ZWSISDLRTVQWHC-CYBMUJFWSA-N 1 0 300.362 1.193 50 0 DDAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000534633508 334308527 /nfs/dbraw/zinc/30/85/27/334308527.db2.gz QNIBEYMKWSHIML-GJZGRUSLSA-N 1 0 300.362 1.136 50 0 DDAARO CN(Cc1ccon1)C(=O)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534653383 334312837 /nfs/dbraw/zinc/31/28/37/334312837.db2.gz OVKHJBODJDVKLQ-UHFFFAOYSA-N 1 0 300.362 1.809 50 0 DDAARO COC(=O)CC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000083891241 483987380 /nfs/dbraw/zinc/98/73/80/483987380.db2.gz OBTOPMVUMACGAQ-UHFFFAOYSA-N 1 0 322.380 1.466 50 0 DDAARO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000084259096 483993604 /nfs/dbraw/zinc/99/36/04/483993604.db2.gz UZCYAJCGUGYBOJ-INIZCTEOSA-N 1 0 321.421 1.832 50 0 DDAARO CC(C)([NH3+])CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000236830165 484185990 /nfs/dbraw/zinc/18/59/90/484185990.db2.gz 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C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 ZINC000072156190 191059935 /nfs/dbraw/zinc/05/99/35/191059935.db2.gz GONNOJWDUOVXSM-QGZVFWFLSA-N 1 0 314.389 1.215 50 0 DDAARO CN(CC[NH+]1CCCCCC1)c1ccnc(C(=O)NCCO)c1 ZINC000072165243 191065761 /nfs/dbraw/zinc/06/57/61/191065761.db2.gz SEJQLRBPIIYQKX-UHFFFAOYSA-N 1 0 320.437 1.116 50 0 DDAARO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000072168645 191068425 /nfs/dbraw/zinc/06/84/25/191068425.db2.gz LVUYHAXCILKGSD-CQSZACIVSA-N 1 0 304.390 1.490 50 0 DDAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)no1 ZINC000072270589 191092161 /nfs/dbraw/zinc/09/21/61/191092161.db2.gz VNFPZNMKVRXQPC-GFCCVEGCSA-N 1 0 303.366 1.914 50 0 DDAARO OC[C@H]1CCCN1c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ncn1 ZINC000072276265 191098240 /nfs/dbraw/zinc/09/82/40/191098240.db2.gz IKLDRJATFVFKNK-LSDHHAIUSA-N 1 0 317.437 1.112 50 0 DDAARO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000072294963 191111027 /nfs/dbraw/zinc/11/10/27/191111027.db2.gz 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C[N@@H+]1CC[C@H](NC(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000426490218 419485264 /nfs/dbraw/zinc/48/52/64/419485264.db2.gz PWOYGMHYUYFHCK-ZDUSSCGKSA-N 1 0 315.377 1.275 50 0 DDAARO Cc1cc(CN(C)C(=O)c2cc(C)ccc2OCC[NH3+])on1 ZINC000426370239 419449616 /nfs/dbraw/zinc/44/96/16/419449616.db2.gz WNNDNIRCDZNDKA-UHFFFAOYSA-N 1 0 303.362 1.901 50 0 DDAARO CCn1c(C)ccc(C(=O)N2CC([NH+]3CCCCC3)C2)c1=O ZINC000426443401 419471608 /nfs/dbraw/zinc/47/16/08/419471608.db2.gz PARNOUWNPHQWGZ-UHFFFAOYSA-N 1 0 303.406 1.487 50 0 DDAARO Cc1nc(NCCCC[NH+]2CCCC2)cc([C@H]2CCOC2)n1 ZINC000426612688 419518078 /nfs/dbraw/zinc/51/80/78/419518078.db2.gz WBJSAZVKVCPNCI-HNNXBMFYSA-N 1 0 304.438 2.577 50 0 DDAARO C[NH+](C)[C@H]1CCCN(C(=O)NCCCOc2cccnc2)CC1 ZINC000426640334 419519943 /nfs/dbraw/zinc/51/99/43/419519943.db2.gz CRKINXJUDBNKCU-HNNXBMFYSA-N 1 0 320.437 1.976 50 0 DDAARO CCc1ccc(C(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000426730647 419539180 /nfs/dbraw/zinc/53/91/80/419539180.db2.gz ZQIBCJBSHGOLDJ-KRWDZBQOSA-N 1 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DDAARO O=C(Cc1ccc(F)c(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000195542735 201404159 /nfs/dbraw/zinc/40/41/59/201404159.db2.gz LXDDAVHUVUTKFY-SNVBAGLBSA-N 1 0 315.186 1.999 50 0 DDAARO C[NH2+]CC(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C ZINC000091426557 193053923 /nfs/dbraw/zinc/05/39/23/193053923.db2.gz JAJBEORBIKUVGY-GFCCVEGCSA-N 1 0 319.453 1.951 50 0 DDAARO OCc1ccc(CN2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)o1 ZINC000091526619 193069264 /nfs/dbraw/zinc/06/92/64/193069264.db2.gz WFOXSWJYWHDIQI-CABCVRRESA-N 1 0 308.422 1.298 50 0 DDAARO CCCCn1ccnc1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000091526615 193069436 /nfs/dbraw/zinc/06/94/36/193069436.db2.gz FUPJFKPJTAINMF-OAHLLOKOSA-N 1 0 320.437 1.378 50 0 DDAARO COCCn1ccnc1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000091494108 193063720 /nfs/dbraw/zinc/06/37/20/193063720.db2.gz HEMRUQMNPCVOKB-HNNXBMFYSA-N 1 0 320.437 1.331 50 0 DDAARO Cc1cc(C)nc(CCN2CC3(CC[NH2+]CC3)CCC2=O)n1 ZINC000091650338 193085275 /nfs/dbraw/zinc/08/52/75/193085275.db2.gz 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296114890 /nfs/dbraw/zinc/11/48/90/296114890.db2.gz FRUQLBIGMUOKLW-CHWSQXEVSA-N 1 0 305.413 1.415 50 0 DDAARO Cn1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)ccc1=O ZINC000261746427 203107829 /nfs/dbraw/zinc/10/78/29/203107829.db2.gz OOVAQPLXTYJSGR-UHFFFAOYSA-N 1 0 301.321 1.422 50 0 DDAARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000097229194 193694225 /nfs/dbraw/zinc/69/42/25/193694225.db2.gz XBMWFTFFVQKITA-UHFFFAOYSA-N 1 0 300.424 1.799 50 0 DDAARO CC[NH+]1CCN(C[C@H](O)COc2c(C)cc(C)cc2C)CC1 ZINC000019790726 182149356 /nfs/dbraw/zinc/14/93/56/182149356.db2.gz ZETKVDKZAANZDY-KRWDZBQOSA-N 1 0 306.450 1.989 50 0 DDAARO C[NH+]1CCN(CN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000020311143 182205707 /nfs/dbraw/zinc/20/57/07/182205707.db2.gz XYKIPCCZIBVQDC-UKTHLTGXSA-N 1 0 318.402 1.323 50 0 DDAARO O=C(c1ccccc1I)N1CC[NH2+]CC1 ZINC000021960492 182300442 /nfs/dbraw/zinc/30/04/42/182300442.db2.gz PJRWJQFQPKHRIH-UHFFFAOYSA-N 1 0 316.142 1.337 50 0 DDAARO CCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000022999051 182344360 /nfs/dbraw/zinc/34/43/60/182344360.db2.gz LGZNIHNEJPBGJQ-UHFFFAOYSA-N 1 0 303.406 1.646 50 0 DDAARO C[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000023110427 182347438 /nfs/dbraw/zinc/34/74/38/182347438.db2.gz FDVUUCOIKMKDCO-AWEZNQCLSA-N 1 0 319.430 1.700 50 0 DDAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)NC1CCCC1 ZINC000023127371 182349089 /nfs/dbraw/zinc/34/90/89/182349089.db2.gz FZYBBJSMOMWGDG-UHFFFAOYSA-N 1 0 321.465 1.816 50 0 DDAARO CC(C)CNC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127405 182349464 /nfs/dbraw/zinc/34/94/64/182349464.db2.gz LWPRYYZQOLWPCS-UHFFFAOYSA-N 1 0 309.454 1.529 50 0 DDAARO Cn1cc(Cl)c(CN2CCC(Cn3cc(C[NH3+])nn3)CC2)n1 ZINC000023541783 182363342 /nfs/dbraw/zinc/36/33/42/182363342.db2.gz LWISWFBTALJKEB-UHFFFAOYSA-N 1 0 323.832 1.036 50 0 DDAARO CC(C)(C)C[N@@H+]1CCN(CCCn2cccn2)C[C@H]1CCO ZINC000104427415 194007190 /nfs/dbraw/zinc/00/71/90/194007190.db2.gz BCRLPSSSCXQOMU-MRXNPFEDSA-N 1 0 308.470 1.688 50 0 DDAARO Cc1noc(C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)n1 ZINC000053639407 183908429 /nfs/dbraw/zinc/90/84/29/183908429.db2.gz CBKVHJXAGKSGFB-UHFFFAOYSA-N 1 0 300.362 1.857 50 0 DDAARO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000058280044 184098793 /nfs/dbraw/zinc/09/87/93/184098793.db2.gz DVTCCRDLCHURQJ-UONOGXRCSA-N 1 0 316.401 1.599 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000058282466 184099654 /nfs/dbraw/zinc/09/96/54/184099654.db2.gz IRINKQHZRITMIR-HNNXBMFYSA-N 1 0 319.449 1.958 50 0 DDAARO c1cnn(-c2ccc(CC[NH2+]C[C@H]3CNc4ccnn4C3)cc2)c1 ZINC000058316928 184104777 /nfs/dbraw/zinc/10/47/77/184104777.db2.gz KTYMOXJRSHBDNH-INIZCTEOSA-N 1 0 322.416 1.943 50 0 DDAARO CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000058412108 184114986 /nfs/dbraw/zinc/11/49/86/184114986.db2.gz UUVNEQLLOLXMTC-UHFFFAOYSA-N 1 0 317.433 1.749 50 0 DDAARO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000059810825 184140928 /nfs/dbraw/zinc/14/09/28/184140928.db2.gz XRXALIGITWIHFG-MRXNPFEDSA-N 1 0 313.401 1.730 50 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/nfs/dbraw/zinc/35/92/45/184359245.db2.gz WAGRIABPRDPSSL-OKILXGFUSA-N 1 0 317.499 1.483 50 0 DDAARO NC(=O)c1ccccc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000065562253 184365815 /nfs/dbraw/zinc/36/58/15/184365815.db2.gz MECBNBMTMACUSW-GFCCVEGCSA-N 1 0 317.389 1.225 50 0 DDAARO O=C(C[NH+]1CCC(c2ccnn2CCO)CC1)N1CCCCC1 ZINC000065514472 184357804 /nfs/dbraw/zinc/35/78/04/184357804.db2.gz RVBPLBFFDRXJAY-UHFFFAOYSA-N 1 0 320.437 1.067 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1nc(C(C)C)cs1 ZINC000067696345 184480606 /nfs/dbraw/zinc/48/06/06/184480606.db2.gz LMWCQKRCGLISJR-AAEUAGOBSA-N 1 0 310.467 1.693 50 0 DDAARO CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000159064545 197323647 /nfs/dbraw/zinc/32/36/47/197323647.db2.gz NFCWQJHUKKFUHT-CYBMUJFWSA-N 1 0 324.446 1.552 50 0 DDAARO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000377130662 257234840 /nfs/dbraw/zinc/23/48/40/257234840.db2.gz XUGDUBUNAQNGJL-UUIJZJDISA-N 1 0 321.446 1.511 50 0 DDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262778796 257237601 /nfs/dbraw/zinc/23/76/01/257237601.db2.gz XDLXVNCQWAKWKA-GARJFASQSA-N 1 0 321.343 1.126 50 0 DDAARO C[C@@H]1CN([C@@H]2CCOC2=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376044 257260162 /nfs/dbraw/zinc/26/01/62/257260162.db2.gz KXTFZCOTNXAOTI-FVQBIDKESA-N 1 0 304.390 1.042 50 0 DDAARO C[NH+](C)C[C@@H]1CCN(c2nccc(C3CCCC3)n2)C[C@H]1O ZINC000071776817 184841316 /nfs/dbraw/zinc/84/13/16/184841316.db2.gz JEVYFGDPMVGADW-GOEBONIOSA-N 1 0 304.438 1.883 50 0 DDAARO C[C@H](CCC(=O)NCCCc1ccccn1)[NH+]1CCOCC1 ZINC000222541395 407558789 /nfs/dbraw/zinc/55/87/89/407558789.db2.gz IDUMYFICDVHTLW-OAHLLOKOSA-N 1 0 305.422 1.631 50 0 DDAARO Cc1nn(C)c(C(=O)NC2CC[NH+](C)CC2)c1Br ZINC000002780975 406699054 /nfs/dbraw/zinc/69/90/54/406699054.db2.gz MZAWJPXGLGMUEB-UHFFFAOYSA-N 1 0 315.215 1.315 50 0 DDAARO Cc1ccc(OCC(=O)NCC[NH+](C)C)c(Br)c1 ZINC000002825325 406700973 /nfs/dbraw/zinc/70/09/73/406700973.db2.gz GMVBTJRPRGEAHA-UHFFFAOYSA-N 1 0 315.211 1.814 50 0 DDAARO C[NH2+][C@@]1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1 ZINC000005278173 406731983 /nfs/dbraw/zinc/73/19/83/406731983.db2.gz QQCALNKNJVMBKN-INIZCTEOSA-N 1 0 301.394 1.974 50 0 DDAARO Cc1nnc2n1CCN(C(=O)[C@@H]1CCCC[N@H+]1CC(C)C)C2 ZINC000069778959 406771293 /nfs/dbraw/zinc/77/12/93/406771293.db2.gz KYBDTMDYMRFPFQ-AWEZNQCLSA-N 1 0 305.426 1.439 50 0 DDAARO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000069600371 406741720 /nfs/dbraw/zinc/74/17/20/406741720.db2.gz NKMHGOZLPOCUOJ-HOTGVXAUSA-N 1 0 309.454 1.232 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000069628100 406745617 /nfs/dbraw/zinc/74/56/17/406745617.db2.gz IHASCZKAEVTZBV-IRXDYDNUSA-N 1 0 324.440 1.884 50 0 DDAARO COCC[N@@H+](Cc1ccccc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000007015477 406748040 /nfs/dbraw/zinc/74/80/40/406748040.db2.gz XRWCDBJOPYEFGF-ROUUACIJSA-N 1 0 323.433 1.692 50 0 DDAARO CCCc1noc([C@H](C)NCC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000069511765 406725526 /nfs/dbraw/zinc/72/55/26/406725526.db2.gz JLGLUZNQQHBBIA-STQMWFEESA-N 1 0 310.442 1.766 50 0 DDAARO CN(C)c1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000069922236 406791856 /nfs/dbraw/zinc/79/18/56/406791856.db2.gz BCCZPPXOGXVNDO-UHFFFAOYSA-N 1 0 320.437 1.395 50 0 DDAARO CC[NH+]1CCN(c2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)CC1 ZINC000009698311 406812816 /nfs/dbraw/zinc/81/28/16/406812816.db2.gz ZSZLEAOHYPVCLK-UHFFFAOYSA-N 1 0 314.389 1.587 50 0 DDAARO Cc1ccc(CNC(=O)CSc2nc(N)cc(N)[nH+]2)cc1F ZINC000011770191 406831055 /nfs/dbraw/zinc/83/10/55/406831055.db2.gz XBRFXLFNSGOQTK-UHFFFAOYSA-N 1 0 321.381 1.497 50 0 DDAARO CC(C)[C@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC[N@@H+]1CC1CC1 ZINC000071479489 406840688 /nfs/dbraw/zinc/84/06/88/406840688.db2.gz INEOXGDSSXVBCZ-OAHLLOKOSA-N 1 0 320.437 1.006 50 0 DDAARO CCn1cc(C(=O)NCCC[NH+](C)C)c(=O)c2ccc(C)nc21 ZINC000012321211 406840590 /nfs/dbraw/zinc/84/05/90/406840590.db2.gz RTRHXVSANCCKPV-UHFFFAOYSA-N 1 0 316.405 1.406 50 0 DDAARO CC[C@@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000071859511 406853466 /nfs/dbraw/zinc/85/34/66/406853466.db2.gz MZNZZVBNIJPZSB-ZIAGYGMSSA-N 1 0 300.406 1.911 50 0 DDAARO Cc1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nc2ccccc12 ZINC000071864452 406855754 /nfs/dbraw/zinc/85/57/54/406855754.db2.gz ZYRNBXUMLSHTLE-ZIAGYGMSSA-N 1 0 314.433 1.825 50 0 DDAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877020 406860148 /nfs/dbraw/zinc/86/01/48/406860148.db2.gz YCJOXBGBXGGFBN-HUUCEWRRSA-N 1 0 320.393 1.303 50 0 DDAARO CCc1ncc2c(n1)C[N@@H+](CCC(=O)N1CCCCC1)CC2 ZINC000071880387 406860936 /nfs/dbraw/zinc/86/09/36/406860936.db2.gz QJJJWCFLWISGSU-UHFFFAOYSA-N 1 0 302.422 1.800 50 0 DDAARO CC1(C)C[N@@H+](C2(CNC(=O)c3cn[nH]n3)CCCCC2)CCO1 ZINC000071889141 406862802 /nfs/dbraw/zinc/86/28/02/406862802.db2.gz FKNOTMAZONSXQA-UHFFFAOYSA-N 1 0 321.425 1.348 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cnc(C)cn3)C2)no1 ZINC000072234583 406875287 /nfs/dbraw/zinc/87/52/87/406875287.db2.gz QPLSHEPQGAJCOG-OAHLLOKOSA-N 1 0 316.409 1.573 50 0 DDAARO O=C(CCc1cccs1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269117 406876751 /nfs/dbraw/zinc/87/67/51/406876751.db2.gz GMXFKUYGWVXPNH-GJZGRUSLSA-N 1 0 308.447 1.738 50 0 DDAARO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000072276691 406877023 /nfs/dbraw/zinc/87/70/23/406877023.db2.gz JJWCOKKQTZRSCI-INIZCTEOSA-N 1 0 312.421 1.984 50 0 DDAARO CC[N@H+](C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000072274276 406877807 /nfs/dbraw/zinc/87/78/07/406877807.db2.gz OFBKBTHISGSFKF-HNNXBMFYSA-N 1 0 318.421 1.038 50 0 DDAARO O=C(C[NH+]1CCCCC1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000015075867 406878990 /nfs/dbraw/zinc/87/89/90/406878990.db2.gz GHPUWMOICDEPBD-OAHLLOKOSA-N 1 0 321.465 1.912 50 0 DDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000072298341 406879635 /nfs/dbraw/zinc/87/96/35/406879635.db2.gz BGMAQPUDFIHDNO-DYVFJYSZSA-N 1 0 319.405 1.990 50 0 DDAARO C[NH+](C)CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000072301604 406880481 /nfs/dbraw/zinc/88/04/81/406880481.db2.gz XOHPTWBZVBWMDM-UHFFFAOYSA-N 1 0 300.406 1.889 50 0 DDAARO CN(Cc1ccccc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000071803122 406844339 /nfs/dbraw/zinc/84/43/39/406844339.db2.gz RNLQPBSOSRVMIK-UHFFFAOYSA-N 1 0 318.465 1.856 50 0 DDAARO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CC[NH2+]CC1)O2 ZINC000027518429 406911415 /nfs/dbraw/zinc/91/14/15/406911415.db2.gz UBQNZKMELMBKHG-GOSISDBHSA-N 1 0 318.417 1.833 50 0 DDAARO C[C@H](CNC(=O)c1ccc(F)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000075122173 406923001 /nfs/dbraw/zinc/92/30/01/406923001.db2.gz HZNJDVLLAJFJKR-GFCCVEGCSA-N 1 0 311.376 1.578 50 0 DDAARO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810746 406926618 /nfs/dbraw/zinc/92/66/18/406926618.db2.gz AJQJFKXIQDGNTC-INIZCTEOSA-N 1 0 317.433 1.590 50 0 DDAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000031815135 406942319 /nfs/dbraw/zinc/94/23/19/406942319.db2.gz GCGZTWXQPCHCAG-UHFFFAOYSA-N 1 0 302.378 1.564 50 0 DDAARO Cc1cc(N2CC[NH+](CCC(N)=O)CC2)nc2cc(F)ccc12 ZINC000032558355 406949182 /nfs/dbraw/zinc/94/91/82/406949182.db2.gz CLGZLWXXMSCLNA-UHFFFAOYSA-N 1 0 316.380 1.680 50 0 DDAARO Cc1c(Br)c(C(=O)NCCC[NH+](C)C)nn1C ZINC000032611307 406950332 /nfs/dbraw/zinc/95/03/32/406950332.db2.gz LHHHZCOSSRBXKN-UHFFFAOYSA-N 1 0 303.204 1.173 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ncn(C)c1Cl ZINC000044937468 407033757 /nfs/dbraw/zinc/03/37/57/407033757.db2.gz SSRYZJUPKWCQMP-SNVBAGLBSA-N 1 0 320.846 1.226 50 0 DDAARO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000078773055 407045995 /nfs/dbraw/zinc/04/59/95/407045995.db2.gz HGRHFUXRGILPSO-CQSZACIVSA-N 1 0 312.435 1.202 50 0 DDAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1Br ZINC000037014603 406985365 /nfs/dbraw/zinc/98/53/65/406985365.db2.gz XIMWALCPHCYWHE-HOTUBEGUSA-N 1 0 313.195 1.349 50 0 DDAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000048276379 407093919 /nfs/dbraw/zinc/09/39/19/407093919.db2.gz WQIYNBDNDZUDPP-NSHDSACASA-N 1 0 324.450 1.055 50 0 DDAARO C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CC=CCC3)ccn2)CC1 ZINC000048330595 407094637 /nfs/dbraw/zinc/09/46/37/407094637.db2.gz ONGQKTFGQXAGCU-INIZCTEOSA-N 1 0 314.433 1.806 50 0 DDAARO COCC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000048427039 407098647 /nfs/dbraw/zinc/09/86/47/407098647.db2.gz ITELVORZDLHBKW-UHFFFAOYSA-N 1 0 320.389 1.252 50 0 DDAARO O=C(CCCc1ccccc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436664 407100972 /nfs/dbraw/zinc/10/09/72/407100972.db2.gz MDJWDWJJTWSNHO-GOSISDBHSA-N 1 0 316.445 1.924 50 0 DDAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2cn3ccccc3n2)CC1 ZINC000046947415 407067439 /nfs/dbraw/zinc/06/74/39/407067439.db2.gz XDWFTSQFGDYCOY-CQSZACIVSA-N 1 0 315.421 1.090 50 0 DDAARO COC(=O)[C@@H]1C[C@@]2(c3cc(N)ccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000054969070 407191310 /nfs/dbraw/zinc/19/13/10/407191310.db2.gz UTIANWNXFPNUBS-ZXIHIIQKSA-N 1 0 301.346 1.074 50 0 DDAARO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000050246442 407130123 /nfs/dbraw/zinc/13/01/23/407130123.db2.gz LYGPCSRJTZLLOM-CYBMUJFWSA-N 1 0 312.435 1.752 50 0 DDAARO Cc1cc(CC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)[nH]n1 ZINC000089599109 407141193 /nfs/dbraw/zinc/14/11/93/407141193.db2.gz KHHAARXBNYAIRU-AWEZNQCLSA-N 1 0 320.437 1.410 50 0 DDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCCc1c(F)cccc1F ZINC000089939038 407160620 /nfs/dbraw/zinc/16/06/20/407160620.db2.gz AKWXMGITHBGCBH-GFCCVEGCSA-N 1 0 311.376 1.259 50 0 DDAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1CO ZINC000091933627 407184345 /nfs/dbraw/zinc/18/43/45/407184345.db2.gz SXTKVEYKUMFSPE-HUUCEWRRSA-N 1 0 312.454 1.212 50 0 DDAARO Cc1c(Cl)cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2O)cc1Cl ZINC000095360225 407209350 /nfs/dbraw/zinc/20/93/50/407209350.db2.gz RIZGBBRQPCIMKO-VXGBXAGGSA-N 1 0 303.189 1.754 50 0 DDAARO CCc1[nH+]c(N)nc(N2CCC(c3n[nH]c(C)n3)CC2)c1C ZINC000095376281 407210506 /nfs/dbraw/zinc/21/05/06/407210506.db2.gz RTAVQVBLBFDQTQ-UHFFFAOYSA-N 1 0 301.398 1.740 50 0 DDAARO CC(C)[NH+]1CCC(CC(=O)N(CCO)Cc2nccn2C)CC1 ZINC000095377272 407210764 /nfs/dbraw/zinc/21/07/64/407210764.db2.gz SGOUGAVEEJGOBD-UHFFFAOYSA-N 1 0 322.453 1.252 50 0 DDAARO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]cn1 ZINC000096413242 407261765 /nfs/dbraw/zinc/26/17/65/407261765.db2.gz NXGMITKKAQZWTK-UHFFFAOYSA-N 1 0 322.434 1.552 50 0 DDAARO c1c([C@@H]2CCC[NH2+]C2)nnn1CCc1nc(-c2cccnc2)n[nH]1 ZINC000095385175 407211840 /nfs/dbraw/zinc/21/18/40/407211840.db2.gz NOPORYXPDHTNOW-GFCCVEGCSA-N 1 0 324.392 1.168 50 0 DDAARO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000095380737 407212318 /nfs/dbraw/zinc/21/23/18/407212318.db2.gz SJYWDRDTITXZIG-ZDUSSCGKSA-N 1 0 318.421 1.053 50 0 DDAARO CC(C)C[C@H]([NH2+]C1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000095991757 407221807 /nfs/dbraw/zinc/22/18/07/407221807.db2.gz BWHWZIYMYFGNOF-NSHDSACASA-N 1 0 306.370 1.711 50 0 DDAARO Cc1ccc(CNC(=O)c2ccc(=O)n(CC[NH+](C)C)c2)o1 ZINC000064760450 407239901 /nfs/dbraw/zinc/23/99/01/407239901.db2.gz QTYZDQGISCPWHV-UHFFFAOYSA-N 1 0 303.362 1.241 50 0 DDAARO COc1cccc(-c2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)o2)c1 ZINC000096148658 407240701 /nfs/dbraw/zinc/24/07/01/407240701.db2.gz TYDVCBOLQQLFSB-CQSZACIVSA-N 1 0 316.357 1.673 50 0 DDAARO Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000096435377 407265825 /nfs/dbraw/zinc/26/58/25/407265825.db2.gz YQSRFXONEDIFIT-SNVBAGLBSA-N 1 0 320.397 1.932 50 0 DDAARO CC(C)[C@H](C(=O)NC[C@](C)(O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000096450402 407268248 /nfs/dbraw/zinc/26/82/48/407268248.db2.gz TWGUULUSSRAFST-WBVHZDCISA-N 1 0 322.453 1.254 50 0 DDAARO CN(C)C(=O)c1ccc(F)c(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000097052219 407276781 /nfs/dbraw/zinc/27/67/81/407276781.db2.gz VLMONLCIGYLQRQ-UHFFFAOYSA-N 1 0 322.384 1.697 50 0 DDAARO O=C(Nc1ccncc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000097135939 407281846 /nfs/dbraw/zinc/28/18/46/407281846.db2.gz LNYZGWOFPZBYCE-GFCCVEGCSA-N 1 0 322.384 1.843 50 0 DDAARO CC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000097139966 407282243 /nfs/dbraw/zinc/28/22/43/407282243.db2.gz UCECNVQXRWXHHC-UHFFFAOYSA-N 1 0 305.378 1.284 50 0 DDAARO CCNC(=O)NC[C@H]1CC[N@H+](Cc2cc(O)ccc2OC)C1 ZINC000067754705 407283389 /nfs/dbraw/zinc/28/33/89/407283389.db2.gz SCNHUGRKHQYYOH-GFCCVEGCSA-N 1 0 307.394 1.542 50 0 DDAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000097199369 407286382 /nfs/dbraw/zinc/28/63/82/407286382.db2.gz RJCYOGKTIICZHL-HNNXBMFYSA-N 1 0 323.404 1.487 50 0 DDAARO Cc1cn2c(n1)CC[C@@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C2 ZINC000097199256 407287069 /nfs/dbraw/zinc/28/70/69/407287069.db2.gz VWFZIEFSKMUZSQ-MRXNPFEDSA-N 1 0 318.465 1.991 50 0 DDAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3c(CO)cnc(C)c3O)C2)n1 ZINC000067868832 407288300 /nfs/dbraw/zinc/28/83/00/407288300.db2.gz LDFPMJDWCQHZPD-HNNXBMFYSA-N 1 0 316.405 1.848 50 0 DDAARO COc1ccc2c(cc(C(=O)NC[C@H]3CC[N@H+](C)C3)n2C)c1 ZINC000067965130 407292413 /nfs/dbraw/zinc/29/24/13/407292413.db2.gz WYYJRLRGWSIAQQ-GFCCVEGCSA-N 1 0 301.390 1.868 50 0 DDAARO C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1nnc2n1CC[NH2+]CC2 ZINC000067975777 407293194 /nfs/dbraw/zinc/29/31/94/407293194.db2.gz PFSCIAGMNUGTBQ-NSHDSACASA-N 1 0 324.388 1.396 50 0 DDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccnc2)CC1 ZINC000097595832 407299800 /nfs/dbraw/zinc/29/98/00/407299800.db2.gz YTWQIWKDCBVGHN-HNNXBMFYSA-N 1 0 319.453 1.154 50 0 DDAARO CCn1nc(C)c(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000097610274 407300548 /nfs/dbraw/zinc/30/05/48/407300548.db2.gz IWSZKAREJZPYTM-IRXDYDNUSA-N 1 0 306.454 1.551 50 0 DDAARO COc1cc(F)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000097744829 407302324 /nfs/dbraw/zinc/30/23/24/407302324.db2.gz PBMQQMKVQLSJQT-AWEZNQCLSA-N 1 0 323.412 1.322 50 0 DDAARO COCCN(C(=O)Nc1cncc(C)c1)C1CC[NH+](C)CC1 ZINC000097758085 407302580 /nfs/dbraw/zinc/30/25/80/407302580.db2.gz HGNJDSFETWRIHU-UHFFFAOYSA-N 1 0 306.410 1.965 50 0 DDAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(CCn3cncn3)CC2)o1 ZINC000097823676 407303314 /nfs/dbraw/zinc/30/33/14/407303314.db2.gz 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1 0 312.435 1.850 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000069770347 406767806 /nfs/dbraw/zinc/76/78/06/406767806.db2.gz SHZLBJXXMAEOMH-HUUCEWRRSA-N 1 0 312.454 1.497 50 0 DDAARO COc1ccccc1N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000003305336 406716417 /nfs/dbraw/zinc/71/64/17/406716417.db2.gz IZIXPLHYBWICKA-UHFFFAOYSA-N 1 0 322.478 1.253 50 0 DDAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1F ZINC000069457191 406717681 /nfs/dbraw/zinc/71/76/81/406717681.db2.gz FJCBFWGAGWDVJW-OAHLLOKOSA-N 1 0 321.396 1.498 50 0 DDAARO CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000069510160 406724895 /nfs/dbraw/zinc/72/48/95/406724895.db2.gz RTVONSVNIAMAAX-LSDHHAIUSA-N 1 0 316.405 1.140 50 0 DDAARO CCOCCN1CC[N@H+](CCC(=O)N2CCCCC2)C[C@@H]1C ZINC000069810372 406774463 /nfs/dbraw/zinc/77/44/63/406774463.db2.gz BBCDERHMDJXWHH-INIZCTEOSA-N 1 0 311.470 1.432 50 0 DDAARO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000069873021 406784732 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ZINC000012303993 406840319 /nfs/dbraw/zinc/84/03/19/406840319.db2.gz SJRHUBGOTUIKLM-MRXNPFEDSA-N 1 0 310.344 1.570 50 0 DDAARO COc1ncccc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000071821629 406845988 /nfs/dbraw/zinc/84/59/88/406845988.db2.gz WMRHTSNATNCWFH-ZDUSSCGKSA-N 1 0 319.405 1.416 50 0 DDAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCn2ccnc2)c1 ZINC000012655169 406849583 /nfs/dbraw/zinc/84/95/83/406849583.db2.gz RKXBWBCFXRWBEF-MRXNPFEDSA-N 1 0 303.406 1.920 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)C(F)(F)F)c1 ZINC000071882215 406861012 /nfs/dbraw/zinc/86/10/12/406861012.db2.gz MOZLDSZDICJQNS-NXEZZACHSA-N 1 0 313.345 1.665 50 0 DDAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1 ZINC000071897909 406863474 /nfs/dbraw/zinc/86/34/74/406863474.db2.gz FEEQVVPIBOFYIU-ZDUSSCGKSA-N 1 0 322.840 1.868 50 0 DDAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C/c1ccncc1 ZINC000071904003 406864889 /nfs/dbraw/zinc/86/48/89/406864889.db2.gz WNHHQRLAWGNBCA-SNAWJCMRSA-N 1 0 316.449 1.579 50 0 DDAARO COc1ccc(OC)c([C@@H](O)C[NH2+]CCn2cc(C)cn2)c1 ZINC000072253127 406875172 /nfs/dbraw/zinc/87/51/72/406875172.db2.gz UFDNHZLRGDIMJG-HNNXBMFYSA-N 1 0 305.378 1.532 50 0 DDAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000072268661 406876206 /nfs/dbraw/zinc/87/62/06/406876206.db2.gz OOSXFZYECWROTQ-KGLIPLIRSA-N 1 0 316.467 1.287 50 0 DDAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCC3)C2=O)c1 ZINC000014977036 406877905 /nfs/dbraw/zinc/87/79/05/406877905.db2.gz SHZKUQORMYNNPB-GOSISDBHSA-N 1 0 302.418 1.991 50 0 DDAARO O=C([C@H]1COCCO1)N(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000072277519 406877928 /nfs/dbraw/zinc/87/79/28/406877928.db2.gz KIZSAIOBHOJFLP-QGZVFWFLSA-N 1 0 318.417 1.526 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000072285271 406878460 /nfs/dbraw/zinc/87/84/60/406878460.db2.gz HRYOLZJANLHZDI-NWDGAFQWSA-N 1 0 320.418 1.420 50 0 DDAARO Cc1ccc([C@@H](C[NH2+][C@H]2CCN(C)C2=O)N2CCOCC2)s1 ZINC000072286547 406878474 /nfs/dbraw/zinc/87/84/74/406878474.db2.gz TWXQPJNJNBANHX-UONOGXRCSA-N 1 0 323.462 1.250 50 0 DDAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000072299770 406879392 /nfs/dbraw/zinc/87/93/92/406879392.db2.gz IVEJRBONDNVZLL-JSGCOSHPSA-N 1 0 306.410 1.117 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000072298356 406879540 /nfs/dbraw/zinc/87/95/40/406879540.db2.gz LNFHIGQRCFJXDI-GOEBONIOSA-N 1 0 303.410 1.638 50 0 DDAARO Cc1nn(C)c2nc(C)nc(N3CC(C)(C)[N@@H+](C)C[C@@H]3C)c12 ZINC000072410156 406881804 /nfs/dbraw/zinc/88/18/04/406881804.db2.gz YHIKBAYDUXGNTM-JTQLQIEISA-N 1 0 302.426 1.899 50 0 DDAARO Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599536 406883712 /nfs/dbraw/zinc/88/37/12/406883712.db2.gz VTIWGFQPVZIURV-AWEZNQCLSA-N 1 0 319.430 1.637 50 0 DDAARO O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CCC(O)CC1 ZINC000072794204 406885278 /nfs/dbraw/zinc/88/52/78/406885278.db2.gz WOUWBTJHJWHTIJ-UHFFFAOYSA-N 1 0 310.438 1.441 50 0 DDAARO C[NH+]1CCN(c2ncccc2CNC(=O)C2=CCCCO2)CC1 ZINC000073097158 406888299 /nfs/dbraw/zinc/88/82/99/406888299.db2.gz GMJLVSGOMBADOY-UHFFFAOYSA-N 1 0 316.405 1.144 50 0 DDAARO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000025629747 406899384 /nfs/dbraw/zinc/89/93/84/406899384.db2.gz ZTNDUDGNITYNMD-GFCCVEGCSA-N 1 0 312.373 1.359 50 0 DDAARO CC(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012472432 406845325 /nfs/dbraw/zinc/84/53/25/406845325.db2.gz DMIXZZIMKNVFTL-QGZVFWFLSA-N 1 0 308.397 1.925 50 0 DDAARO Cc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(=O)[nH]1 ZINC000075123999 406922087 /nfs/dbraw/zinc/92/20/87/406922087.db2.gz NYWFARQBTGOHHT-HNNXBMFYSA-N 1 0 305.422 1.924 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)CC2 ZINC000075132689 406924027 /nfs/dbraw/zinc/92/40/27/406924027.db2.gz PHGPQYDDBHUXLR-FZMZJTMJSA-N 1 0 306.797 1.878 50 0 DDAARO C[N@@H+]1CCN(CCNC(=O)C2CCC2)[C@H](c2ccccc2)C1 ZINC000036437891 406980236 /nfs/dbraw/zinc/98/02/36/406980236.db2.gz FAJXAKCURBXTSQ-KRWDZBQOSA-N 1 0 301.434 1.891 50 0 DDAARO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1nc(C)no1 ZINC000032617154 406950772 /nfs/dbraw/zinc/95/07/72/406950772.db2.gz ACOXOTMAAQZVBI-JTQLQIEISA-N 1 0 307.350 1.436 50 0 DDAARO C[C@H]1CCC[N@H+](CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000044534072 407026192 /nfs/dbraw/zinc/02/61/92/407026192.db2.gz RBQBFHCSJOQVAB-AWEZNQCLSA-N 1 0 324.469 1.228 50 0 DDAARO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1-n1cccc1 ZINC000044941763 407035469 /nfs/dbraw/zinc/03/54/69/407035469.db2.gz AIEYIBCIEHXNEI-LSDHHAIUSA-N 1 0 313.405 1.567 50 0 DDAARO O[C@]1(CNCc2csc(Cc3ccccc3)n2)CC[NH2+]C1 ZINC000077299802 406982816 /nfs/dbraw/zinc/98/28/16/406982816.db2.gz ORWBDRPMGRTLHU-MRXNPFEDSA-N 1 0 303.431 1.548 50 0 DDAARO Cc1nccn1CCC(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077320232 406984071 /nfs/dbraw/zinc/98/40/71/406984071.db2.gz ADTNSHVSZBGJKK-QGZVFWFLSA-N 1 0 320.437 1.031 50 0 DDAARO CCc1cc(N2CCOC[C@@H](CO)C2)nc(N2CCCCC2)[nH+]1 ZINC000077323481 406984539 /nfs/dbraw/zinc/98/45/39/406984539.db2.gz LHBUWXQOUGEDDD-CQSZACIVSA-N 1 0 320.437 1.474 50 0 DDAARO Cc1[nH]c2c(c1CC(=O)N[C@@H]1CC[NH2+]C[C@H]1O)c(C)ccc2C ZINC000077394357 406989254 /nfs/dbraw/zinc/98/92/54/406989254.db2.gz YUWQMBWBSIYYQK-HUUCEWRRSA-N 1 0 315.417 1.475 50 0 DDAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCOC[C@@H](CO)C1 ZINC000077440551 406991102 /nfs/dbraw/zinc/99/11/02/406991102.db2.gz NTJWTYYMOHEVMO-MRXNPFEDSA-N 1 0 318.417 1.363 50 0 DDAARO C[C@@H](COc1ccccc1)N1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077486627 406992615 /nfs/dbraw/zinc/99/26/15/406992615.db2.gz WKPXIOSTZPUARM-LBPRGKRZSA-N 1 0 303.362 1.128 50 0 DDAARO COc1ccc2n[nH]c(C[NH+]3CCC(CNC(C)=O)CC3)c2c1 ZINC000077503473 406993926 /nfs/dbraw/zinc/99/39/26/406993926.db2.gz WETQJFKBGKZFAI-UHFFFAOYSA-N 1 0 316.405 1.920 50 0 DDAARO Cc1cc(N2CCN(C)[C@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000039551842 407002207 /nfs/dbraw/zinc/00/22/07/407002207.db2.gz PEMYSMYEIJNGKN-OAHLLOKOSA-N 1 0 319.453 1.278 50 0 DDAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000040480030 407003423 /nfs/dbraw/zinc/00/34/23/407003423.db2.gz ZRJOSFORYBDVKI-INIZCTEOSA-N 1 0 315.417 1.620 50 0 DDAARO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccnc2)C1(C)C ZINC000084800699 407094399 /nfs/dbraw/zinc/09/43/99/407094399.db2.gz OQOHIHOGMSFCCE-CABCVRRESA-N 1 0 305.422 1.833 50 0 DDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC000048302360 407095159 /nfs/dbraw/zinc/09/51/59/407095159.db2.gz GQTLSSKFOARQMN-ZIAGYGMSSA-N 1 0 307.394 1.752 50 0 DDAARO C[C@H]1C[NH+](CCCNC(=O)NCc2cccc(O)c2)C[C@H](C)O1 ZINC000079727961 407061873 /nfs/dbraw/zinc/06/18/73/407061873.db2.gz XUZIZSCPYLOYNF-KBPBESRZSA-N 1 0 321.421 1.691 50 0 DDAARO CN1CCO[C@@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000089385667 407132607 /nfs/dbraw/zinc/13/26/07/407132607.db2.gz LKIUWXFHIVIGMC-LSDHHAIUSA-N 1 0 307.369 1.169 50 0 DDAARO C[C@@H](Cc1cccs1)[N@H+](C)CC(=O)N[C@@H]1CCSC1=O ZINC000089904275 407157526 /nfs/dbraw/zinc/15/75/26/407157526.db2.gz ACBFUKJPPOXMRQ-CMPLNLGQSA-N 1 0 312.460 1.759 50 0 DDAARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC000089920173 407158682 /nfs/dbraw/zinc/15/86/82/407158682.db2.gz QMUSPZADJJQRRG-DZGCQCFKSA-N 1 0 320.499 1.435 50 0 DDAARO CC1(C)[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H]2CCO[C@@H]21 ZINC000089917435 407158744 /nfs/dbraw/zinc/15/87/44/407158744.db2.gz KUMLBHWFNYVVIN-TUVASFSCSA-N 1 0 307.438 1.583 50 0 DDAARO COCc1ccc(CNC(=O)CN2CC[N@H+](C)C[C@H]2C)cc1 ZINC000089939062 407161158 /nfs/dbraw/zinc/16/11/58/407161158.db2.gz WSEJFKFOUJNEHO-CQSZACIVSA-N 1 0 305.422 1.085 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000053254469 407166099 /nfs/dbraw/zinc/16/60/99/407166099.db2.gz JZPTZEZFPGUMBB-SECBINFHSA-N 1 0 308.325 1.736 50 0 DDAARO CC(C)[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1NS(C)(=O)=O ZINC000091997634 407185787 /nfs/dbraw/zinc/18/57/87/407185787.db2.gz RNKWRTFPCJQLSQ-SJORKVTESA-N 1 0 322.474 1.659 50 0 DDAARO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(C)cc2)C1 ZINC000096413340 407261099 /nfs/dbraw/zinc/26/10/99/407261099.db2.gz ZPKDTHQNFIEFLS-INIZCTEOSA-N 1 0 305.422 1.557 50 0 DDAARO Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000096412702 407261277 /nfs/dbraw/zinc/26/12/77/407261277.db2.gz DPIVZSPAGOESNI-AWEZNQCLSA-N 1 0 303.406 1.621 50 0 DDAARO CCc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000096410737 407261303 /nfs/dbraw/zinc/26/13/03/407261303.db2.gz FCHBHRGTXWSFQW-OAHLLOKOSA-N 1 0 303.406 1.644 50 0 DDAARO [NH3+][C@H]1CCN(C(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716941 407203566 /nfs/dbraw/zinc/20/35/66/407203566.db2.gz YIWMBUIXYKYARC-ZETCQYMHSA-N 1 0 305.122 1.901 50 0 DDAARO CCc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000096410736 407261580 /nfs/dbraw/zinc/26/15/80/407261580.db2.gz FCHBHRGTXWSFQW-HNNXBMFYSA-N 1 0 303.406 1.644 50 0 DDAARO CC1(C)[C@H](NC(=O)NCC[N@H+](CC2CC2)C2CC2)[C@@H]2CCO[C@@H]21 ZINC000095400959 407213213 /nfs/dbraw/zinc/21/32/13/407213213.db2.gz HAWKUIGVCIJIHB-XHSDSOJGSA-N 1 0 321.465 1.974 50 0 DDAARO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000095420341 407213471 /nfs/dbraw/zinc/21/34/71/407213471.db2.gz FMWOCWDGRKQWGD-LBPRGKRZSA-N 1 0 306.472 1.594 50 0 DDAARO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000095969098 407218756 /nfs/dbraw/zinc/21/87/56/407218756.db2.gz CZTJTLQJGCBVLH-CJNGLKHVSA-N 1 0 308.397 1.984 50 0 DDAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095985127 407221187 /nfs/dbraw/zinc/22/11/87/407221187.db2.gz PGOHDOVLUITIGP-RQJABVFESA-N 1 0 316.467 1.237 50 0 DDAARO CNC(=O)COc1ccccc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254242 407230071 /nfs/dbraw/zinc/23/00/71/407230071.db2.gz XODCCDQYVKHOFP-AWEZNQCLSA-N 1 0 316.405 1.434 50 0 DDAARO C[NH+](C)CCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 ZINC000096136609 407239575 /nfs/dbraw/zinc/23/95/75/407239575.db2.gz OYVYNTBCEXZIJK-UHFFFAOYSA-N 1 0 300.362 1.227 50 0 DDAARO Cc1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1N(C)C ZINC000065419358 407242813 /nfs/dbraw/zinc/24/28/13/407242813.db2.gz RYQLGQGROUBRNV-HNNXBMFYSA-N 1 0 319.453 1.906 50 0 DDAARO Cc1nccn1CCCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096437567 407266970 /nfs/dbraw/zinc/26/69/70/407266970.db2.gz OAOUHZYLNURPGK-UHFFFAOYSA-N 1 0 319.453 1.898 50 0 DDAARO C[C@@H]1COCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000096452409 407268121 /nfs/dbraw/zinc/26/81/21/407268121.db2.gz XOPYYCXXKVXIBD-CYBMUJFWSA-N 1 0 309.385 1.688 50 0 DDAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)C1 ZINC000067803482 407285239 /nfs/dbraw/zinc/28/52/39/407285239.db2.gz OPXUCUYFHCKQIH-CQSZACIVSA-N 1 0 313.401 1.795 50 0 DDAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000097179316 407285425 /nfs/dbraw/zinc/28/54/25/407285425.db2.gz AONMLPIZCAUXNN-GFCCVEGCSA-N 1 0 302.378 1.269 50 0 DDAARO Cc1ccc(OCC(N)=O)c(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000067869333 407287978 /nfs/dbraw/zinc/28/79/78/407287978.db2.gz ZIDZMWLLJWMGFH-ZDUSSCGKSA-N 1 0 312.369 1.788 50 0 DDAARO [NH3+]C[C@H]1CN(C(=O)c2cnc(Nc3ccccc3)nc2)CCO1 ZINC000067895756 407288868 /nfs/dbraw/zinc/28/88/68/407288868.db2.gz NFMJIAVIJHQQPP-AWEZNQCLSA-N 1 0 313.361 1.020 50 0 DDAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cscn1 ZINC000097237895 407289212 /nfs/dbraw/zinc/28/92/12/407289212.db2.gz UBLHMXGEMOHALL-CQSZACIVSA-N 1 0 317.414 1.640 50 0 DDAARO C[N@@H+]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@H](O)C1 ZINC000097360089 407292376 /nfs/dbraw/zinc/29/23/76/407292376.db2.gz QCUKSJSNLUTFRC-GFCCVEGCSA-N 1 0 307.781 1.570 50 0 DDAARO COc1cc2c(cc1C[NH+]1CCC3(C[C@H](O)CO3)CC1)OCO2 ZINC000097681971 407301567 /nfs/dbraw/zinc/30/15/67/407301567.db2.gz IQNHSPRLPFLSDN-ZDUSSCGKSA-N 1 0 321.373 1.540 50 0 DDAARO CC(=O)Nc1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000097797788 407303149 /nfs/dbraw/zinc/30/31/49/407303149.db2.gz XSMURUCSKPOALT-UHFFFAOYSA-N 1 0 317.433 1.942 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000122730755 407308993 /nfs/dbraw/zinc/30/89/93/407308993.db2.gz HXJQWQXEDISLJG-MRVPVSSYSA-N 1 0 323.187 1.310 50 0 DDAARO CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000125085306 407378816 /nfs/dbraw/zinc/37/88/16/407378816.db2.gz GLSKLXQIWGMJTG-LBPRGKRZSA-N 1 0 303.815 1.050 50 0 DDAARO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)noc2C)C1 ZINC000108184030 407382382 /nfs/dbraw/zinc/38/23/82/407382382.db2.gz DRYIDVJYLYJBMD-RISCZKNCSA-N 1 0 309.410 1.655 50 0 DDAARO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111713355 407415572 /nfs/dbraw/zinc/41/55/72/407415572.db2.gz AYDMWHCJXKIQTF-NEPJUHHUSA-N 1 0 300.399 1.882 50 0 DDAARO Cc1nn(C)c(C)c1OCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000170677155 407472605 /nfs/dbraw/zinc/47/26/05/407472605.db2.gz KBLSNQYIZNSZOV-UHFFFAOYSA-N 1 0 322.453 1.844 50 0 DDAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000215471316 407483472 /nfs/dbraw/zinc/48/34/72/407483472.db2.gz ORKKKCYHNKCGCZ-AWEZNQCLSA-N 1 0 324.446 1.227 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000178541588 407487016 /nfs/dbraw/zinc/48/70/16/407487016.db2.gz IGOJZLOYKGVPSB-WBVHZDCISA-N 1 0 319.424 1.987 50 0 DDAARO COc1cc(Cl)ccc1C(=O)N1C[C@@H](CO)[C@H]([NH+](C)C)C1 ZINC000257189332 407488690 /nfs/dbraw/zinc/48/86/90/407488690.db2.gz NQLIXZCATUGGTJ-GXFFZTMASA-N 1 0 312.797 1.343 50 0 DDAARO CN(Cc1nnc[nH]1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000253416321 407443628 /nfs/dbraw/zinc/44/36/28/407443628.db2.gz AWKWNZVPELKFAW-INIZCTEOSA-N 1 0 315.421 1.528 50 0 DDAARO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccncn2)cc1 ZINC000253420916 407446585 /nfs/dbraw/zinc/44/65/85/407446585.db2.gz JKYJJGVVNMSGDK-CQSZACIVSA-N 1 0 315.377 1.910 50 0 DDAARO Cc1cc(=O)n(CC[N@H+](CC2CCC2)C[C@H]2CCCO2)c(=O)[nH]1 ZINC000253536627 407455396 /nfs/dbraw/zinc/45/53/96/407455396.db2.gz IVICUSQDUYHXQN-OAHLLOKOSA-N 1 0 321.421 1.538 50 0 DDAARO CN(CCCOc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000152373930 407622338 /nfs/dbraw/zinc/62/23/38/407622338.db2.gz COJZUJBVCMDKGB-JSGCOSHPSA-N 1 0 312.797 1.290 50 0 DDAARO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000229170048 407656775 /nfs/dbraw/zinc/65/67/75/407656775.db2.gz UCKAAXSDQKDVIT-KGLIPLIRSA-N 1 0 304.394 1.516 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C[C@@H]1[NH+](C)C ZINC000229302303 407657891 /nfs/dbraw/zinc/65/78/91/407657891.db2.gz MGFQXSNFWNLOOC-HNJNHCNJSA-N 1 0 316.401 1.567 50 0 DDAARO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000229447370 407663083 /nfs/dbraw/zinc/66/30/83/407663083.db2.gz RXJGPSDJGDVBNL-IUODEOHRSA-N 1 0 316.405 1.550 50 0 DDAARO O=S(=O)(c1ccc(Cl)cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770572 407765238 /nfs/dbraw/zinc/76/52/38/407765238.db2.gz BUOPBBABDLJDOS-LLVKDONJSA-N 1 0 318.801 1.948 50 0 DDAARO [NH3+][C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000179575006 407808798 /nfs/dbraw/zinc/80/87/98/407808798.db2.gz YMZXZBGPTGMXNF-SNVBAGLBSA-N 1 0 323.194 1.793 50 0 DDAARO Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2=O)cc1 ZINC000237762192 407842084 /nfs/dbraw/zinc/84/20/84/407842084.db2.gz MKBFAKVJCFSSBJ-ZFWWWQNUSA-N 1 0 301.390 1.168 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H](C)[NH2+]1 ZINC000153759162 407895410 /nfs/dbraw/zinc/89/54/10/407895410.db2.gz LDDLXTMAPGGHEF-TXEJJXNPSA-N 1 0 302.378 1.039 50 0 DDAARO Cc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000240333466 407907278 /nfs/dbraw/zinc/90/72/78/407907278.db2.gz FDLAHFZVEHBCNA-HNNXBMFYSA-N 1 0 302.378 1.947 50 0 DDAARO Cc1nc(F)ccc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000241173096 407910133 /nfs/dbraw/zinc/91/01/33/407910133.db2.gz KGASPPPXFHQQOG-ZDUSSCGKSA-N 1 0 303.341 1.158 50 0 DDAARO C[NH+](C)C[C@H]1CN(C(=O)c2cc(C3CCCCC3)n[nH]2)CCO1 ZINC000135018118 407964351 /nfs/dbraw/zinc/96/43/51/407964351.db2.gz DOQBFGLJEFBYRB-AWEZNQCLSA-N 1 0 320.437 1.860 50 0 DDAARO CC(=O)Nc1ccccc1NC(=O)CN(C)CC(C)(C)CO ZINC000244741841 407935495 /nfs/dbraw/zinc/93/54/95/407935495.db2.gz NXWNPSFTCTZDHH-UHFFFAOYSA-N 1 0 307.394 1.534 50 0 DDAARO C[N@H+](CC[C@@H]1CCCCO1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000244795737 407938086 /nfs/dbraw/zinc/93/80/86/407938086.db2.gz RMSFIIWDJLVZOF-HNNXBMFYSA-N 1 0 319.405 1.615 50 0 DDAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244773897 407939513 /nfs/dbraw/zinc/93/95/13/407939513.db2.gz PIKUVAVBGIFISP-GOEBONIOSA-N 1 0 312.421 1.783 50 0 DDAARO C[C@@H]1CN(C(=O)c2cccc(N3CCCNC3=O)c2)C[C@@H](C)[NH2+]1 ZINC000154275969 408008647 /nfs/dbraw/zinc/00/86/47/408008647.db2.gz ZXRNUSXZGIEYJB-CHWSQXEVSA-N 1 0 316.405 1.429 50 0 DDAARO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000247730904 408506911 /nfs/dbraw/zinc/50/69/11/408506911.db2.gz HFQOHCQKYAXMMO-DLBZAZTESA-N 1 0 309.406 1.037 50 0 DDAARO Cc1ncc(C[N@H+](C)C[C@H](O)COC[C@H]2CCCO2)s1 ZINC000247979583 408523595 /nfs/dbraw/zinc/52/35/95/408523595.db2.gz WRDBKMAOUORGOC-QWHCGFSZSA-N 1 0 300.424 1.440 50 0 DDAARO COC[C@@H]1CCC[N@@H+]1CCN1CCN(c2ccccc2)CC1 ZINC000252482434 408796915 /nfs/dbraw/zinc/79/69/15/408796915.db2.gz DFHJIBPMYJYMEU-SFHVURJKSA-N 1 0 303.450 1.919 50 0 DDAARO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280364299 409299318 /nfs/dbraw/zinc/29/93/18/409299318.db2.gz YJVJGPAFFHACHJ-XJKSGUPXSA-N 1 0 302.374 1.593 50 0 DDAARO CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CC[NH2+]C2 ZINC000299754975 410604933 /nfs/dbraw/zinc/60/49/33/410604933.db2.gz ANAGCDKCCSMXCX-UHFFFAOYSA-N 1 0 314.389 1.487 50 0 DDAARO CCOC(=O)CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC000299757337 410609798 /nfs/dbraw/zinc/60/97/98/410609798.db2.gz LYSOMPIDCSIMFY-OAHLLOKOSA-N 1 0 319.405 1.506 50 0 DDAARO Cc1cccc(N2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000299771695 410617329 /nfs/dbraw/zinc/61/73/29/410617329.db2.gz VSMIWNFPOBANGK-INIZCTEOSA-N 1 0 303.406 1.068 50 0 DDAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000299787431 410628779 /nfs/dbraw/zinc/62/87/79/410628779.db2.gz NOJZLTKQISNNHS-NSHDSACASA-N 1 0 303.366 1.263 50 0 DDAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(O)cc2F)C1 ZINC000299796943 410634684 /nfs/dbraw/zinc/63/46/84/410634684.db2.gz RJXOIWLGDWTQHX-GFCCVEGCSA-N 1 0 310.369 1.620 50 0 DDAARO CO[C@]12CC[N@H+](CCn3nccc3C)[C@H]1C[C@H](OCCO)CC2 ZINC000299793392 410635056 /nfs/dbraw/zinc/63/50/56/410635056.db2.gz GKODGIIKHBVSSA-IXDOHACOSA-N 1 0 323.437 1.212 50 0 DDAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(-c2ccccc2F)no1 ZINC000299802010 410638377 /nfs/dbraw/zinc/63/83/77/410638377.db2.gz ZSLIPURAJOKKSR-NSHDSACASA-N 1 0 319.336 1.475 50 0 DDAARO COc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cn1 ZINC000131637820 196186449 /nfs/dbraw/zinc/18/64/49/196186449.db2.gz XQLRFZSIBKNIPY-INIZCTEOSA-N 1 0 305.422 1.634 50 0 DDAARO COc1ccc(-c2cnc(CCC(=O)N3CC[C@H]([NH3+])C3)o2)cc1 ZINC000132207420 196235655 /nfs/dbraw/zinc/23/56/55/196235655.db2.gz DSSLCOSMSOMHSN-ZDUSSCGKSA-N 1 0 315.373 1.842 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ccccn2)c1C ZINC000046112861 418445827 /nfs/dbraw/zinc/44/58/27/418445827.db2.gz LSKNJAFUAGJDOZ-UHFFFAOYSA-N 1 0 301.394 1.647 50 0 DDAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCO2)CC1 ZINC000046935046 418450418 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ZINC000122954038 696726880 /nfs/dbraw/zinc/72/68/80/696726880.db2.gz BHECOMIEXYPKER-UHFFFAOYSA-N 1 0 305.426 1.093 50 0 DDAARO Cc1cccnc1CN1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000071681354 696392314 /nfs/dbraw/zinc/39/23/14/696392314.db2.gz KIZLFLODWIGCNS-OAHLLOKOSA-N 1 0 304.438 1.408 50 0 DDAARO CCn1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000077536757 696440856 /nfs/dbraw/zinc/44/08/56/696440856.db2.gz ZKKPILRKXNRUFY-CQSZACIVSA-N 1 0 320.437 1.476 50 0 DDAARO CCC(C)(C)NC(=O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083414143 696552476 /nfs/dbraw/zinc/55/24/76/696552476.db2.gz MLFDGKWIASXVAF-OAHLLOKOSA-N 1 0 312.454 1.951 50 0 DDAARO CCc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cc1 ZINC000169751087 697343713 /nfs/dbraw/zinc/34/37/13/697343713.db2.gz RZAGYHUOELNBLY-QZTJIDSGSA-N 1 0 316.445 1.958 50 0 DDAARO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1ocnc1C)CC2 ZINC000169782500 697345288 /nfs/dbraw/zinc/34/52/88/697345288.db2.gz GEJNDATUBFMJPF-CYBMUJFWSA-N 1 0 307.394 1.413 50 0 DDAARO O=C(CC1CCCC1)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169791922 697346656 /nfs/dbraw/zinc/34/66/56/697346656.db2.gz CODBOJZBIXNKDO-HNNXBMFYSA-N 1 0 319.449 1.380 50 0 DDAARO CC(C)S(=O)(=O)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC000169792695 697346753 /nfs/dbraw/zinc/34/67/53/697346753.db2.gz UTXHNCGYKXAFDV-UHFFFAOYSA-N 1 0 304.456 1.300 50 0 DDAARO CC[C@@]1(N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000169792250 697346760 /nfs/dbraw/zinc/34/67/60/697346760.db2.gz INWGSQVICPXXDR-MRXNPFEDSA-N 1 0 323.462 1.135 50 0 DDAARO COc1ccnc(N2CCN(CCC[NH+]3CCCC3)CC2)n1 ZINC000179268092 697435834 /nfs/dbraw/zinc/43/58/34/697435834.db2.gz UHCMBCPYJGOVMC-UHFFFAOYSA-N 1 0 305.426 1.093 50 0 DDAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(CO)c1 ZINC000318808857 698707191 /nfs/dbraw/zinc/70/71/91/698707191.db2.gz NZASEZFESSPAFG-INIZCTEOSA-N 1 0 300.358 1.071 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]([NH3+])[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528492 716612790 /nfs/dbraw/zinc/61/27/90/716612790.db2.gz 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C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)c2ccc(F)cc2O1 ZINC000237580204 202291902 /nfs/dbraw/zinc/29/19/02/202291902.db2.gz KSHHHVYHAQERCW-YPMHNXCESA-N 1 0 308.353 1.708 50 0 DDAARO C[C@H]1CCCN(C(=O)CCOc2cccc(C(N)=O)c2)[C@H]1C[NH3+] ZINC000237690145 202328328 /nfs/dbraw/zinc/32/83/28/202328328.db2.gz QWAYEOLVPNPDQT-WFASDCNBSA-N 1 0 319.405 1.140 50 0 DDAARO C[C@@H]1COCC[C@@H]1Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000195083182 201336777 /nfs/dbraw/zinc/33/67/77/201336777.db2.gz ZMISTYRLBBYHCV-XOKHGSTOSA-N 1 0 317.433 1.973 50 0 DDAARO [NH3+]CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000091390805 193048448 /nfs/dbraw/zinc/04/84/48/193048448.db2.gz NOGLJDRXLPZXLJ-ZDUSSCGKSA-N 1 0 320.343 1.993 50 0 DDAARO COc1ccc([C@@H]2CN(Cc3nccn3C)C[C@H]2[NH+](C)C)cc1 ZINC000091416622 193053181 /nfs/dbraw/zinc/05/31/81/193053181.db2.gz VXWGYUUHNHGPFP-DLBZAZTESA-N 1 0 314.433 1.958 50 0 DDAARO COc1ccc(-c2cc(C(=O)N3CC[C@H](C[NH3+])C3)[nH]n2)cc1 ZINC000092062521 193151283 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CCn1nc(C)c(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1C ZINC000096494777 193670996 /nfs/dbraw/zinc/67/09/96/193670996.db2.gz MCYISYOTXYKVQH-AWEZNQCLSA-N 1 0 309.410 1.532 50 0 DDAARO CC[NH+]1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000019361271 182119059 /nfs/dbraw/zinc/11/90/59/182119059.db2.gz BUTVGCHSCQGEIQ-AWEZNQCLSA-N 1 0 324.421 1.081 50 0 DDAARO CC[NH+]1CCN(CCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000019528174 182127876 /nfs/dbraw/zinc/12/78/76/182127876.db2.gz HRZWMSUEPWIQOI-UHFFFAOYSA-N 1 0 305.422 1.970 50 0 DDAARO CCc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)o1 ZINC000019743853 182141880 /nfs/dbraw/zinc/14/18/80/182141880.db2.gz VSQOJJOOIJSCJF-IAGOWNOFSA-N 1 0 307.438 1.025 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(N)ccc1Cl ZINC000019984502 182173686 /nfs/dbraw/zinc/17/36/86/182173686.db2.gz YGGSRRLGBFEKRX-NSHDSACASA-N 1 0 317.842 1.685 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(N)ccc1Cl ZINC000019984498 182173732 /nfs/dbraw/zinc/17/37/32/182173732.db2.gz YGGSRRLGBFEKRX-LLVKDONJSA-N 1 0 317.842 1.685 50 0 DDAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000020102889 182186710 /nfs/dbraw/zinc/18/67/10/182186710.db2.gz ORJQHNCETJDXLL-UHFFFAOYSA-N 1 0 315.461 1.981 50 0 DDAARO CCN(CC)CC[NH2+]C[C@H]1c2cc(O)c(OC)cc2CCN1C ZINC000022026997 182304471 /nfs/dbraw/zinc/30/44/71/182304471.db2.gz RIEVIAZFKJDEBZ-INIZCTEOSA-N 1 0 321.465 1.861 50 0 DDAARO C[NH+]1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000022999077 182344334 /nfs/dbraw/zinc/34/43/34/182344334.db2.gz UCMJSMQXDDLDTM-UHFFFAOYSA-N 1 0 323.824 1.414 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000034915945 182744275 /nfs/dbraw/zinc/74/42/75/182744275.db2.gz MJGULFHKLMPJCG-CQSZACIVSA-N 1 0 319.405 1.230 50 0 DDAARO COc1cc(C[NH2+]CC(=O)N2CCCC2)cc2c1OCCO2 ZINC000040091405 183033506 /nfs/dbraw/zinc/03/35/06/183033506.db2.gz QWMSCNQLNRRMTR-UHFFFAOYSA-N 1 0 306.362 1.178 50 0 DDAARO Cc1noc(C)c1S(=O)(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000040105671 183035472 /nfs/dbraw/zinc/03/54/72/183035472.db2.gz 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/nfs/dbraw/zinc/08/99/04/184089904.db2.gz ATLYXSLKXLGDHL-UHFFFAOYSA-N 1 0 303.406 1.672 50 0 DDAARO c1ccc2c3nnnn3c(SCC[NH+]3CCCC3)nc2c1 ZINC000058158962 184082327 /nfs/dbraw/zinc/08/23/27/184082327.db2.gz IQINMAGZWLCUHJ-UHFFFAOYSA-N 1 0 300.391 1.860 50 0 DDAARO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000058310297 184103542 /nfs/dbraw/zinc/10/35/42/184103542.db2.gz IBMLGQKDFRIQSN-PWSUYJOCSA-N 1 0 318.352 1.929 50 0 DDAARO COc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058308856 184103670 /nfs/dbraw/zinc/10/36/70/184103670.db2.gz JYXYYLWZZSGLFN-JSGCOSHPSA-N 1 0 302.378 1.257 50 0 DDAARO COc1c(C[NH2+]CCNC(=O)c2ccccc2)c(C)nn1C ZINC000058428941 184117183 /nfs/dbraw/zinc/11/71/83/184117183.db2.gz DZANBHYEROQFHG-UHFFFAOYSA-N 1 0 302.378 1.257 50 0 DDAARO COCC[N@@H+]1CC[C@H](CNC(=O)NCCc2ccccc2)C1 ZINC000063813794 184289460 /nfs/dbraw/zinc/28/94/60/184289460.db2.gz LIWBYGHJOPRHAU-MRXNPFEDSA-N 1 0 305.422 1.497 50 0 DDAARO Cc1c(C[NH+]2CCC3(CC2)OCCO3)nnn1-c1ccccc1 ZINC000065239685 184316933 /nfs/dbraw/zinc/31/69/33/184316933.db2.gz ZITOFZZFWWJUNL-UHFFFAOYSA-N 1 0 314.389 1.915 50 0 DDAARO CCOc1ccccc1NC(=O)CC(=O)N1CCC[NH2+]CC1 ZINC000065433710 184344334 /nfs/dbraw/zinc/34/43/34/184344334.db2.gz BPGGXYXGFJDZMG-UHFFFAOYSA-N 1 0 305.378 1.236 50 0 DDAARO OCCn1c2ccccc2nc1N1CC[NH+](CC2CC2)CC1 ZINC000065490128 184353621 /nfs/dbraw/zinc/35/36/21/184353621.db2.gz FBTXMTFJHBGVPT-UHFFFAOYSA-N 1 0 300.406 1.561 50 0 DDAARO C[NH+]1CCN(CCNC(=O)CCc2ccccc2Cl)CC1 ZINC000065563360 184366709 /nfs/dbraw/zinc/36/67/09/184366709.db2.gz XCZVOPMKLXKEBM-UHFFFAOYSA-N 1 0 309.841 1.636 50 0 DDAARO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000065608138 184372265 /nfs/dbraw/zinc/37/22/65/184372265.db2.gz FUGXXDYDUSPTRR-HNNXBMFYSA-N 1 0 308.422 1.453 50 0 DDAARO COc1c(C[NH2+]CCNc2ncccn2)c(C(C)C)nn1C ZINC000065514495 184358169 /nfs/dbraw/zinc/35/81/69/184358169.db2.gz LGSFPHATXMVWBS-UHFFFAOYSA-N 1 0 304.398 1.544 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000156514450 197120076 /nfs/dbraw/zinc/12/00/76/197120076.db2.gz GLYOIDIHJVXKQI-OLZOCXBDSA-N 1 0 303.410 1.276 50 0 DDAARO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](C2CCCCC2)C1 ZINC000349858886 257236197 /nfs/dbraw/zinc/23/61/97/257236197.db2.gz SHXLQFXJDSITTB-SJORKVTESA-N 1 0 321.465 1.184 50 0 DDAARO C[C@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)CC[NH2+]1 ZINC000237571988 257238819 /nfs/dbraw/zinc/23/88/19/257238819.db2.gz DSJHDPZNOGQYMJ-ZDUSSCGKSA-N 1 0 301.390 1.243 50 0 DDAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000237636826 257238938 /nfs/dbraw/zinc/23/89/38/257238938.db2.gz QSCYZNPVFPWJBE-GXTWGEPZSA-N 1 0 323.462 1.569 50 0 DDAARO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCN1Cc1nccn1C ZINC000229367925 257260305 /nfs/dbraw/zinc/26/03/05/257260305.db2.gz IAVWJPCIVUYSCI-DOTOQJQBSA-N 1 0 314.433 1.660 50 0 DDAARO COCc1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000071830975 184860031 /nfs/dbraw/zinc/86/00/31/184860031.db2.gz 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/nfs/dbraw/zinc/74/12/18/406741218.db2.gz OMFOODBDJWUXIE-UHFFFAOYSA-N 1 0 310.394 1.071 50 0 DDAARO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000069656319 406752385 /nfs/dbraw/zinc/75/23/85/406752385.db2.gz BBSMFYWBLKIXIL-UHFFFAOYSA-N 1 0 313.423 1.393 50 0 DDAARO O=c1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)nc2ccccn12 ZINC000069662655 406755029 /nfs/dbraw/zinc/75/50/29/406755029.db2.gz JBHNFTPPZNNTSP-CQSZACIVSA-N 1 0 324.388 1.198 50 0 DDAARO O=C(C[N@@H+](CCO)[C@H]1CCc2ccccc21)NCC(F)(F)F ZINC000069739402 406764609 /nfs/dbraw/zinc/76/46/09/406764609.db2.gz ZXBVWLPISVNKML-ZDUSSCGKSA-N 1 0 316.323 1.647 50 0 DDAARO CN1CCO[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000069384212 406706217 /nfs/dbraw/zinc/70/62/17/406706217.db2.gz JJPLUPVGNCFRLL-JTQLQIEISA-N 1 0 305.241 1.931 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cccn3)nc1)CN2 ZINC000069385821 406706597 /nfs/dbraw/zinc/70/65/97/406706597.db2.gz AWFJFYANFXNFKC-HNNXBMFYSA-N 1 0 323.404 1.604 50 0 DDAARO CC(=O)NCCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000069453345 406714652 /nfs/dbraw/zinc/71/46/52/406714652.db2.gz COYZNZNZILEEQH-KRWDZBQOSA-N 1 0 317.433 1.336 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cnc(C)s3)C2)no1 ZINC000069849087 406780167 /nfs/dbraw/zinc/78/01/67/406780167.db2.gz REVLVFFKPYLKOF-GFCCVEGCSA-N 1 0 307.423 1.897 50 0 DDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000069847141 406780700 /nfs/dbraw/zinc/78/07/00/406780700.db2.gz CULDQMNMNGKTGZ-INIZCTEOSA-N 1 0 316.449 1.859 50 0 DDAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000069814877 406776893 /nfs/dbraw/zinc/77/68/93/406776893.db2.gz ZZTGTGYEHMKHBK-DOMZBBRYSA-N 1 0 300.349 1.261 50 0 DDAARO O[C@@H](COc1ccccc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069872318 406784302 /nfs/dbraw/zinc/78/43/02/406784302.db2.gz YUFBQJYPDJNMGW-JKSUJKDBSA-N 1 0 316.405 1.430 50 0 DDAARO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1C ZINC000069879002 406786235 /nfs/dbraw/zinc/78/62/35/406786235.db2.gz HMIJIDSSMVVYTL-CQSZACIVSA-N 1 0 319.449 1.617 50 0 DDAARO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C1Cc2ccccc2C1 ZINC000071824832 406847526 /nfs/dbraw/zinc/84/75/26/406847526.db2.gz NUZUBFRQDJXSMB-UHFFFAOYSA-N 1 0 315.417 1.806 50 0 DDAARO Cn1ncc2c1CCC[C@H]2NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071856642 406853896 /nfs/dbraw/zinc/85/38/96/406853896.db2.gz LWNBZNUOWXPFNO-OAHLLOKOSA-N 1 0 319.453 1.971 50 0 DDAARO Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000071856619 406853937 /nfs/dbraw/zinc/85/39/37/406853937.db2.gz YWKLNGWGLXIPCJ-OLZOCXBDSA-N 1 0 309.435 1.719 50 0 DDAARO COC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000071888999 406862352 /nfs/dbraw/zinc/86/23/52/406862352.db2.gz ZRPOVJQCCKSXRN-LBPRGKRZSA-N 1 0 302.374 1.687 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccc(NS(C)(=O)=O)cc2)CCS1 ZINC000071897082 406863811 /nfs/dbraw/zinc/86/38/11/406863811.db2.gz JSYOLJIDWBLXDQ-LLVKDONJSA-N 1 0 300.449 1.995 50 0 DDAARO C[NH+]1CCN(CCNC(=O)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000071899386 406864127 /nfs/dbraw/zinc/86/41/27/406864127.db2.gz FJSPMNGMNQOZOE-MRXNPFEDSA-N 1 0 315.461 1.545 50 0 DDAARO CC1(C)CC(NC(=O)C(=O)Nc2ccncc2)CC(C)(C)[NH2+]1 ZINC000013724845 406867508 /nfs/dbraw/zinc/86/75/08/406867508.db2.gz OYGUBPIROGDWKQ-UHFFFAOYSA-N 1 0 304.394 1.446 50 0 DDAARO CC[C@H]1CN(c2nn3cc(C)nc3s2)CC[N@@H+]1C[C@@H](C)O ZINC000072276334 406877557 /nfs/dbraw/zinc/87/75/57/406877557.db2.gz VDVFLFXFHYICHN-NEPJUHHUSA-N 1 0 309.439 1.381 50 0 DDAARO COCC[NH+]1CCN(Cc2cn3c(n2)nc(C)cc3C)CC1 ZINC000072296368 406879088 /nfs/dbraw/zinc/87/90/88/406879088.db2.gz GMGXKWAYWOFBSR-UHFFFAOYSA-N 1 0 303.410 1.110 50 0 DDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000072298342 406879396 /nfs/dbraw/zinc/87/93/96/406879396.db2.gz BGMAQPUDFIHDNO-CXAGYDPISA-N 1 0 319.405 1.990 50 0 DDAARO CC(C)CCNc1nc2c(cnn2C)c(N2CC[NH+](C)CC2)n1 ZINC000021929830 406889407 /nfs/dbraw/zinc/88/94/07/406889407.db2.gz AFQNRFQOSKRSJE-UHFFFAOYSA-N 1 0 317.441 1.573 50 0 DDAARO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCCNC2=O)cc1OC ZINC000012383596 406843727 /nfs/dbraw/zinc/84/37/27/406843727.db2.gz XKHRVMPOWQWFPM-OCCSQVGLSA-N 1 0 306.406 1.893 50 0 DDAARO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 ZINC000036378511 406978890 /nfs/dbraw/zinc/97/88/90/406978890.db2.gz FADDLBKJTNUMJA-MRXNPFEDSA-N 1 0 302.399 1.933 50 0 DDAARO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)no1 ZINC000075134001 406924247 /nfs/dbraw/zinc/92/42/47/406924247.db2.gz VHFKAMWUWIQQHS-AWEZNQCLSA-N 1 0 318.425 1.462 50 0 DDAARO COC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000076059678 406952969 /nfs/dbraw/zinc/95/29/69/406952969.db2.gz ICBKLMQPHYBDHC-UWVGGRQHSA-N 1 0 307.316 1.615 50 0 DDAARO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000044492765 407024185 /nfs/dbraw/zinc/02/41/85/407024185.db2.gz ZCRBZMBTYOFDLM-SNVBAGLBSA-N 1 0 306.790 1.900 50 0 DDAARO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000045521821 407046005 /nfs/dbraw/zinc/04/60/05/407046005.db2.gz UCKAAXSDQKDVIT-ZIAGYGMSSA-N 1 0 304.394 1.516 50 0 DDAARO Nn1c(SCC[NH+]2CCCC2)nnc1-c1ccc(F)cc1 ZINC000036646231 406981915 /nfs/dbraw/zinc/98/19/15/406981915.db2.gz TULXRRZDTDHVFV-UHFFFAOYSA-N 1 0 307.398 1.986 50 0 DDAARO CC1CC[NH+](Cc2ccc(C(=O)N3CCOC[C@H](O)C3)o2)CC1 ZINC000077437415 406991423 /nfs/dbraw/zinc/99/14/23/406991423.db2.gz HVHKQHRFBJNBPL-CQSZACIVSA-N 1 0 322.405 1.345 50 0 DDAARO CC[NH+](CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1 ZINC000037867297 406995035 /nfs/dbraw/zinc/99/50/35/406995035.db2.gz USRDNNJTZJGRBH-UHFFFAOYSA-N 1 0 314.389 1.712 50 0 DDAARO Cc1nc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000041120974 407005016 /nfs/dbraw/zinc/00/50/16/407005016.db2.gz FSBSVNKKADQYNI-UHFFFAOYSA-N 1 0 308.389 1.984 50 0 DDAARO COc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1O ZINC000089337169 407131552 /nfs/dbraw/zinc/13/15/52/407131552.db2.gz YGVYTTWVGXRFOS-GFCCVEGCSA-N 1 0 310.419 1.454 50 0 DDAARO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000089550702 407138739 /nfs/dbraw/zinc/13/87/39/407138739.db2.gz CWLDCIIEARPQCI-BHYGNILZSA-N 1 0 318.417 1.396 50 0 DDAARO O=C1NCCN1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000051450011 407139589 /nfs/dbraw/zinc/13/95/89/407139589.db2.gz VHOTZHMJMWACJU-OAHLLOKOSA-N 1 0 307.369 1.349 50 0 DDAARO CC1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000089596690 407140903 /nfs/dbraw/zinc/14/09/03/407140903.db2.gz CGICRVDOFCTTGW-KGLIPLIRSA-N 1 0 318.483 1.643 50 0 DDAARO CC(C)([NH2+]CC(=O)NC(N)=O)c1ccc(Br)cc1 ZINC000089761844 407147056 /nfs/dbraw/zinc/14/70/56/407147056.db2.gz CZJFQMOWADHKBN-UHFFFAOYSA-N 1 0 314.183 1.469 50 0 DDAARO O=S1(=O)CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000089847954 407153271 /nfs/dbraw/zinc/15/32/71/407153271.db2.gz OEUFSUXWVJISDV-AWEZNQCLSA-N 1 0 305.403 1.744 50 0 DDAARO c1c(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000066564184 407254067 /nfs/dbraw/zinc/25/40/67/407254067.db2.gz WMGXZJVOWWHEAV-MRXNPFEDSA-N 1 0 300.406 1.631 50 0 DDAARO CCO[C@@H]1C[C@@H]([N@H+](C)CCNS(C)(=O)=O)C12CCCC2 ZINC000096419697 407263148 /nfs/dbraw/zinc/26/31/48/407263148.db2.gz COLJQGOGPIYXRP-CHWSQXEVSA-N 1 0 304.456 1.205 50 0 DDAARO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1COc1ccccc1 ZINC000096405950 407260908 /nfs/dbraw/zinc/26/09/08/407260908.db2.gz SCVQBTNCNXEWIN-CYBMUJFWSA-N 1 0 305.378 1.376 50 0 DDAARO O=C(NCCCn1cncn1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055183365 407196271 /nfs/dbraw/zinc/19/62/71/407196271.db2.gz MMPLXFVYUDQCLN-AWEZNQCLSA-N 1 0 317.393 1.290 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCc1nnc(N)s1 ZINC000095353483 407207661 /nfs/dbraw/zinc/20/76/61/407207661.db2.gz BOWTXGHUGOMHEP-NSHDSACASA-N 1 0 311.455 1.434 50 0 DDAARO O=C(NCCn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(F)cc1 ZINC000095354632 407208144 /nfs/dbraw/zinc/20/81/44/407208144.db2.gz NIGSCVJAZMZFHJ-ZDUSSCGKSA-N 1 0 317.368 1.314 50 0 DDAARO O=C(NCCCn1ccnn1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095363693 407209081 /nfs/dbraw/zinc/20/90/81/407209081.db2.gz YJNVIQGUCUOPQX-MRXNPFEDSA-N 1 0 313.405 1.565 50 0 DDAARO CC(C)c1cc(N2CCC[C@@H](CS(C)(=O)=O)C2)nc(N)[nH+]1 ZINC000095376121 407210883 /nfs/dbraw/zinc/21/08/83/407210883.db2.gz AJXNNMIFZQUMPT-LLVKDONJSA-N 1 0 312.439 1.443 50 0 DDAARO CN(CCCc1cnn(C)c1)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000095378279 407211032 /nfs/dbraw/zinc/21/10/32/407211032.db2.gz JQFNUHZIVPFUBM-OAHLLOKOSA-N 1 0 306.454 1.933 50 0 DDAARO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)CCO2 ZINC000095957704 407216861 /nfs/dbraw/zinc/21/68/61/407216861.db2.gz OVRVZRVIXWJOMS-UHFFFAOYSA-N 1 0 311.385 1.926 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)N1CCNC(=O)C1 ZINC000057871861 407218271 /nfs/dbraw/zinc/21/82/71/407218271.db2.gz XXHGWDUFSGYUPE-OAHLLOKOSA-N 1 0 307.438 1.380 50 0 DDAARO C[C@@](C[NH3+])(NS(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000095972371 407218815 /nfs/dbraw/zinc/21/88/15/407218815.db2.gz VEMOAUGODYHPGN-LBPRGKRZSA-N 1 0 306.790 1.885 50 0 DDAARO C[NH+]1CCC(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000058393634 407220885 /nfs/dbraw/zinc/22/08/85/407220885.db2.gz LZDFMTCMQGXVCL-OAHLLOKOSA-N 1 0 317.437 1.151 50 0 DDAARO COc1c(C[NH2+][C@H]2CCN(c3ccccn3)C2)c(C)nn1C ZINC000095990176 407221984 /nfs/dbraw/zinc/22/19/84/407221984.db2.gz JRZNESTWDPIIAO-ZDUSSCGKSA-N 1 0 301.394 1.501 50 0 DDAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C\c2cnn(C)c2)cn1 ZINC000096180099 407243225 /nfs/dbraw/zinc/24/32/25/407243225.db2.gz FMIUVVZUFJWVNU-SREVYHEPSA-N 1 0 316.409 1.610 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1NCc1ccccc1 ZINC000101668857 407314343 /nfs/dbraw/zinc/31/43/43/407314343.db2.gz LPCLLJOATKXYLD-AWEZNQCLSA-N 1 0 313.401 1.791 50 0 DDAARO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n(C)n1 ZINC000096419599 407263597 /nfs/dbraw/zinc/26/35/97/407263597.db2.gz CIQZTOYOGOZSEW-GLQYFDAESA-N 1 0 306.410 1.412 50 0 DDAARO CN(C)c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccn1 ZINC000066944426 407264529 /nfs/dbraw/zinc/26/45/29/407264529.db2.gz FGQMFQJYDQHGMX-HNNXBMFYSA-N 1 0 302.422 1.848 50 0 DDAARO CC(C)C[C@@H]1COCCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000096435375 407265458 /nfs/dbraw/zinc/26/54/58/407265458.db2.gz HKYWXRGMGQGVGX-CQSZACIVSA-N 1 0 323.441 1.724 50 0 DDAARO O=C(c1cc(F)cc(F)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096454802 407269097 /nfs/dbraw/zinc/26/90/97/407269097.db2.gz ZDKFRRVGBGCSPQ-GFCCVEGCSA-N 1 0 310.344 1.759 50 0 DDAARO COc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)ccn1 ZINC000067473207 407274812 /nfs/dbraw/zinc/27/48/12/407274812.db2.gz FIRHUMOGPWISMY-CYBMUJFWSA-N 1 0 315.373 1.935 50 0 DDAARO CCc1nc(N)sc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000067563087 407276783 /nfs/dbraw/zinc/27/67/83/407276783.db2.gz AKXLZKATYKUSIY-LLVKDONJSA-N 1 0 310.467 1.995 50 0 DDAARO Cc1ccc2cc(C[N@@H+](CCC(N)=O)C(C)C)c(=O)[nH]c2c1 ZINC000067605691 407277197 /nfs/dbraw/zinc/27/71/97/407277197.db2.gz QGVXTTCCHFFSDE-UHFFFAOYSA-N 1 0 301.390 1.922 50 0 DDAARO Cn1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1=O ZINC000097101193 407280781 /nfs/dbraw/zinc/28/07/81/407280781.db2.gz UOMQFHLAAKOKNO-CQSZACIVSA-N 1 0 318.421 1.725 50 0 DDAARO Cc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000097142793 407282913 /nfs/dbraw/zinc/28/29/13/407282913.db2.gz YDQWVTYIAKUDHK-OAHLLOKOSA-N 1 0 319.453 1.784 50 0 DDAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(-n3cnnc3)n2)C1 ZINC000067785100 407284494 /nfs/dbraw/zinc/28/44/94/407284494.db2.gz PMRJCXOXIRXKEB-CYBMUJFWSA-N 1 0 314.393 1.124 50 0 DDAARO O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200701 407286355 /nfs/dbraw/zinc/28/63/55/407286355.db2.gz CFVMOURAOJXEHC-HNNXBMFYSA-N 1 0 318.421 1.064 50 0 DDAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)n1 ZINC000097360303 407291695 /nfs/dbraw/zinc/29/16/95/407291695.db2.gz IHYAAOAAJMTCRP-MRXNPFEDSA-N 1 0 316.449 1.913 50 0 DDAARO CCC(=O)N1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H](O)C1 ZINC000097636661 407301275 /nfs/dbraw/zinc/30/12/75/407301275.db2.gz OMNHXQMMQNMDLC-HNNXBMFYSA-N 1 0 301.390 1.583 50 0 DDAARO COc1ccccc1/C=C/CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097743183 407302405 /nfs/dbraw/zinc/30/24/05/407302405.db2.gz PDLXPPASYWJFIE-YXMMZVCTSA-N 1 0 301.434 1.688 50 0 DDAARO Cc1cc(C(=O)N2CC[NH2+]C[C@@H](O)C2)c(-c2ccccc2)o1 ZINC000097819530 407303157 /nfs/dbraw/zinc/30/31/57/407303157.db2.gz CUNWWVNQXWWOPO-CQSZACIVSA-N 1 0 300.358 1.661 50 0 DDAARO CC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106629944 407360543 /nfs/dbraw/zinc/36/05/43/407360543.db2.gz HISKARQYHIUDJD-CZUORRHYSA-N 1 0 303.406 1.464 50 0 DDAARO CC(C)[NH+]1CCC(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)CC1 ZINC000107413091 407374703 /nfs/dbraw/zinc/37/47/03/407374703.db2.gz OFTQJEVTFQGWHL-GOSISDBHSA-N 1 0 322.497 1.146 50 0 DDAARO Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000195544564 407465832 /nfs/dbraw/zinc/46/58/32/407465832.db2.gz VKDNCIOAUFETLU-SKDRFNHKSA-N 1 0 304.362 1.679 50 0 DDAARO Cn1cnc(-c2nc([C@@H]3C[NH+](C)CC34CCOCC4)no2)c1 ZINC000257175463 407480425 /nfs/dbraw/zinc/48/04/25/407480425.db2.gz PHRCMCAARNRKBZ-NSHDSACASA-N 1 0 303.366 1.296 50 0 DDAARO CCOc1cc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)ncn1 ZINC000128108913 407496489 /nfs/dbraw/zinc/49/64/89/407496489.db2.gz JGLXNSKXFDBHOK-HNNXBMFYSA-N 1 0 319.453 1.482 50 0 DDAARO C[N@@H+]1CCCC[C@H]1CCN1CCN(CC(F)(F)F)C(=O)C1 ZINC000253417489 407443347 /nfs/dbraw/zinc/44/33/47/407443347.db2.gz DMXXQXWDOMFMKW-LBPRGKRZSA-N 1 0 307.360 1.567 50 0 DDAARO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000170602439 407449107 /nfs/dbraw/zinc/44/91/07/407449107.db2.gz JHILBJNMIHFXTH-CYBMUJFWSA-N 1 0 323.264 1.876 50 0 DDAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000170604343 407451058 /nfs/dbraw/zinc/45/10/58/407451058.db2.gz FSBRSSXTQZPVKN-DZGCQCFKSA-N 1 0 300.468 1.992 50 0 DDAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCOC3)cn2)CC1 ZINC000171027283 407576833 /nfs/dbraw/zinc/57/68/33/407576833.db2.gz LVITVQCLKWMVJR-ZDUSSCGKSA-N 1 0 304.394 1.199 50 0 DDAARO COC(=O)CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC2 ZINC000225560485 407598223 /nfs/dbraw/zinc/59/82/23/407598223.db2.gz IJHOZUMQFXBYJN-UHFFFAOYSA-N 1 0 304.390 1.352 50 0 DDAARO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC[C@@H](O)C3)c2cc1C ZINC000229234119 407657567 /nfs/dbraw/zinc/65/75/67/407657567.db2.gz JELKTQZQPVMUHF-CABCVRRESA-N 1 0 303.406 1.471 50 0 DDAARO C[C@@H]1C[C@H](N(C)C(=O)CC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000266914057 407672713 /nfs/dbraw/zinc/67/27/13/407672713.db2.gz UHVZTJNUSCAGMT-UKRRQHHQSA-N 1 0 303.406 1.373 50 0 DDAARO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@@H+](C)[C@@H](c3ccccc3)C[C@H]12 ZINC000230144148 407683095 /nfs/dbraw/zinc/68/30/95/407683095.db2.gz NYAUGHCKPKQICT-VMUDFCTBSA-N 1 0 303.358 1.784 50 0 DDAARO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000229356884 407662076 /nfs/dbraw/zinc/66/20/76/407662076.db2.gz PLAIBUFOPPJACU-KGLIPLIRSA-N 1 0 316.373 1.870 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000153449137 407825056 /nfs/dbraw/zinc/82/50/56/407825056.db2.gz ISSGYYNSHNRPKT-VXGBXAGGSA-N 1 0 310.419 1.054 50 0 DDAARO CC(C)Cn1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000241588516 407912121 /nfs/dbraw/zinc/91/21/21/407912121.db2.gz PDUMTLFKTDFCEN-INIZCTEOSA-N 1 0 308.426 1.068 50 0 DDAARO COc1cccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)n1 ZINC000239475363 407903906 /nfs/dbraw/zinc/90/39/06/407903906.db2.gz ANRLWPBXNOKXGA-HNNXBMFYSA-N 1 0 302.378 1.759 50 0 DDAARO Cc1ccccc1CNC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000240333309 407905849 /nfs/dbraw/zinc/90/58/49/407905849.db2.gz FCYARMOPFPGUFQ-UHFFFAOYSA-N 1 0 306.406 1.085 50 0 DDAARO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)NCc1ccccc1F ZINC000240128307 407905938 /nfs/dbraw/zinc/90/59/38/407905938.db2.gz IPNFBCLZAKFIJS-HNNXBMFYSA-N 1 0 305.397 1.612 50 0 DDAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245338723 407953845 /nfs/dbraw/zinc/95/38/45/407953845.db2.gz OALGXHDSXGXWEY-IAOVAPTHSA-N 1 0 313.401 1.940 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cccc(OCC(N)=O)c2)C1 ZINC000244795483 407937036 /nfs/dbraw/zinc/93/70/36/407937036.db2.gz RHFARSZKWMGHDD-CQSZACIVSA-N 1 0 317.433 1.609 50 0 DDAARO C[C@@H]1OCC[C@H]1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000135549309 408030811 /nfs/dbraw/zinc/03/08/11/408030811.db2.gz RTHHBEYDEKMTDR-GXTWGEPZSA-N 1 0 304.456 1.348 50 0 DDAARO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000247373071 408459491 /nfs/dbraw/zinc/45/94/91/408459491.db2.gz UYIZPMCCBHYZEC-LSDHHAIUSA-N 1 0 303.410 1.340 50 0 DDAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247735396 408507088 /nfs/dbraw/zinc/50/70/88/408507088.db2.gz KBXZJGSLUMFQFL-LSDHHAIUSA-N 1 0 305.378 1.518 50 0 DDAARO CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000247398748 408465286 /nfs/dbraw/zinc/46/52/86/408465286.db2.gz YCCSODLGPBXRTE-MGPQQGTHSA-N 1 0 324.425 1.087 50 0 DDAARO CC[NH+](CC)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000270584711 408589892 /nfs/dbraw/zinc/58/98/92/408589892.db2.gz RBGAYRGEBJZGEZ-UHFFFAOYSA-N 1 0 315.421 1.553 50 0 DDAARO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2C)C1 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318.421 1.929 50 0 DDAARO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3cscn3)C2)no1 ZINC000069899133 353175952 /nfs/dbraw/zinc/17/59/52/353175952.db2.gz FOERVJOQNMRPOV-LLVKDONJSA-N 1 0 307.423 1.843 50 0 DDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000072300576 353197185 /nfs/dbraw/zinc/19/71/85/353197185.db2.gz LTNZIGDYZJIDGZ-NZJBMZQBSA-N 1 0 308.447 1.959 50 0 DDAARO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CCc3nncn3C2)n1 ZINC000075605570 353371025 /nfs/dbraw/zinc/37/10/25/353371025.db2.gz QUWNVMSBMSJHLM-ZDUSSCGKSA-N 1 0 309.377 1.211 50 0 DDAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000095402440 353912554 /nfs/dbraw/zinc/91/25/54/353912554.db2.gz JNMVKYLGDSKNJC-CXAGYDPISA-N 1 0 320.437 1.358 50 0 DDAARO COCc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cs1 ZINC000106779238 353941569 /nfs/dbraw/zinc/94/15/69/353941569.db2.gz UZQWLPPBUASVQN-CHWSQXEVSA-N 1 0 309.435 1.988 50 0 DDAARO CCc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cnn1Cc1ccccc1 ZINC000178758049 354261701 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O=C([C@H]1CCCC12OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000225799707 296101538 /nfs/dbraw/zinc/10/15/38/296101538.db2.gz CPSPYNAMHDFAHC-OAHLLOKOSA-N 1 0 308.422 1.616 50 0 DDAARO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCCCC2)nc(N)n1 ZINC000219595777 201560699 /nfs/dbraw/zinc/56/06/99/201560699.db2.gz HQUFZXKKLVPDCM-UHFFFAOYSA-N 1 0 317.437 1.896 50 0 DDAARO COC(=O)[C@H](Cc1ccco1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222193213 201603810 /nfs/dbraw/zinc/60/38/10/201603810.db2.gz LVRZFYQZGBOBTF-ILXRZTDVSA-N 1 0 320.389 1.354 50 0 DDAARO Cn1c(N)c(C(=O)CCCCCC[NH3+])c(=O)n1-c1ccccc1 ZINC000008132297 181529305 /nfs/dbraw/zinc/52/93/05/181529305.db2.gz IKRMCTOTXVFLDB-UHFFFAOYSA-N 1 0 316.405 1.850 50 0 DDAARO C[C@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000019497506 182125427 /nfs/dbraw/zinc/12/54/27/182125427.db2.gz UGBAZHHPSBYSGZ-RYUDHWBXSA-N 1 0 306.362 1.853 50 0 DDAARO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]CC1 ZINC000019668834 182135089 /nfs/dbraw/zinc/13/50/89/182135089.db2.gz 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ZINC000058217590 184089496 /nfs/dbraw/zinc/08/94/96/184089496.db2.gz AHHJSHYEWZTGDU-UHFFFAOYSA-N 1 0 304.390 1.806 50 0 DDAARO COc1ccc(CCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058265049 184095884 /nfs/dbraw/zinc/09/58/84/184095884.db2.gz DOLPIXUUNDBJAL-NVXWUHKLSA-N 1 0 318.417 1.607 50 0 DDAARO COc1c(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000058391476 184111527 /nfs/dbraw/zinc/11/15/27/184111527.db2.gz XDVUMTKMEDGXPK-CHWSQXEVSA-N 1 0 324.469 1.715 50 0 DDAARO C[C@H](CNC(=O)CCNc1ncccn1)[NH+]1CCC(C)CC1 ZINC000058283488 184100188 /nfs/dbraw/zinc/10/01/88/184100188.db2.gz COIJYOWFHWNBGY-CQSZACIVSA-N 1 0 305.426 1.515 50 0 DDAARO COc1c(C[NH2+]C[C@H](O)c2ccc(OC)cc2)c(C)nn1C ZINC000058296364 184102208 /nfs/dbraw/zinc/10/22/08/184102208.db2.gz BTAVRAROGYRORH-HNNXBMFYSA-N 1 0 305.378 1.569 50 0 DDAARO OC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccc(F)cc1 ZINC000058299035 184102437 /nfs/dbraw/zinc/10/24/37/184102437.db2.gz XYALLSVIVFXJGG-HUUCEWRRSA-N 1 0 318.396 1.505 50 0 DDAARO CC[C@](C)(C[NH2+]Cc1c(C)nn(C)c1N(C)C)N1CCOCC1 ZINC000058393336 184112607 /nfs/dbraw/zinc/11/26/07/184112607.db2.gz OMRLBZFACXLFIY-QGZVFWFLSA-N 1 0 323.485 1.385 50 0 DDAARO COCCCC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000058393230 184112787 /nfs/dbraw/zinc/11/27/87/184112787.db2.gz SWOMOBCVPDUKMU-UHFFFAOYSA-N 1 0 319.449 1.974 50 0 DDAARO CC1CC[NH+](CCNC(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000058570052 184122743 /nfs/dbraw/zinc/12/27/43/184122743.db2.gz JVMWWVSXEINQHB-UHFFFAOYSA-N 1 0 324.469 1.466 50 0 DDAARO CSC[C@](C)(O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000096414664 295626933 /nfs/dbraw/zinc/62/69/33/295626933.db2.gz FVAZNKQWGONCOP-UKRRQHHQSA-N 1 0 302.484 1.727 50 0 DDAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)NCCc2ccc(F)cc2)C1 ZINC000065371502 184329778 /nfs/dbraw/zinc/32/97/78/184329778.db2.gz GSVZPYFDYZIXSN-CABCVRRESA-N 1 0 309.385 1.075 50 0 DDAARO C[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@H]1CCCCO1 ZINC000065407550 184339269 /nfs/dbraw/zinc/33/92/69/184339269.db2.gz 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ZINC000237441022 257238750 /nfs/dbraw/zinc/23/87/50/257238750.db2.gz UZHCGSDBPGQJAL-RISCZKNCSA-N 1 0 300.362 1.936 50 0 DDAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000071871749 184879716 /nfs/dbraw/zinc/87/97/16/184879716.db2.gz KZAVMOHIRZGVPG-TZMCWYRMSA-N 1 0 302.378 1.233 50 0 DDAARO c1cnn(CC[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000069702837 184839266 /nfs/dbraw/zinc/83/92/66/184839266.db2.gz RNEMTJASWSICAC-CQSZACIVSA-N 1 0 316.409 1.398 50 0 DDAARO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)C2=O)N2CCOCC2)s1 ZINC000072286548 292256391 /nfs/dbraw/zinc/25/63/91/292256391.db2.gz TWXQPJNJNBANHX-KBPBESRZSA-N 1 0 323.462 1.250 50 0 DDAARO O=C(C[NH+]1CCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000223137108 407565657 /nfs/dbraw/zinc/56/56/57/407565657.db2.gz YCEKZEOEAQPSJX-IAGOWNOFSA-N 1 0 318.417 1.573 50 0 DDAARO Cc1cc(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)no1 ZINC000069033610 406677774 /nfs/dbraw/zinc/67/77/74/406677774.db2.gz IWCYODNGUYONDF-UHFFFAOYSA-N 1 0 323.441 1.909 50 0 DDAARO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC1CCCCC1 ZINC000069029793 406678094 /nfs/dbraw/zinc/67/80/94/406678094.db2.gz DSRUBLFZVFPGRO-UHFFFAOYSA-N 1 0 323.481 1.480 50 0 DDAARO Cc1cccc(C)c1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000002655740 406694325 /nfs/dbraw/zinc/69/43/25/406694325.db2.gz LERPWHREGGOAGB-UHFFFAOYSA-N 1 0 305.422 1.554 50 0 DDAARO CC[NH+]1CCN(c2cc(-n3ncc(C(C)=O)c3C)ncn2)CC1 ZINC000005348630 406732529 /nfs/dbraw/zinc/73/25/29/406732529.db2.gz WUHPGKVHORGFMU-UHFFFAOYSA-N 1 0 314.393 1.315 50 0 DDAARO Cc1c(C(=O)NCC[NH+](C)C)sc2nc3n(c(=O)c12)CCC3 ZINC000006841295 406742487 /nfs/dbraw/zinc/74/24/87/406742487.db2.gz WMDBQAIMFSRJLT-UHFFFAOYSA-N 1 0 320.418 1.004 50 0 DDAARO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccccc1F ZINC000069627351 406745577 /nfs/dbraw/zinc/74/55/77/406745577.db2.gz VPLWPMGUIYQHKD-GFCCVEGCSA-N 1 0 302.415 1.975 50 0 DDAARO c1cc2n(n1)C[C@@H](C[NH2+]Cc1cnn(Cc3ccccc3)c1)CN2 ZINC000069490358 406722255 /nfs/dbraw/zinc/72/22/55/406722255.db2.gz LTDHECWOOHRTHD-INIZCTEOSA-N 1 0 322.416 1.959 50 0 DDAARO CC(=O)N1CCC(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 ZINC000069491229 406724027 /nfs/dbraw/zinc/72/40/27/406724027.db2.gz LKMRYDNRXJKJRA-QGZVFWFLSA-N 1 0 320.437 1.151 50 0 DDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000069511085 406725686 /nfs/dbraw/zinc/72/56/86/406725686.db2.gz DNHMGGDEMKICEY-ZIAGYGMSSA-N 1 0 316.405 1.795 50 0 DDAARO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000069520313 406729988 /nfs/dbraw/zinc/72/99/88/406729988.db2.gz AAQFRDFHYRPNCA-NSHDSACASA-N 1 0 317.842 1.345 50 0 DDAARO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1F ZINC000069844113 406778209 /nfs/dbraw/zinc/77/82/09/406778209.db2.gz AMJMQFPPDSMUAW-XJKSGUPXSA-N 1 0 304.369 1.863 50 0 DDAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069873365 406783621 /nfs/dbraw/zinc/78/36/21/406783621.db2.gz NTVMWWOEYHIVEV-GFCCVEGCSA-N 1 0 314.368 1.891 50 0 DDAARO CCOC(=O)Nc1ccc2c(C[NH2+]C[C@H](C)O)cc(=O)oc2c1 ZINC000008038970 406776660 /nfs/dbraw/zinc/77/66/60/406776660.db2.gz LKTFXEMTMMCIDF-JTQLQIEISA-N 1 0 320.345 1.832 50 0 DDAARO COc1cccc(CNC(=O)C[NH2+][C@H](C)[C@H](C)n2cccn2)c1 ZINC000069926565 406794713 /nfs/dbraw/zinc/79/47/13/406794713.db2.gz FSHWUDGDOXACON-KGLIPLIRSA-N 1 0 316.405 1.747 50 0 DDAARO COCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000069872139 406784794 /nfs/dbraw/zinc/78/47/94/406784794.db2.gz DRICTSXTWCFIKC-UHFFFAOYSA-N 1 0 300.406 1.636 50 0 DDAARO C[N@@H+]1CCC[C@@H](CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)C1 ZINC000070005985 406800673 /nfs/dbraw/zinc/80/06/73/406800673.db2.gz KVNVRIHDRGBCNI-NEPJUHHUSA-N 1 0 312.439 1.184 50 0 DDAARO C[C@@H]1C[C@H](C)CN(C(=O)CCC(=O)NCC[NH+]2CCCC2)C1 ZINC000009763528 406813158 /nfs/dbraw/zinc/81/31/58/406813158.db2.gz AGERSBWUJNHMPS-GASCZTMLSA-N 1 0 309.454 1.483 50 0 DDAARO COc1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)cc1OC ZINC000070458895 406817208 /nfs/dbraw/zinc/81/72/08/406817208.db2.gz REEUNSFBBYHNCR-UHFFFAOYSA-N 1 0 300.362 1.570 50 0 DDAARO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000011477633 406826848 /nfs/dbraw/zinc/82/68/48/406826848.db2.gz NFZHSQVIVCAJDB-ZDUSSCGKSA-N 1 0 319.405 1.682 50 0 DDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000011754308 406830844 /nfs/dbraw/zinc/83/08/44/406830844.db2.gz OZYCLHNIDOOQBJ-INIZCTEOSA-N 1 0 310.401 1.300 50 0 DDAARO CC1CC[NH+](C[C@@H](O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000071825088 406847349 /nfs/dbraw/zinc/84/73/49/406847349.db2.gz NZCHNDPDTIRFCQ-GFCCVEGCSA-N 1 0 323.418 1.658 50 0 DDAARO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cn2)CC1 ZINC000071823576 406847396 /nfs/dbraw/zinc/84/73/96/406847396.db2.gz JSAQABULXALYFI-HNNXBMFYSA-N 1 0 314.433 1.806 50 0 DDAARO CC(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012574334 406848415 /nfs/dbraw/zinc/84/84/15/406848415.db2.gz CSDCGQUIZFMFEH-KRWDZBQOSA-N 1 0 308.397 1.925 50 0 DDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000071846970 406852302 /nfs/dbraw/zinc/85/23/02/406852302.db2.gz 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COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[NH2+]CCO2)cc1 ZINC000072343423 406881888 /nfs/dbraw/zinc/88/18/88/406881888.db2.gz UMIBHYIMOQRABR-HNNXBMFYSA-N 1 0 314.389 1.879 50 0 DDAARO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 ZINC000027034212 406907495 /nfs/dbraw/zinc/90/74/95/406907495.db2.gz NMDMAUJZYNTZNA-VXGBXAGGSA-N 1 0 317.389 1.679 50 0 DDAARO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cnc(-c2ccco2)nc1 ZINC000071779989 406842122 /nfs/dbraw/zinc/84/21/22/406842122.db2.gz HHNAGUIFSYSBML-KGLIPLIRSA-N 1 0 312.373 1.932 50 0 DDAARO O=C(c1cccnc1-n1cccn1)N1CC[NH+](CC2CC2)CC1 ZINC000071818246 406844979 /nfs/dbraw/zinc/84/49/79/406844979.db2.gz CUGXIBWSBVQBNH-UHFFFAOYSA-N 1 0 311.389 1.435 50 0 DDAARO CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)C[NH+]1CCCCC1 ZINC000012466890 406845122 /nfs/dbraw/zinc/84/51/22/406845122.db2.gz SSSNRTXNCIAZRJ-AWEZNQCLSA-N 1 0 317.437 1.522 50 0 DDAARO CNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000028903378 406919919 /nfs/dbraw/zinc/91/99/19/406919919.db2.gz 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315.421 1.010 50 0 DDAARO O=C(Cc1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436660 407101652 /nfs/dbraw/zinc/10/16/52/407101652.db2.gz CKJILZWQQWEIOO-MRXNPFEDSA-N 1 0 306.381 1.283 50 0 DDAARO CSc1ncccc1C(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082091830 407080418 /nfs/dbraw/zinc/08/04/18/407080418.db2.gz XQTBJDRWURBPSZ-UHFFFAOYSA-N 1 0 303.391 1.033 50 0 DDAARO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC000050242083 407129611 /nfs/dbraw/zinc/12/96/11/407129611.db2.gz GULRENMMZOXTEK-SECBINFHSA-N 1 0 319.224 1.479 50 0 DDAARO CS(=O)(=O)CC1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000089484213 407136619 /nfs/dbraw/zinc/13/66/19/407136619.db2.gz RBWJODCTJUOFBC-UHFFFAOYSA-N 1 0 320.414 1.855 50 0 DDAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134386 407147462 /nfs/dbraw/zinc/14/74/62/407147462.db2.gz QYISAIYQIMOVTI-CYBMUJFWSA-N 1 0 315.439 1.585 50 0 DDAARO C[C@H]1C[N@H+](C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000089938994 407161610 /nfs/dbraw/zinc/16/16/10/407161610.db2.gz 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Nc1nc(CCNC(=O)CSCC[NH+]2CCCC2)cs1 ZINC000220398320 407541337 /nfs/dbraw/zinc/54/13/37/407541337.db2.gz IXCIOCTWKMCRED-UHFFFAOYSA-N 1 0 314.480 1.213 50 0 DDAARO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NCc1ccco1 ZINC000225548865 407593061 /nfs/dbraw/zinc/59/30/61/407593061.db2.gz FFQQGACQTWCPKW-BMFZPTHFSA-N 1 0 304.390 1.833 50 0 DDAARO CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000179079718 407715828 /nfs/dbraw/zinc/71/58/28/407715828.db2.gz HPZGNZYCODYDPQ-PWSUYJOCSA-N 1 0 323.343 1.138 50 0 DDAARO O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229384035 407662599 /nfs/dbraw/zinc/66/25/99/407662599.db2.gz IGNTZYXKZCLCPU-MNOVXSKESA-N 1 0 316.327 1.645 50 0 DDAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccco2)cn1 ZINC000229562889 407665259 /nfs/dbraw/zinc/66/52/59/407665259.db2.gz UVUPEFKEKHMBOQ-ZBFHGGJFSA-N 1 0 305.378 1.728 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000237927478 407852140 /nfs/dbraw/zinc/85/21/40/407852140.db2.gz 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ZINC000151447629 408310639 /nfs/dbraw/zinc/31/06/39/408310639.db2.gz LSAZCIOYHWFDTP-ZDUSSCGKSA-N 1 0 312.797 1.258 50 0 DDAARO CCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192237786 408564170 /nfs/dbraw/zinc/56/41/70/408564170.db2.gz LHDXNVPIDCKVMR-OAHLLOKOSA-N 1 0 312.435 1.217 50 0 DDAARO O=C1CCCN1[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000252513295 408803900 /nfs/dbraw/zinc/80/39/00/408803900.db2.gz YBDMJDADSYGHAQ-HFTRVMKXSA-N 1 0 300.402 1.732 50 0 DDAARO O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000168601557 408818940 /nfs/dbraw/zinc/81/89/40/408818940.db2.gz FMEUCQZGPYPTDY-UKRRQHHQSA-N 1 0 305.397 1.910 50 0 DDAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000191047524 163169641 /nfs/dbraw/zinc/16/96/41/163169641.db2.gz TVSMSIKGHOFUMA-OBJOEFQTSA-N 1 0 312.435 1.813 50 0 DDAARO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cn2)cc1 ZINC000237813617 163389167 /nfs/dbraw/zinc/38/91/67/163389167.db2.gz XPLZZGQRYJNQRM-HIFRSBDPSA-N 1 0 313.357 1.844 50 0 DDAARO CN(C)c1noc([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000338311286 409897064 /nfs/dbraw/zinc/89/70/64/409897064.db2.gz DNLIATZRMRRXPV-KBPBESRZSA-N 1 0 324.425 1.858 50 0 DDAARO Cc1csc([C@H](C)CNC(=O)CN(C)C2CC[NH2+]CC2)n1 ZINC000299765413 410612541 /nfs/dbraw/zinc/61/25/41/410612541.db2.gz AQNHMGOFORBXLE-LLVKDONJSA-N 1 0 310.467 1.355 50 0 DDAARO c1cc(OCCN2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000299762344 410612866 /nfs/dbraw/zinc/61/28/66/410612866.db2.gz VGKFIFWNAWNWLS-SFHVURJKSA-N 1 0 320.433 1.666 50 0 DDAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCCc2ccc(O)cc2)C1 ZINC000299776159 410619906 /nfs/dbraw/zinc/61/99/06/410619906.db2.gz NSZRDBTUJJSHOU-OAHLLOKOSA-N 1 0 305.422 1.077 50 0 DDAARO CCCn1nccc1NC(=O)NC[C@H](O)C[NH+]1CCCCCC1 ZINC000299779084 410622420 /nfs/dbraw/zinc/62/24/20/410622420.db2.gz JREHOVBXYIXCDP-AWEZNQCLSA-N 1 0 323.441 1.652 50 0 DDAARO Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)O)C2)cc1OCCC[NH3+] ZINC000299784625 410628922 /nfs/dbraw/zinc/62/89/22/410628922.db2.gz 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1.157 50 0 DDAARO Cc1ccccc1[C@]1(C)NC(=O)N(CCc2cncn2C)C1=O ZINC000408525178 418809088 /nfs/dbraw/zinc/80/90/88/418809088.db2.gz ORONFSSADJIHCE-KRWDZBQOSA-N 1 0 312.373 1.738 50 0 DDAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ncc[nH]1 ZINC000426478999 419481665 /nfs/dbraw/zinc/48/16/65/419481665.db2.gz PBDRDKYAJFAVAV-UHFFFAOYSA-N 1 0 301.394 1.683 50 0 DDAARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1C ZINC000426503568 419490026 /nfs/dbraw/zinc/49/00/26/419490026.db2.gz OJALYTBBSXXAPU-UHFFFAOYSA-N 1 0 317.433 1.831 50 0 DDAARO Cc1nonc1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426656812 419524006 /nfs/dbraw/zinc/52/40/06/419524006.db2.gz BBKPNUIGPGUCRY-UHFFFAOYSA-N 1 0 320.353 1.849 50 0 DDAARO C[C@@H](C(=O)N(CCCO)Cc1ccncc1)[NH+]1CCCCC1 ZINC000426690011 419529742 /nfs/dbraw/zinc/52/97/42/419529742.db2.gz YHWXMGXNMXRBNT-HNNXBMFYSA-N 1 0 305.422 1.667 50 0 DDAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCc1ccncc1 ZINC000426407703 228569168 /nfs/dbraw/zinc/56/91/68/228569168.db2.gz TXYZIOQWTZYPMV-OAHLLOKOSA-N 1 0 313.405 1.104 50 0 DDAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426528165 419497791 /nfs/dbraw/zinc/49/77/91/419497791.db2.gz ZIJVXJXPXGFQNH-CYBMUJFWSA-N 1 0 319.453 1.914 50 0 DDAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2ccccn2)C1 ZINC000426599839 419515875 /nfs/dbraw/zinc/51/58/75/419515875.db2.gz YZRRMCVXVRMQSA-OAHLLOKOSA-N 1 0 304.438 1.996 50 0 DDAARO Cc1ccc(N2CC[C@H](C(=O)N(C)[C@@H]3CC[NH2+]C3)C2=O)cc1C ZINC000299739134 229371376 /nfs/dbraw/zinc/37/13/76/229371376.db2.gz KYMGTRWMTGXZSJ-HZPDHXFCSA-N 1 0 315.417 1.477 50 0 DDAARO Cc1noc(C)c1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299757259 229403861 /nfs/dbraw/zinc/40/38/61/229403861.db2.gz KPJPLKBYMNLRGN-GJZGRUSLSA-N 1 0 307.394 1.203 50 0 DDAARO Cc1cc(C)cc(N2CCC([NH2+]CCc3nc(N)n[nH]3)CC2)c1 ZINC000534657450 421694958 /nfs/dbraw/zinc/69/49/58/421694958.db2.gz BHJJSIZICCNBLO-UHFFFAOYSA-N 1 0 314.437 1.805 50 0 DDAARO O=C(/C=C/c1ccoc1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575415731 422295237 /nfs/dbraw/zinc/29/52/37/422295237.db2.gz YUYHCPBXSUPBKQ-XGBNDESESA-N 1 0 304.390 1.910 50 0 DDAARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1csc(N)n1 ZINC000584884955 422303211 /nfs/dbraw/zinc/30/32/11/422303211.db2.gz LKJONVMFVJQYMR-UHFFFAOYSA-N 1 0 304.419 2.059 50 0 DDAARO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000585115976 422306031 /nfs/dbraw/zinc/30/60/31/422306031.db2.gz CDNSDCIFSGETST-PBHICJAKSA-N 1 0 317.389 1.487 50 0 DDAARO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](C)C2)c1Br ZINC000236814333 276064257 /nfs/dbraw/zinc/06/42/57/276064257.db2.gz KZXZDOOVMPPUMC-QMMMGPOBSA-N 1 0 315.215 1.730 50 0 DDAARO C[NH2+]C[C@@H]1CCCN1C(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000237068564 277027089 /nfs/dbraw/zinc/02/70/89/277027089.db2.gz OEBRMVFOLSXSTO-AWEZNQCLSA-N 1 0 302.374 1.681 50 0 DDAARO CC(C)(C)n1ncnc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000253392797 277291618 /nfs/dbraw/zinc/29/16/18/277291618.db2.gz VTTUHQVRSCFJCV-OAHLLOKOSA-N 1 0 321.469 1.577 50 0 DDAARO CC(=O)N[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022685226 278165002 /nfs/dbraw/zinc/16/50/02/278165002.db2.gz CYZUBPGVFKPASD-CZUORRHYSA-N 1 0 303.406 1.464 50 0 DDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000269191071 278317181 /nfs/dbraw/zinc/31/71/81/278317181.db2.gz QVSRUCPCSGYYDG-BXUZGUMPSA-N 1 0 319.434 1.730 50 0 DDAARO COc1cc(CC(=O)N2CCC[C@@H]([NH3+])CC2)cc(OC)c1OC ZINC000072122360 294975808 /nfs/dbraw/zinc/97/58/08/294975808.db2.gz XNBUDGFGLWOTDW-CYBMUJFWSA-N 1 0 322.405 1.595 50 0 DDAARO COc1c(CNC(=O)c2ccccc2C[NH+](C)C)c(C)nn1C ZINC000362625982 307022596 /nfs/dbraw/zinc/02/25/96/307022596.db2.gz ZRWBBSVUWXQLSV-UHFFFAOYSA-N 1 0 316.405 1.729 50 0 DDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccncc1Cl ZINC000534593328 334294934 /nfs/dbraw/zinc/29/49/34/334294934.db2.gz SVNOPGDCCNKYLK-KBPBESRZSA-N 1 0 309.797 1.718 50 0 DDAARO C[C@H](Cn1cncn1)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534649342 334316996 /nfs/dbraw/zinc/31/69/96/334316996.db2.gz 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406704957 /nfs/dbraw/zinc/70/49/57/406704957.db2.gz YNXQNWIGCUIQII-UHFFFAOYSA-N 1 0 311.376 1.261 50 0 DDAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)NC(N)=O)cc1OC ZINC000069324264 406695535 /nfs/dbraw/zinc/69/55/35/406695535.db2.gz GOQHIOHEPPPDCC-GFCCVEGCSA-N 1 0 321.377 1.426 50 0 DDAARO CCc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)o1 ZINC000069571012 406737640 /nfs/dbraw/zinc/73/76/40/406737640.db2.gz ZZWSTIYQRNILDO-CQSZACIVSA-N 1 0 319.405 1.396 50 0 DDAARO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1OC ZINC000069589998 406738974 /nfs/dbraw/zinc/73/89/74/406738974.db2.gz LCFQOUSNAOYYSE-OAHLLOKOSA-N 1 0 306.406 1.657 50 0 DDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000069628102 406745783 /nfs/dbraw/zinc/74/57/83/406745783.db2.gz IHASCZKAEVTZBV-IAGOWNOFSA-N 1 0 324.440 1.884 50 0 DDAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069769936 406768447 /nfs/dbraw/zinc/76/84/47/406768447.db2.gz UQIRLYVGFQRARI-LSDHHAIUSA-N 1 0 316.405 1.239 50 0 DDAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1)n1cccn1 ZINC000069418078 406710157 /nfs/dbraw/zinc/71/01/57/406710157.db2.gz CINBDFPFAQHPFR-QWHCGFSZSA-N 1 0 302.378 1.487 50 0 DDAARO C[C@H]1C[NH+](CCCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000069439747 406713176 /nfs/dbraw/zinc/71/31/76/406713176.db2.gz TYJNQVYGBCFECN-KBPBESRZSA-N 1 0 301.394 1.704 50 0 DDAARO C[C@@H]1C[N@H+](CC2CCCC2)CCN1c1ccc2nncn2n1 ZINC000069458742 406717456 /nfs/dbraw/zinc/71/74/56/406717456.db2.gz SLYOOWVBJOKKLO-CYBMUJFWSA-N 1 0 300.410 1.825 50 0 DDAARO Cc1nnc2n1CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC000069510816 406725254 /nfs/dbraw/zinc/72/52/54/406725254.db2.gz HDQVJRHTXNQOQV-OAHLLOKOSA-N 1 0 305.426 1.439 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000069511090 406726125 /nfs/dbraw/zinc/72/61/25/406726125.db2.gz DNHMGGDEMKICEY-KBPBESRZSA-N 1 0 316.405 1.795 50 0 DDAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069808019 406774485 /nfs/dbraw/zinc/77/44/85/406774485.db2.gz UAJVPJLLYZAVEW-LSDHHAIUSA-N 1 0 320.393 1.161 50 0 DDAARO C[C@H]1CN(CCn2cncn2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069870266 406784863 /nfs/dbraw/zinc/78/48/63/406784863.db2.gz NLIDCCHSOCLTSQ-RDJZCZTQSA-N 1 0 315.421 1.018 50 0 DDAARO C[C@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 ZINC000069879306 406785111 /nfs/dbraw/zinc/78/51/11/406785111.db2.gz LWNJGHKSPIDQOE-LBPRGKRZSA-N 1 0 312.435 1.376 50 0 DDAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC000069892564 406787239 /nfs/dbraw/zinc/78/72/39/406787239.db2.gz NWSSWWIAJSVBOG-HOCLYGCPSA-N 1 0 313.405 1.620 50 0 DDAARO CN1CCO[C@@H](C[NH2+]CC(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000069879838 406787386 /nfs/dbraw/zinc/78/73/86/406787386.db2.gz CPNKFKGQHRBHSH-HNNXBMFYSA-N 1 0 323.462 1.159 50 0 DDAARO CC(C)Cc1ccc([C@@H](O)CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000069947948 406793498 /nfs/dbraw/zinc/79/34/98/406793498.db2.gz JVXNXRDONYCBAB-LPHOPBHVSA-N 1 0 320.477 1.917 50 0 DDAARO CC[NH+](CC)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008935772 406796834 /nfs/dbraw/zinc/79/68/34/406796834.db2.gz ICDYNHFJEABSHW-UHFFFAOYSA-N 1 0 313.423 1.217 50 0 DDAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000069976546 406799323 /nfs/dbraw/zinc/79/93/23/406799323.db2.gz GCZQZGWIIPSMQF-CYBMUJFWSA-N 1 0 317.393 1.051 50 0 DDAARO CCN1CCO[C@@H](C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000069976763 406799485 /nfs/dbraw/zinc/79/94/85/406799485.db2.gz ZJJXJWCTXJKKRE-DYVFJYSZSA-N 1 0 320.433 1.829 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000070040883 406807204 /nfs/dbraw/zinc/80/72/04/406807204.db2.gz POIBWGUYTLAHIE-CQSZACIVSA-N 1 0 311.389 1.686 50 0 DDAARO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000012492488 406846318 /nfs/dbraw/zinc/84/63/18/406846318.db2.gz YSZPCSVPTVDBNN-VNHYZAJKSA-N 1 0 323.389 1.402 50 0 DDAARO CC(C)(C)n1cc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cn1 ZINC000071837025 406850389 /nfs/dbraw/zinc/85/03/89/406850389.db2.gz XRHAJLQZNJVBHE-UHFFFAOYSA-N 1 0 316.405 1.792 50 0 DDAARO Cn1nnc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[N@@H+]3C)ccc21 ZINC000071870447 406857143 /nfs/dbraw/zinc/85/71/43/406857143.db2.gz SPKGDWAPGVTBCP-JKSUJKDBSA-N 1 0 313.405 1.667 50 0 DDAARO CCc1nnc2n1C[C@H](C[NH2+][C@H](C(N)=O)c1ccccc1)CC2 ZINC000071871887 406858060 /nfs/dbraw/zinc/85/80/60/406858060.db2.gz QFRVVNMOACUOHV-LRDDRELGSA-N 1 0 313.405 1.219 50 0 DDAARO CCN1CCO[C@H](C[NH2+]Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000071880811 406861026 /nfs/dbraw/zinc/86/10/26/406861026.db2.gz YGNHOHQTKMRCHP-CYBMUJFWSA-N 1 0 308.378 1.234 50 0 DDAARO COC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000071888991 406862154 /nfs/dbraw/zinc/86/21/54/406862154.db2.gz POCJKCSBXVJQQT-LBPRGKRZSA-N 1 0 302.374 1.687 50 0 DDAARO COCCC[N@@H+]1CCCN(C(=O)NCCc2ccccn2)CC1 ZINC000071913586 406866720 /nfs/dbraw/zinc/86/67/20/406866720.db2.gz ZXVGNUHMQFKEJQ-UHFFFAOYSA-N 1 0 320.437 1.378 50 0 DDAARO Cn1c2ccccc2nc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000071915602 406867688 /nfs/dbraw/zinc/86/76/88/406867688.db2.gz LKXJZZPYSPRKDE-HNNXBMFYSA-N 1 0 314.433 1.870 50 0 DDAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CCO[C@@H](C[NH3+])C1 ZINC000072166647 406875253 /nfs/dbraw/zinc/87/52/53/406875253.db2.gz MBRVZZGWYLUZOO-LBPRGKRZSA-N 1 0 316.409 1.185 50 0 DDAARO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CCc2nnc(C)n2C1 ZINC000072267355 406875640 /nfs/dbraw/zinc/87/56/40/406875640.db2.gz AJMXPYQBQDHQMY-LBPRGKRZSA-N 1 0 316.434 1.956 50 0 DDAARO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000015070696 406878820 /nfs/dbraw/zinc/87/88/20/406878820.db2.gz DZASYVNONRXKJN-KRWDZBQOSA-N 1 0 302.422 1.645 50 0 DDAARO Cc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F ZINC000072300554 406880145 /nfs/dbraw/zinc/88/01/45/406880145.db2.gz BJKHDNAUUGMUQJ-SWLSCSKDSA-N 1 0 314.426 1.894 50 0 DDAARO CCOC(=O)C1=C(C[NH2+]C(C)(C)C)NC(=O)N[C@H]1c1ccco1 ZINC000023697549 406892191 /nfs/dbraw/zinc/89/21/91/406892191.db2.gz FZALNMOHTYZWNO-ZDUSSCGKSA-N 1 0 321.377 1.839 50 0 DDAARO C[NH2+]C1(c2nnnn2-c2ccccc2C(=O)OC)CCCC1 ZINC000035170732 406968974 /nfs/dbraw/zinc/96/89/74/406968974.db2.gz URSMDHSTDYUPEB-UHFFFAOYSA-N 1 0 301.350 1.438 50 0 DDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000035251407 406970884 /nfs/dbraw/zinc/97/08/84/406970884.db2.gz DYQVMCXNESVLDK-MRVPVSSYSA-N 1 0 310.238 1.787 50 0 DDAARO CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000074536492 406914557 /nfs/dbraw/zinc/91/45/57/406914557.db2.gz FAAQCGAEYGTMAW-CQSZACIVSA-N 1 0 307.442 1.775 50 0 DDAARO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCCCC1 ZINC000028286217 406917406 /nfs/dbraw/zinc/91/74/06/406917406.db2.gz UIRDPYBXXFMCDL-KGLIPLIRSA-N 1 0 304.390 1.817 50 0 DDAARO c1cc(NCC2([NH+]3CCSCC3)CCCC2)nn2nnnc12 ZINC000029622805 406924920 /nfs/dbraw/zinc/92/49/20/406924920.db2.gz IVDKCCRBFWHUCL-UHFFFAOYSA-N 1 0 319.438 1.293 50 0 DDAARO CN1CCN(C2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1=O ZINC000075604117 406936872 /nfs/dbraw/zinc/93/68/72/406936872.db2.gz ANVOIBSDRYAIHW-MRXNPFEDSA-N 1 0 321.396 1.691 50 0 DDAARO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000075900696 406945926 /nfs/dbraw/zinc/94/59/26/406945926.db2.gz RVTYUYUWMDHXRW-FZMZJTMJSA-N 1 0 305.353 1.760 50 0 DDAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OC(C)C ZINC000032210440 406946065 /nfs/dbraw/zinc/94/60/65/406946065.db2.gz PHVJJHTYAQHGRV-UHFFFAOYSA-N 1 0 308.422 1.904 50 0 DDAARO OCCN1CC[NH+](C2CCN(c3ncccc3Cl)CC2)CC1 ZINC000032540650 406948904 /nfs/dbraw/zinc/94/89/04/406948904.db2.gz AAWNARONTWINHH-UHFFFAOYSA-N 1 0 324.856 1.314 50 0 DDAARO OCC[NH+]1CCN(c2nc(C(F)F)nc3ccccc32)CC1 ZINC000078524657 407031810 /nfs/dbraw/zinc/03/18/10/407031810.db2.gz NIGHXEHOUGGYNG-UHFFFAOYSA-N 1 0 308.332 1.682 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000044908419 407033005 /nfs/dbraw/zinc/03/30/05/407033005.db2.gz XDVDIJCEFCGCIX-CYBMUJFWSA-N 1 0 306.410 1.374 50 0 DDAARO CCn1nc(C)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1C ZINC000078552353 407033195 /nfs/dbraw/zinc/03/31/95/407033195.db2.gz TYVUOXSECHEZRL-INIZCTEOSA-N 1 0 317.437 1.876 50 0 DDAARO Cc1csc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000044954791 407036032 /nfs/dbraw/zinc/03/60/32/407036032.db2.gz FRCFDXIGCUPCCV-GFCCVEGCSA-N 1 0 312.439 1.098 50 0 DDAARO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C2CCCCC2)C[C@H](C)O1 ZINC000078726447 407043595 /nfs/dbraw/zinc/04/35/95/407043595.db2.gz RCHJQXHOFKRECN-YALNPMBYSA-N 1 0 324.465 1.638 50 0 DDAARO CN(C1CCCCC1)S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000045744224 407048407 /nfs/dbraw/zinc/04/84/07/407048407.db2.gz DXUHBDAXFAKXCA-UHFFFAOYSA-N 1 0 317.499 1.960 50 0 DDAARO C[C@H](CNS(=O)(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000045744899 407048529 /nfs/dbraw/zinc/04/85/29/407048529.db2.gz XHODJLOPBHOTNE-LSDHHAIUSA-N 1 0 317.499 1.673 50 0 DDAARO COc1ccccc1N1CCC([N@@H+]2CCOC[C@H](CO)C2)CC1 ZINC000077299406 406983468 /nfs/dbraw/zinc/98/34/68/406983468.db2.gz FIBPDXLANJNADR-HNNXBMFYSA-N 1 0 320.433 1.605 50 0 DDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000084636465 407092002 /nfs/dbraw/zinc/09/20/02/407092002.db2.gz 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407208280 /nfs/dbraw/zinc/20/82/80/407208280.db2.gz JCFGNWCELBKJJU-GFCCVEGCSA-N 1 0 304.394 1.043 50 0 DDAARO COc1cccc([C@H]2CN(c3ncnc4nc[nH]c43)C[C@@H]2[NH3+])c1 ZINC000095357541 407208433 /nfs/dbraw/zinc/20/84/33/407208433.db2.gz AYKARLAIKYRSKC-OLZOCXBDSA-N 1 0 310.361 1.293 50 0 DDAARO CCCc1nnc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000095368772 407209593 /nfs/dbraw/zinc/20/95/93/407209593.db2.gz IOQOLSZHCIWKCT-CQSZACIVSA-N 1 0 307.442 1.486 50 0 DDAARO C[C@H](C(=O)NCC(=O)NCc1ccncc1)[NH+]1CCCCCC1 ZINC000095962349 407218152 /nfs/dbraw/zinc/21/81/52/407218152.db2.gz WLCKSVYWBQXQCT-CQSZACIVSA-N 1 0 318.421 1.079 50 0 DDAARO CC(C)OC(=O)C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccccc1 ZINC000095971662 407218599 /nfs/dbraw/zinc/21/85/99/407218599.db2.gz ZPANXBHZNWLSIM-PBHICJAKSA-N 1 0 322.380 1.887 50 0 DDAARO CCOC(=O)CCN1CCC([NH2+]C[C@@](C)(CC)[C@H](C)O)CC1 ZINC000095986494 407220707 /nfs/dbraw/zinc/22/07/07/407220707.db2.gz OTQWNYDLXGUBQW-WMLDXEAASA-N 1 0 314.470 1.791 50 0 DDAARO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000095985489 407220878 /nfs/dbraw/zinc/22/08/78/407220878.db2.gz BSPCJQOMTWBGKG-CVEARBPZSA-N 1 0 324.396 1.332 50 0 DDAARO [NH3+][C@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 ZINC000095996566 407221780 /nfs/dbraw/zinc/22/17/80/407221780.db2.gz CHMFFVWNYDQHKQ-INIZCTEOSA-N 1 0 314.364 1.569 50 0 DDAARO CN(CC[NH+](C)C)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000096008153 407223369 /nfs/dbraw/zinc/22/33/69/407223369.db2.gz OLGQVRPSCWNYTP-UHFFFAOYSA-N 1 0 315.421 1.790 50 0 DDAARO CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650310 407229698 /nfs/dbraw/zinc/22/96/98/407229698.db2.gz ZSLAUKWXUQWXCO-STQMWFEESA-N 1 0 305.378 1.073 50 0 DDAARO CSCC[NH+]1CCN(c2nc3c(s2)c(C)nn3C)CC1 ZINC000096162570 407242244 /nfs/dbraw/zinc/24/22/44/407242244.db2.gz YDMZZPGVHWLKGX-UHFFFAOYSA-N 1 0 311.480 1.823 50 0 DDAARO O[C@@H]1CCC[N@H+](CCCNc2cc(N3CCCCC3)ncn2)C1 ZINC000065383743 407243158 /nfs/dbraw/zinc/24/31/58/407243158.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 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C=Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)c1 ZINC000067755655 407282975 /nfs/dbraw/zinc/28/29/75/407282975.db2.gz FKJSPDVQAIITNP-HNNXBMFYSA-N 1 0 301.390 1.143 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)ccc1F ZINC000067820615 407285290 /nfs/dbraw/zinc/28/52/90/407285290.db2.gz ORUDUDNEAQJLMP-GWCFXTLKSA-N 1 0 311.332 1.031 50 0 DDAARO CCn1cnnc1CCNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067841752 407286336 /nfs/dbraw/zinc/28/63/36/407286336.db2.gz OWKREGFNBNHKJS-UHFFFAOYSA-N 1 0 315.425 1.518 50 0 DDAARO COC(=O)c1cn(C2CC[NH+](Cc3cccn3C)CC2)nn1 ZINC000097376882 407291973 /nfs/dbraw/zinc/29/19/73/407291973.db2.gz VCRTWESJRSDMIR-UHFFFAOYSA-N 1 0 303.366 1.240 50 0 DDAARO CC(=O)Nc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000097546651 407299243 /nfs/dbraw/zinc/29/92/43/407299243.db2.gz WRQSOKWTSLEDQF-QGZVFWFLSA-N 1 0 302.422 1.125 50 0 DDAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCOCc2ccccc2)C1 ZINC000097515136 407299265 /nfs/dbraw/zinc/29/92/65/407299265.db2.gz 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Cc1ccc(CCNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)o1 ZINC000220115026 407537856 /nfs/dbraw/zinc/53/78/56/407537856.db2.gz QWZYDPXFLIVTMD-CQSZACIVSA-N 1 0 307.438 1.663 50 0 DDAARO CO[C@@H](C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000225785639 407605686 /nfs/dbraw/zinc/60/56/86/407605686.db2.gz HWGZETKGDDZUEY-GJZGRUSLSA-N 1 0 312.435 1.388 50 0 DDAARO C[C@@H]1CCCC[C@H]1OCCN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261840508 407638434 /nfs/dbraw/zinc/63/84/34/407638434.db2.gz WMTBJPXNQWXTHT-OWCLPIDISA-N 1 0 306.454 1.962 50 0 DDAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000131266499 407729469 /nfs/dbraw/zinc/72/94/69/407729469.db2.gz JLQLYRXAKCTUDU-VHDGCEQUSA-N 1 0 315.417 1.598 50 0 DDAARO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000229356910 407661871 /nfs/dbraw/zinc/66/18/71/407661871.db2.gz BWECPMLJFKXRTJ-OLZOCXBDSA-N 1 0 316.373 1.870 50 0 DDAARO COc1ccc(CCN2CCC([N@H+](C)CC(=O)[O-])CC2)cc1 ZINC000186674942 407738463 /nfs/dbraw/zinc/73/84/63/407738463.db2.gz LMQWJBYQVUIXPK-UHFFFAOYSA-N 1 0 306.406 1.719 50 0 DDAARO CC(C)c1nc(N(C)C)nc(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000239367354 407903649 /nfs/dbraw/zinc/90/36/49/407903649.db2.gz AIJSHOYCVMJJGQ-UHFFFAOYSA-N 1 0 304.442 1.782 50 0 DDAARO COc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000240517097 407907529 /nfs/dbraw/zinc/90/75/29/407907529.db2.gz NVBQJDZVEGJSNJ-HNNXBMFYSA-N 1 0 318.417 1.880 50 0 DDAARO CCCn1ccnc1CNC(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000243901025 407922363 /nfs/dbraw/zinc/92/23/63/407922363.db2.gz AYPKJJNUBDTNDR-HNNXBMFYSA-N 1 0 321.469 1.325 50 0 DDAARO Cc1cccc(CN2CCN(CCc3cn[nH]c3)[C@@H](C)C2=O)c1 ZINC000244811604 407938868 /nfs/dbraw/zinc/93/88/68/407938868.db2.gz SHQVLLKUPCPTLB-HNNXBMFYSA-N 1 0 312.417 1.994 50 0 DDAARO Cc1cccc(CN2CCN(CCc3cn[nH]c3)[C@H](C)C2=O)c1 ZINC000244811605 407939402 /nfs/dbraw/zinc/93/94/02/407939402.db2.gz SHQVLLKUPCPTLB-OAHLLOKOSA-N 1 0 312.417 1.994 50 0 DDAARO Cn1cc(C(=O)N2CC[NH2+]CC2)c(-c2ccc(F)cc2F)n1 ZINC000159341175 408401488 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C[C@H]([C@H](C)[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)n1cccn1 ZINC000252518017 408803940 /nfs/dbraw/zinc/80/39/40/408803940.db2.gz XKEKHOJNANJCMV-ZJIFWQFVSA-N 1 0 320.437 1.592 50 0 DDAARO COCc1c(C)onc1C(=O)NCCn1c(C)c[nH+]c1C1CC1 ZINC000253398989 408814927 /nfs/dbraw/zinc/81/49/27/408814927.db2.gz CMLWSYMFANAJHH-UHFFFAOYSA-N 1 0 318.377 1.942 50 0 DDAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)NCCc1ccc(F)cc1 ZINC000072267786 287030888 /nfs/dbraw/zinc/03/08/88/287030888.db2.gz CHNBRARQPUDVLM-CYBMUJFWSA-N 1 0 304.369 1.359 50 0 DDAARO COc1ccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299758040 410608317 /nfs/dbraw/zinc/60/83/17/410608317.db2.gz KNRQTMGXFCQMDK-JKSUJKDBSA-N 1 0 300.362 1.633 50 0 DDAARO CN1CC[NH+](CCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000299757681 410609138 /nfs/dbraw/zinc/60/91/38/410609138.db2.gz MGUUBTJNPCJBOR-MRXNPFEDSA-N 1 0 319.424 1.779 50 0 DDAARO O=C1C[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)CN1c1ccccc1 ZINC000299774745 410617617 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ZINC000216344429 201490905 /nfs/dbraw/zinc/49/09/05/201490905.db2.gz TVUNJRHKBVXTET-GOSISDBHSA-N 1 0 316.449 1.641 50 0 DDAARO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCCCN1CCCC1=O ZINC000016047084 182031371 /nfs/dbraw/zinc/03/13/71/182031371.db2.gz IEXDIAKITFIQRK-OAHLLOKOSA-N 1 0 317.433 1.808 50 0 DDAARO CCN(CC)c1ncccc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000019146666 182106153 /nfs/dbraw/zinc/10/61/53/182106153.db2.gz CKPZNKMGYARCNW-HNNXBMFYSA-N 1 0 304.438 1.886 50 0 DDAARO COc1cc(NC(=O)CCN2CC[NH+](C)CC2)cc(OC)c1 ZINC000019590016 182131812 /nfs/dbraw/zinc/13/18/12/182131812.db2.gz UTKCLLCLVRSGMJ-UHFFFAOYSA-N 1 0 307.394 1.280 50 0 DDAARO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000022782032 182334209 /nfs/dbraw/zinc/33/42/09/182334209.db2.gz ROPNCPLNAREFIU-VMPITWQZSA-N 1 0 305.397 1.593 50 0 DDAARO C[NH+]1CCN(c2ccc(CNc3ncccc3F)cn2)CC1 ZINC000267774006 206273413 /nfs/dbraw/zinc/27/34/13/206273413.db2.gz LNXVYVIKIRKXSM-UHFFFAOYSA-N 1 0 301.369 1.980 50 0 DDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccsc1 ZINC000040534270 183094923 /nfs/dbraw/zinc/09/49/23/183094923.db2.gz BJHISWOXCRTEKE-CYBMUJFWSA-N 1 0 323.462 1.859 50 0 DDAARO CCn1cc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000043646159 183377701 /nfs/dbraw/zinc/37/77/01/183377701.db2.gz XXEQFDRCXCIEGC-AWEZNQCLSA-N 1 0 309.414 1.381 50 0 DDAARO C[N@@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@H]1CCO ZINC000105110706 194074883 /nfs/dbraw/zinc/07/48/83/194074883.db2.gz ANPXAOXBLQRFGT-CYBMUJFWSA-N 1 0 300.349 1.786 50 0 DDAARO CC[C@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825478 194137603 /nfs/dbraw/zinc/13/76/03/194137603.db2.gz IUSSVJVXOOPWDJ-ZBFHGGJFSA-N 1 0 305.422 1.402 50 0 DDAARO Cc1csc(=O)n1CC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000048279029 183636848 /nfs/dbraw/zinc/63/68/48/183636848.db2.gz ZIXOBQYKABJYCY-UHFFFAOYSA-N 1 0 311.451 1.455 50 0 DDAARO COc1cc(C)c(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000110797502 194359007 /nfs/dbraw/zinc/35/90/07/194359007.db2.gz DOSKNZDBQZSBEY-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/34/20/10/184342010.db2.gz MJGAPUKUGZJTFF-LBPRGKRZSA-N 1 0 319.384 1.067 50 0 DDAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N(C)CCCc2nccn2C)C1 ZINC000065431265 184343935 /nfs/dbraw/zinc/34/39/35/184343935.db2.gz DFXHKUVWAXGQOL-QGZVFWFLSA-N 1 0 306.454 1.933 50 0 DDAARO c1nc(SCC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000065466464 184350208 /nfs/dbraw/zinc/35/02/08/184350208.db2.gz XVGGUSHJKYURLX-CQSZACIVSA-N 1 0 303.435 1.761 50 0 DDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000065591375 184369732 /nfs/dbraw/zinc/36/97/32/184369732.db2.gz ALKHPOYEYGJLDP-OAHLLOKOSA-N 1 0 324.375 1.896 50 0 DDAARO CC(C)C[NH+]1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000065604418 184371377 /nfs/dbraw/zinc/37/13/77/184371377.db2.gz WMFYDHZPHGKOBG-MRXNPFEDSA-N 1 0 310.413 1.839 50 0 DDAARO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000066126721 184391569 /nfs/dbraw/zinc/39/15/69/184391569.db2.gz PJTZDNNKQYAQAP-ZDUSSCGKSA-N 1 0 318.421 1.187 50 0 DDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)ccc1F ZINC000067759051 184485226 /nfs/dbraw/zinc/48/52/26/184485226.db2.gz ORUDUDNEAQJLMP-MFKMUULPSA-N 1 0 311.332 1.031 50 0 DDAARO COc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000069415044 184512799 /nfs/dbraw/zinc/51/27/99/184512799.db2.gz KXKPQRDZEQLXAX-IRXDYDNUSA-N 1 0 317.433 1.162 50 0 DDAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000216472215 257273248 /nfs/dbraw/zinc/27/32/48/257273248.db2.gz UNLIWPDZGJILDW-CVEARBPZSA-N 1 0 318.396 1.508 50 0 DDAARO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000358782687 257235799 /nfs/dbraw/zinc/23/57/99/257235799.db2.gz AQVFVNFFIJOGFY-AAEUAGOBSA-N 1 0 321.377 1.534 50 0 DDAARO Cc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CC[NH3+] ZINC000045796155 257269901 /nfs/dbraw/zinc/26/99/01/257269901.db2.gz ATFHBBZCHAILDU-UHFFFAOYSA-N 1 0 308.407 1.088 50 0 DDAARO CCc1cc(NCCc2nncn2C)nc(N2CCCCC2)[nH+]1 ZINC000065375078 134822568 /nfs/dbraw/zinc/82/25/68/134822568.db2.gz RIWNJZUWNOIOCN-UHFFFAOYSA-N 1 0 315.425 1.812 50 0 DDAARO CC[NH+](CC)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000002454765 406687556 /nfs/dbraw/zinc/68/75/56/406687556.db2.gz RAPALVVSPBKVIN-UHFFFAOYSA-N 1 0 314.436 1.311 50 0 DDAARO CC[NH+](CC)CCCNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000002455916 406687902 /nfs/dbraw/zinc/68/79/02/406687902.db2.gz LUIZGFJTMMEQIY-UHFFFAOYSA-N 1 0 302.378 1.385 50 0 DDAARO C[C@@]1(O)N(CCCO)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000002601081 406689666 /nfs/dbraw/zinc/68/96/66/406689666.db2.gz OQCQFZMKLSJEKM-AWEZNQCLSA-N 1 0 300.399 1.209 50 0 DDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CC2 ZINC000069778484 406771187 /nfs/dbraw/zinc/77/11/87/406771187.db2.gz WORQSOWAIQLOKB-HNNXBMFYSA-N 1 0 308.389 1.877 50 0 DDAARO O=C(COCCOc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069565738 406734497 /nfs/dbraw/zinc/73/44/97/406734497.db2.gz UGWOMRHXPDOYLM-HNNXBMFYSA-N 1 0 318.417 1.683 50 0 DDAARO O[C@H](C[NH+]1CCN(CCc2ccccn2)CC1)c1ccccc1 ZINC000069662593 406754543 /nfs/dbraw/zinc/75/45/43/406754543.db2.gz LAAVSIMCGURTLD-LJQANCHMSA-N 1 0 311.429 1.975 50 0 DDAARO Cc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000069707698 406759544 /nfs/dbraw/zinc/75/95/44/406759544.db2.gz UXNQCWKFFXWZNA-CYBMUJFWSA-N 1 0 312.410 1.993 50 0 DDAARO COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(CCO)CC1 ZINC000069702633 406760253 /nfs/dbraw/zinc/76/02/53/406760253.db2.gz HEHKRQWSTYYXSG-AWEZNQCLSA-N 1 0 320.433 1.794 50 0 DDAARO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000007592742 406761294 /nfs/dbraw/zinc/76/12/94/406761294.db2.gz WITLLKSUQVETCD-GFCCVEGCSA-N 1 0 305.378 1.457 50 0 DDAARO Cc1nnc2n1CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC000069510818 406726776 /nfs/dbraw/zinc/72/67/76/406726776.db2.gz HDQVJRHTXNQOQV-HNNXBMFYSA-N 1 0 305.426 1.439 50 0 DDAARO CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC000069841298 406778626 /nfs/dbraw/zinc/77/86/26/406778626.db2.gz QIEZLYAPBCOTCJ-KKUMJFAQSA-N 1 0 324.469 1.689 50 0 DDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)NCc2ccccn2)c1 ZINC000069819702 406779158 /nfs/dbraw/zinc/77/91/58/406779158.db2.gz SUXFTNSGLFXONW-KBPBESRZSA-N 1 0 301.394 1.442 50 0 DDAARO c1nnc2ccc(N3CC[NH+](CCc4ccccc4)CC3)nn12 ZINC000069892874 406787460 /nfs/dbraw/zinc/78/74/60/406787460.db2.gz PWFOOPULNUEROA-UHFFFAOYSA-N 1 0 308.389 1.489 50 0 DDAARO CCCC[N@H+](CCO)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000070947610 406829077 /nfs/dbraw/zinc/82/90/77/406829077.db2.gz WGIOVSNJWPITQQ-CQSZACIVSA-N 1 0 322.405 1.037 50 0 DDAARO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000011999480 406833273 /nfs/dbraw/zinc/83/32/73/406833273.db2.gz CRGIYKYZQISKTH-LLVKDONJSA-N 1 0 314.407 1.424 50 0 DDAARO NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000071278936 406836046 /nfs/dbraw/zinc/83/60/46/406836046.db2.gz JCRRNAPLWAMWJV-YOUVMVQBSA-N 1 0 319.380 1.152 50 0 DDAARO C[C@@H](CNC(=O)C1(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000071867443 406857101 /nfs/dbraw/zinc/85/71/01/406857101.db2.gz NFZDVNNBDJQARO-HNNXBMFYSA-N 1 0 301.434 1.470 50 0 DDAARO CC(=O)N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000013321935 406861598 /nfs/dbraw/zinc/86/15/98/406861598.db2.gz LSYHGUILFJTECA-UHFFFAOYSA-N 1 0 321.465 1.722 50 0 DDAARO NC(=O)NC(=O)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000071892916 406862268 /nfs/dbraw/zinc/86/22/68/406862268.db2.gz URMXKLAOKVDJGP-UHFFFAOYSA-N 1 0 315.377 1.327 50 0 DDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccncc2)CC1 ZINC000071920294 406867577 /nfs/dbraw/zinc/86/75/77/406867577.db2.gz PXAKAGVVUGXNFA-HNNXBMFYSA-N 1 0 319.453 1.154 50 0 DDAARO C[NH2+]Cc1ccc([C@@H]2CN(C(C)=O)C[C@H]2C(=O)N(C)C)cc1 ZINC000072344094 406881609 /nfs/dbraw/zinc/88/16/09/406881609.db2.gz XNPBZAFRAPPDPB-JKSUJKDBSA-N 1 0 303.406 1.056 50 0 DDAARO C[C@@H](CNC(=O)c1nccnc1N)[N@@H+]1CCc2ccccc2C1 ZINC000025639326 406899018 /nfs/dbraw/zinc/89/90/18/406899018.db2.gz FGQSCEVOCRPGCC-LBPRGKRZSA-N 1 0 311.389 1.235 50 0 DDAARO CC(C)(CNc1ccc2nnnn2n1)[N@@H+]1CCc2ccccc2C1 ZINC000026725707 406905642 /nfs/dbraw/zinc/90/56/42/406905642.db2.gz GRMONQMIQSRLQL-UHFFFAOYSA-N 1 0 323.404 1.768 50 0 DDAARO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccccc1F ZINC000026903467 406907070 /nfs/dbraw/zinc/90/70/70/406907070.db2.gz PPURZQMGLZWZMW-LBPRGKRZSA-N 1 0 300.337 1.986 50 0 DDAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 ZINC000027034205 406907862 /nfs/dbraw/zinc/90/78/62/406907862.db2.gz NMDMAUJZYNTZNA-NWDGAFQWSA-N 1 0 317.389 1.679 50 0 DDAARO CCN(CC)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000071776450 406842088 /nfs/dbraw/zinc/84/20/88/406842088.db2.gz XTOFWSOUGGQHMW-NSHDSACASA-N 1 0 312.439 1.193 50 0 DDAARO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000075122577 406922373 /nfs/dbraw/zinc/92/23/73/406922373.db2.gz LAIYCONIJPTZOY-CQSZACIVSA-N 1 0 320.437 1.523 50 0 DDAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125871 406922903 /nfs/dbraw/zinc/92/29/03/406922903.db2.gz RDOYIKOCNPJNPV-GFCCVEGCSA-N 1 0 315.373 1.849 50 0 DDAARO CC[C@H]1CN(CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C[C@@H](C)O ZINC000075132863 406923543 /nfs/dbraw/zinc/92/35/43/406923543.db2.gz XSJRTVIUOIIZDN-CABCVRRESA-N 1 0 323.437 1.015 50 0 DDAARO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000030007768 406929589 /nfs/dbraw/zinc/92/95/89/406929589.db2.gz GEOKPEGSAZFUFR-KRWDZBQOSA-N 1 0 312.369 1.817 50 0 DDAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000030637007 406933824 /nfs/dbraw/zinc/93/38/24/406933824.db2.gz AZKSRGADZXDFKQ-UHFFFAOYSA-N 1 0 315.421 1.558 50 0 DDAARO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)COC ZINC000075612727 406936726 /nfs/dbraw/zinc/93/67/26/406936726.db2.gz UYWWCPIMQVCWBD-GFCCVEGCSA-N 1 0 307.394 1.940 50 0 DDAARO Cc1cc2c(ncnc2NCCC(=O)NCC[NH+](C)C)s1 ZINC000031868876 406943535 /nfs/dbraw/zinc/94/35/35/406943535.db2.gz WANSUOZRVNPAFC-UHFFFAOYSA-N 1 0 307.423 1.480 50 0 DDAARO O=c1[nH]c2ccccc2c(=O)n1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000032124016 406946205 /nfs/dbraw/zinc/94/62/05/406946205.db2.gz HBJYFZOEAWYVOX-XJKSGUPXSA-N 1 0 313.401 1.954 50 0 DDAARO COc1cccc(COCC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000032930889 406957141 /nfs/dbraw/zinc/95/71/41/406957141.db2.gz OREZQOQFHOKDJL-UHFFFAOYSA-N 1 0 308.422 1.916 50 0 DDAARO Cc1cc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)n(C)n1 ZINC000043433661 407017569 /nfs/dbraw/zinc/01/75/69/407017569.db2.gz AJAHCTBEQNIXTQ-UHFFFAOYSA-N 1 0 313.405 1.908 50 0 DDAARO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCc2ccccc21 ZINC000045736821 407047946 /nfs/dbraw/zinc/04/79/46/407047946.db2.gz FWCAYZUIVSBRHV-CQSZACIVSA-N 1 0 301.390 1.936 50 0 DDAARO C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc2c(c1)CCCC2 ZINC000077298093 406983612 /nfs/dbraw/zinc/98/36/12/406983612.db2.gz HDLVCFSCHDRWHZ-GFCCVEGCSA-N 1 0 313.405 1.607 50 0 DDAARO C[C@H](CN1C(=O)NC2(CC[NH2+]CC2)C1=O)Oc1ccccc1 ZINC000077539845 406996015 /nfs/dbraw/zinc/99/60/15/406996015.db2.gz NKCWSJJNGPYYKQ-GFCCVEGCSA-N 1 0 303.362 1.128 50 0 DDAARO COCC[NH+]1CCC(NC(=O)Cc2cccc(OC)c2)CC1 ZINC000085468020 407102310 /nfs/dbraw/zinc/10/23/10/407102310.db2.gz XLZLRPSCEPXPPH-UHFFFAOYSA-N 1 0 306.406 1.465 50 0 DDAARO COCC[NH+]1CCC(NC(=O)c2ccc3nsnc3c2)CC1 ZINC000085468033 407102986 /nfs/dbraw/zinc/10/29/86/407102986.db2.gz QBLQJHZLDJQWTG-UHFFFAOYSA-N 1 0 320.418 1.532 50 0 DDAARO CCC(=O)N1CCC([NH2+][C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000089146869 407125050 /nfs/dbraw/zinc/12/50/50/407125050.db2.gz VVVVNPHHRZCREC-HNNXBMFYSA-N 1 0 318.417 1.989 50 0 DDAARO Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186428 407137508 /nfs/dbraw/zinc/13/75/08/407137508.db2.gz BRTLDWIXDMKIIW-CQSZACIVSA-N 1 0 317.433 1.240 50 0 DDAARO O=C(CCCc1nc(C2CC2)no1)N1CC[NH+](CC2CC2)CC1 ZINC000089598169 407140820 /nfs/dbraw/zinc/14/08/20/407140820.db2.gz MJSPEEKNUPUHLZ-UHFFFAOYSA-N 1 0 318.421 1.824 50 0 DDAARO Cn1c(C[N@H+](CC2CCCCC2)C2CC2)cc(=O)n(C)c1=O ZINC000052245076 407148699 /nfs/dbraw/zinc/14/86/99/407148699.db2.gz LKOPELHQLWPKRO-UHFFFAOYSA-N 1 0 305.422 1.629 50 0 DDAARO C[NH+](C)CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000052538994 407152598 /nfs/dbraw/zinc/15/25/98/407152598.db2.gz BMAPYSKSWYPMRN-UHFFFAOYSA-N 1 0 309.797 1.758 50 0 DDAARO C[C@H]1CN(C)CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000089938132 407161313 /nfs/dbraw/zinc/16/13/13/407161313.db2.gz CGUTVBGSMXWKPD-STQMWFEESA-N 1 0 310.467 1.696 50 0 DDAARO O=c1cc(C[NH+]2CCC3(CC2)OCCO3)c2cc(O)ccc2o1 ZINC000054306986 407182353 /nfs/dbraw/zinc/18/23/53/407182353.db2.gz DUGBWHZUNGJNED-UHFFFAOYSA-N 1 0 317.341 1.838 50 0 DDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091664225 407183286 /nfs/dbraw/zinc/18/32/86/407183286.db2.gz ANSVHGHDJOPWSL-AWEZNQCLSA-N 1 0 314.389 1.164 50 0 DDAARO NC(=O)[C@H]1CCC[N@H+](CCNc2ncnc3cccc(F)c32)C1 ZINC000092028893 407185675 /nfs/dbraw/zinc/18/56/75/407185675.db2.gz PUIAHUOHDZOCKV-NSHDSACASA-N 1 0 317.368 1.378 50 0 DDAARO CO[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000096403431 407259965 /nfs/dbraw/zinc/25/99/65/407259965.db2.gz VXOGGOYDEQVCLP-HOCLYGCPSA-N 1 0 305.422 1.126 50 0 DDAARO CC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000096404598 407260612 /nfs/dbraw/zinc/26/06/12/407260612.db2.gz WENOHAYUYPMAPN-HNNXBMFYSA-N 1 0 322.453 1.313 50 0 DDAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000095360111 407209225 /nfs/dbraw/zinc/20/92/25/407209225.db2.gz VDZXENQUIDASBX-UHFFFAOYSA-N 1 0 320.437 1.569 50 0 DDAARO CCOCC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095375578 407211101 /nfs/dbraw/zinc/21/11/01/407211101.db2.gz ACUJWYCRMFHMMU-AWEZNQCLSA-N 1 0 308.426 1.187 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000058381018 407220931 /nfs/dbraw/zinc/22/09/31/407220931.db2.gz DYHJWGGTSIULJN-KFWWJZLASA-N 1 0 306.406 1.030 50 0 DDAARO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)c(F)c1 ZINC000096163775 407242341 /nfs/dbraw/zinc/24/23/41/407242341.db2.gz JAKIENFNYOAMEZ-SWLSCSKDSA-N 1 0 309.385 1.910 50 0 DDAARO CCc1cc(NCC2(O)CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000065462009 407243891 /nfs/dbraw/zinc/24/38/91/407243891.db2.gz IZRQSEAXAQNQRJ-UHFFFAOYSA-N 1 0 320.437 1.983 50 0 DDAARO CC1CC[NH+](C[C@@H]2CCCN(CCCS(N)(=O)=O)C2)CC1 ZINC000096424240 407263955 /nfs/dbraw/zinc/26/39/55/407263955.db2.gz IXZBVKNJEMJMPH-OAHLLOKOSA-N 1 0 317.499 1.109 50 0 DDAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)CC2CCOCC2)C1 ZINC000096427722 407265067 /nfs/dbraw/zinc/26/50/67/407265067.db2.gz UGIYLUSUVSHWLG-AWEZNQCLSA-N 1 0 318.483 1.454 50 0 DDAARO C[C@H](NC(=O)[C@@H]1CCCOC1)C1([NH+]2CCOCC2)CCCC1 ZINC000096449729 407268216 /nfs/dbraw/zinc/26/82/16/407268216.db2.gz PITCUJGVHCDZHB-LSDHHAIUSA-N 1 0 310.438 1.563 50 0 DDAARO CC(C)Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]n1 ZINC000096454791 407269152 /nfs/dbraw/zinc/26/91/52/407269152.db2.gz ROPTYWGUPIQTSB-AWEZNQCLSA-N 1 0 320.437 1.403 50 0 DDAARO C[C@@H](CC1=CC[N@H+](CC(=O)N(C)C)CC1)NC(=O)c1ccco1 ZINC000067489736 407274771 /nfs/dbraw/zinc/27/47/71/407274771.db2.gz AFPSUQPGFNNUJA-ZDUSSCGKSA-N 1 0 319.405 1.508 50 0 DDAARO C[C@H](CNc1ncnc(-n2cccn2)c1N)C[NH+]1CCCC1 ZINC000097104571 407280105 /nfs/dbraw/zinc/28/01/05/407280105.db2.gz DPZKAFZLYCIOPE-GFCCVEGCSA-N 1 0 301.398 1.388 50 0 DDAARO O=C(NCC[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1)c1ccc[nH]1 ZINC000067789661 407284062 /nfs/dbraw/zinc/28/40/62/407284062.db2.gz OBTTZHHIXZANQG-CYBMUJFWSA-N 1 0 301.394 1.770 50 0 DDAARO C/C(=C\c1ccco1)C[NH+]1CCC2(CC1)C(=O)NCCN2C ZINC000067774079 407284471 /nfs/dbraw/zinc/28/44/71/407284471.db2.gz VLZKMJKGSYMWTC-WYMLVPIESA-N 1 0 303.406 1.579 50 0 DDAARO CCc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000097199522 407286350 /nfs/dbraw/zinc/28/63/50/407286350.db2.gz WYTCDIXKESNDIZ-GFCCVEGCSA-N 1 0 302.426 1.966 50 0 DDAARO CC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]c1C ZINC000067895179 407289354 /nfs/dbraw/zinc/28/93/54/407289354.db2.gz ULPAHDPIHKPNEW-ZDUSSCGKSA-N 1 0 319.405 1.346 50 0 DDAARO O=C(CCc1cccs1)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097288730 407290359 /nfs/dbraw/zinc/29/03/59/407290359.db2.gz GISAGHRZAFXQAW-CQSZACIVSA-N 1 0 322.474 1.891 50 0 DDAARO CCSc1ncc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cn1 ZINC000067947227 407291033 /nfs/dbraw/zinc/29/10/33/407291033.db2.gz MBNYYOOCKXGYHF-STQMWFEESA-N 1 0 323.466 1.015 50 0 DDAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1nnc[nH]1 ZINC000067982079 407292678 /nfs/dbraw/zinc/29/26/78/407292678.db2.gz ZHGBOMUAYUBBLR-LBPRGKRZSA-N 1 0 317.368 1.586 50 0 DDAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)C)n(C)c2=O)C1 ZINC000067974899 407292914 /nfs/dbraw/zinc/29/29/14/407292914.db2.gz GOYTVSIQCOXIGZ-CQSZACIVSA-N 1 0 319.449 1.970 50 0 DDAARO C[NH+]1CCC(NC(=O)Nc2cccc(OCC(F)F)n2)CC1 ZINC000097378785 407293326 /nfs/dbraw/zinc/29/33/26/407293326.db2.gz WZZVPOYZECYCTH-UHFFFAOYSA-N 1 0 314.336 1.941 50 0 DDAARO CSc1ncc(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000097528861 407299225 /nfs/dbraw/zinc/29/92/25/407299225.db2.gz STKLYLKXPANTJQ-HNNXBMFYSA-N 1 0 322.478 1.885 50 0 DDAARO O=C(Nc1ccc(F)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122452929 407301496 /nfs/dbraw/zinc/30/14/96/407301496.db2.gz LDLKKCZSWGSYBF-GFCCVEGCSA-N 1 0 322.384 1.843 50 0 DDAARO O=c1[nH]c(NC[C@H](O)C[NH+]2CCCCC2)nc2ccccc21 ZINC000097995056 407304016 /nfs/dbraw/zinc/30/40/16/407304016.db2.gz IPEGEENQCBRQAN-LBPRGKRZSA-N 1 0 302.378 1.182 50 0 DDAARO CC1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cn2)CC1 ZINC000124324793 407354650 /nfs/dbraw/zinc/35/46/50/407354650.db2.gz HPKXPABHVDOJGI-CQSZACIVSA-N 1 0 302.422 1.752 50 0 DDAARO CC[C@H]1CN(CCOc2ccccc2F)CC[N@@H+]1C[C@H](C)O ZINC000106841058 407362575 /nfs/dbraw/zinc/36/25/75/407362575.db2.gz HUNPOZIJRWGYML-GJZGRUSLSA-N 1 0 310.413 1.982 50 0 DDAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@@H](CO)C1 ZINC000107356764 407374518 /nfs/dbraw/zinc/37/45/18/407374518.db2.gz YQOILBDJBCIBTJ-HZPDHXFCSA-N 1 0 309.454 1.665 50 0 DDAARO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000108456241 407386148 /nfs/dbraw/zinc/38/61/48/407386148.db2.gz ADYZWCOGXLBVTI-ZIAGYGMSSA-N 1 0 303.472 1.427 50 0 DDAARO CN(C(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC[NH2+]CC1 ZINC000125366316 407386838 /nfs/dbraw/zinc/38/68/38/407386838.db2.gz JZHFSHVWMZZDGY-UHFFFAOYSA-N 1 0 320.784 1.140 50 0 DDAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000107915583 407381278 /nfs/dbraw/zinc/38/12/78/407381278.db2.gz OOWQASNUAJTIGM-SNVBAGLBSA-N 1 0 308.325 1.817 50 0 DDAARO CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125883745 407400127 /nfs/dbraw/zinc/40/01/27/407400127.db2.gz HNZCAVASAQBOHA-ZDUSSCGKSA-N 1 0 314.389 1.705 50 0 DDAARO CCOc1ccc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c(OCC)c1C ZINC000215483110 407482359 /nfs/dbraw/zinc/48/23/59/407482359.db2.gz WHPZUIDZRWWYKF-HOTGVXAUSA-N 1 0 322.449 1.899 50 0 DDAARO COCCn1ccnc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000215398609 407483203 /nfs/dbraw/zinc/48/32/03/407483203.db2.gz SDHKBKGDBYFCJU-UHFFFAOYSA-N 1 0 322.453 1.074 50 0 DDAARO Cc1ccnn1CCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000219958099 407535171 /nfs/dbraw/zinc/53/51/71/407535171.db2.gz XKOCZGXMNVVHJU-UHFFFAOYSA-N 1 0 320.437 1.341 50 0 DDAARO 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NC(=O)[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1ccccc1 ZINC000056162180 184006021 /nfs/dbraw/zinc/00/60/21/184006021.db2.gz MLCVLJGIUAQNFI-MRXNPFEDSA-N 1 0 314.341 1.610 50 0 DDAARO O[C@H](COc1ccccc1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057942186 184063274 /nfs/dbraw/zinc/06/32/74/184063274.db2.gz BSHCOVGEPUWMGI-FUHWJXTLSA-N 1 0 320.433 1.223 50 0 DDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)CN2 ZINC000058299877 184102844 /nfs/dbraw/zinc/10/28/44/184102844.db2.gz LYJFXLXAGVIKOJ-LSDHHAIUSA-N 1 0 316.405 1.263 50 0 DDAARO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000058330292 184106107 /nfs/dbraw/zinc/10/61/07/184106107.db2.gz OAAYPMUJRFFMNB-GFCCVEGCSA-N 1 0 307.394 1.588 50 0 DDAARO COC(=O)[C@H](C)C[N@H+](CCC(=O)N(C)C)Cc1ccccc1 ZINC000060333760 184146312 /nfs/dbraw/zinc/14/63/12/184146312.db2.gz CYLPNGLTRZGDOC-CQSZACIVSA-N 1 0 306.406 1.776 50 0 DDAARO CS[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000061422618 184171002 /nfs/dbraw/zinc/17/10/02/184171002.db2.gz 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COc1cc(C(=O)OC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000000531220 406653303 /nfs/dbraw/zinc/65/33/03/406653303.db2.gz KMYOKMGCEJIEPW-UHFFFAOYSA-N 1 0 309.362 1.963 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)CSc1ncccn1)c1ccccc1 ZINC000006913405 406745429 /nfs/dbraw/zinc/74/54/29/406745429.db2.gz LUSMPTABJJQCQQ-AWEZNQCLSA-N 1 0 316.430 1.988 50 0 DDAARO O=C(C[N@@H+]1CCCC[C@H]1Cn1cccn1)NC1CCOCC1 ZINC000069632195 406747741 /nfs/dbraw/zinc/74/77/41/406747741.db2.gz PKLQSYFZVLIZQS-HNNXBMFYSA-N 1 0 306.410 1.033 50 0 DDAARO CC[NH+]1CCC(NC(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000007964234 406772168 /nfs/dbraw/zinc/77/21/68/406772168.db2.gz INLRMYLVHDFFRA-UHFFFAOYSA-N 1 0 314.389 1.148 50 0 DDAARO CCc1noc(CN(C)C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000069768921 406768178 /nfs/dbraw/zinc/76/81/78/406768178.db2.gz DYSRTBBAGQPDBM-BETUJISGSA-N 1 0 323.441 1.751 50 0 DDAARO OCC[NH2+]CCOCCOc1cccc(Br)c1 ZINC000003003510 406708537 /nfs/dbraw/zinc/70/85/37/406708537.db2.gz KILDZVXTJGLPNV-UHFFFAOYSA-N 1 0 304.184 1.426 50 0 DDAARO OCC[NH+]1CCC(CNc2nccc(C(F)(F)F)n2)CC1 ZINC000069417737 406708504 /nfs/dbraw/zinc/70/85/04/406708504.db2.gz CZTCCJCADJKSCN-UHFFFAOYSA-N 1 0 304.316 1.612 50 0 DDAARO Cc1nnc2ccc(C(=O)N3CCC[C@H]3[C@H]3CCC[N@H+]3C)cn12 ZINC000069778940 406770518 /nfs/dbraw/zinc/77/05/18/406770518.db2.gz WKYBJKLFUAIKKP-CABCVRRESA-N 1 0 313.405 1.737 50 0 DDAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(Cl)nn2)CC1 ZINC000004751255 406728623 /nfs/dbraw/zinc/72/86/23/406728623.db2.gz NYEMRDJZJDQQKB-UHFFFAOYSA-N 1 0 323.828 1.440 50 0 DDAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000069808922 406774316 /nfs/dbraw/zinc/77/43/16/406774316.db2.gz CLXPBPUQIMALMA-CQSZACIVSA-N 1 0 314.433 1.924 50 0 DDAARO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)N1CCc2ccccc2C1 ZINC000069949417 406794590 /nfs/dbraw/zinc/79/45/90/406794590.db2.gz HFCBYOAYDIDMPY-GOSISDBHSA-N 1 0 324.428 1.932 50 0 DDAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008328498 406786156 /nfs/dbraw/zinc/78/61/56/406786156.db2.gz JRDSCURZUMXSHH-TZMCWYRMSA-N 1 0 310.419 1.489 50 0 DDAARO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC2CC2)CC1 ZINC000069974608 406799493 /nfs/dbraw/zinc/79/94/93/406799493.db2.gz FAZQUHCRMZKAMQ-UHFFFAOYSA-N 1 0 322.453 1.173 50 0 DDAARO COC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccco2)c1 ZINC000009863769 406815770 /nfs/dbraw/zinc/81/57/70/406815770.db2.gz QBBULHWBPJODLY-ZDUSSCGKSA-N 1 0 305.330 1.596 50 0 DDAARO COc1ccc(-c2cc(C(=O)N3CCC([NH3+])CC3)[nH]n2)cc1 ZINC000070451518 406817296 /nfs/dbraw/zinc/81/72/96/406817296.db2.gz SEDFSZUCKVKUIL-UHFFFAOYSA-N 1 0 300.362 1.649 50 0 DDAARO C[NH+](C)CCCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000010111421 406818631 /nfs/dbraw/zinc/81/86/31/406818631.db2.gz QNLDMQFKKMWZJQ-UHFFFAOYSA-N 1 0 311.385 1.868 50 0 DDAARO Cc1c[nH+]ccc1N1CCC[N@H+](Cc2c[nH]nc2C(=O)[O-])CC1 ZINC000071405548 406838171 /nfs/dbraw/zinc/83/81/71/406838171.db2.gz DNWCIWNUYVHZRA-UHFFFAOYSA-N 1 0 315.377 1.524 50 0 DDAARO CC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000071867417 406856707 /nfs/dbraw/zinc/85/67/07/406856707.db2.gz ZIHNEIQAUUULAV-WBVHZDCISA-N 1 0 303.450 1.932 50 0 DDAARO COc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(OC)c1 ZINC000071867447 406857121 /nfs/dbraw/zinc/85/71/21/406857121.db2.gz JBJAMXRUMRWZFJ-ZDUSSCGKSA-N 1 0 321.421 1.070 50 0 DDAARO Cc1ccc2nc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)cc(=O)n2c1 ZINC000071882088 406861229 /nfs/dbraw/zinc/86/12/29/406861229.db2.gz NFVWNPLUNXSRJM-KBPBESRZSA-N 1 0 311.389 1.939 50 0 DDAARO C[C@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000071897731 406863616 /nfs/dbraw/zinc/86/36/16/406863616.db2.gz WLHVVZNTBDULSK-WBVHZDCISA-N 1 0 318.465 1.725 50 0 DDAARO CC[NH+](CC)Cc1ccc(CNc2ccc3nnnn3n2)cc1 ZINC000014135774 406870672 /nfs/dbraw/zinc/87/06/72/406870672.db2.gz JLXZNCQFDXXOCV-UHFFFAOYSA-N 1 0 311.393 1.973 50 0 DDAARO c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CCc3nncn3C2)n1 ZINC000072252913 406875230 /nfs/dbraw/zinc/87/52/30/406875230.db2.gz QWOWOWZOLKVIHA-MRXNPFEDSA-N 1 0 322.416 1.875 50 0 DDAARO CCc1nc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000072269330 406875994 /nfs/dbraw/zinc/87/59/94/406875994.db2.gz BOJVWRMFSQZYIC-KGLIPLIRSA-N 1 0 323.462 1.306 50 0 DDAARO C[C@H](Cn1ccnc1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072960827 406886718 /nfs/dbraw/zinc/88/67/18/406886718.db2.gz QAGNFMPYXLRZBP-OAHLLOKOSA-N 1 0 320.437 1.423 50 0 DDAARO COc1cc2cc(C(=O)N3CCN(C)CC3)[nH]c2cc1OC ZINC000020548502 406887760 /nfs/dbraw/zinc/88/77/60/406887760.db2.gz MGCRVJJMMYMDRG-UHFFFAOYSA-N 1 0 303.362 1.573 50 0 DDAARO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000025629741 406899430 /nfs/dbraw/zinc/89/94/30/406899430.db2.gz ZTNDUDGNITYNMD-LBPRGKRZSA-N 1 0 312.373 1.359 50 0 DDAARO CC(C)C[C@@H](CNc1ncnc2c1cnn2C)[NH+]1CCOCC1 ZINC000026146294 406902639 /nfs/dbraw/zinc/90/26/39/406902639.db2.gz ZORPHBGMVKQRIR-ZDUSSCGKSA-N 1 0 318.425 1.522 50 0 DDAARO Cc1cc(C)n(C)c(=O)c1C(=O)N(C)CC[N@H+]1CCCC[C@@H]1C ZINC000071774653 406842038 /nfs/dbraw/zinc/84/20/38/406842038.db2.gz TUVJORMDLKWMBD-AWEZNQCLSA-N 1 0 319.449 1.949 50 0 DDAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccco2)cn1 ZINC000071799302 406844387 /nfs/dbraw/zinc/84/43/87/406844387.db2.gz UVUPEFKEKHMBOQ-GOEBONIOSA-N 1 0 305.378 1.728 50 0 DDAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000035421792 406972104 /nfs/dbraw/zinc/97/21/04/406972104.db2.gz HZTKOZLNHDQIHY-UHFFFAOYSA-N 1 0 303.406 1.279 50 0 DDAARO O=C(C[N@@H+]1CC[C@H](CSc2ccccc2)C1)N1CCOCC1 ZINC000075964556 406948538 /nfs/dbraw/zinc/94/85/38/406948538.db2.gz NJPYNPMFMKCTAD-HNNXBMFYSA-N 1 0 320.458 1.959 50 0 DDAARO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CO)c(OC)c1 ZINC000032682374 406951023 /nfs/dbraw/zinc/95/10/23/406951023.db2.gz NJHMHZOAKJEEST-GJBLVYBDSA-N 1 0 309.406 1.829 50 0 DDAARO COCCOc1ncccc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000076051637 406951568 /nfs/dbraw/zinc/95/15/68/406951568.db2.gz SNKNQCSTULRFEL-JSGCOSHPSA-N 1 0 307.394 1.129 50 0 DDAARO O[C@@]1(CN2CCc3[nH]c4c(cccc4Cl)c3C2)CC[NH2+]C1 ZINC000077406361 406990008 /nfs/dbraw/zinc/99/00/08/406990008.db2.gz RMNPQZZFGZQMTN-INIZCTEOSA-N 1 0 305.809 1.904 50 0 DDAARO Cc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)[nH]n1 ZINC000077439782 406991457 /nfs/dbraw/zinc/99/14/57/406991457.db2.gz VENONGXPNSUIFB-AWEZNQCLSA-N 1 0 319.453 1.206 50 0 DDAARO Cn1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000077470851 406992004 /nfs/dbraw/zinc/99/20/04/406992004.db2.gz LLDGVQOBZXTYSO-UHFFFAOYSA-N 1 0 324.428 1.735 50 0 DDAARO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(CO)CC1 ZINC000046091291 407053709 /nfs/dbraw/zinc/05/37/09/407053709.db2.gz MQOQAOWSHISDBU-UHFFFAOYSA-N 1 0 302.374 1.377 50 0 DDAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H](O)C3)CC2)c1 ZINC000084210753 407085021 /nfs/dbraw/zinc/08/50/21/407085021.db2.gz LKFVYUVCWZSXJH-KRWDZBQOSA-N 1 0 317.433 1.100 50 0 DDAARO Cc1nsc(NC(=O)N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000055120024 407194947 /nfs/dbraw/zinc/19/49/47/407194947.db2.gz XEXIYYBNSNGBPR-UHFFFAOYSA-N 1 0 318.406 1.986 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCO)C1CC1)c1cccs1 ZINC000089312238 407130548 /nfs/dbraw/zinc/13/05/48/407130548.db2.gz MMWGHNMFCDVBHG-STQMWFEESA-N 1 0 311.451 1.811 50 0 DDAARO Cc1cc(CN(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)no1 ZINC000089601072 407140590 /nfs/dbraw/zinc/14/05/90/407140590.db2.gz CAJSWKZHKISUCH-UHFFFAOYSA-N 1 0 323.441 1.150 50 0 DDAARO Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000052093364 407147497 /nfs/dbraw/zinc/14/74/97/407147497.db2.gz SWTJGLQNWLKWKO-JTQLQIEISA-N 1 0 319.224 1.398 50 0 DDAARO C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000089937862 407159675 /nfs/dbraw/zinc/15/96/75/407159675.db2.gz DNVXKCQWIQIGEB-DOTOQJQBSA-N 1 0 316.449 1.456 50 0 DDAARO Cc1c(C[NH2+][C@H](C)Cn2cc(Br)cn2)cnn1C ZINC000090887937 407172494 /nfs/dbraw/zinc/17/24/94/407172494.db2.gz IUARUTZICAVBRO-SECBINFHSA-N 1 0 312.215 1.866 50 0 DDAARO NC(=O)CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091270251 407181813 /nfs/dbraw/zinc/18/18/13/407181813.db2.gz 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407226717 /nfs/dbraw/zinc/22/67/17/407226717.db2.gz FHTJWNUFHHOCEI-UHFFFAOYSA-N 1 0 304.390 1.948 50 0 DDAARO Cn1ccnc1CN(C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)C1CC1 ZINC000063882664 407236210 /nfs/dbraw/zinc/23/62/10/407236210.db2.gz ATTJWMVHAAICSX-SJLPKXTDSA-N 1 0 318.465 1.764 50 0 DDAARO Cn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000096136461 407239555 /nfs/dbraw/zinc/23/95/55/407239555.db2.gz WEEVQAYLUMIIER-ZDUSSCGKSA-N 1 0 300.366 1.211 50 0 DDAARO CCNC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256083 407241045 /nfs/dbraw/zinc/24/10/45/407241045.db2.gz QNTSFUBWVVGOBY-MRXNPFEDSA-N 1 0 310.401 1.982 50 0 DDAARO C[C@@H](CCc1ccccc1)Nc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101694082 407315046 /nfs/dbraw/zinc/31/50/46/407315046.db2.gz RONCIJBENXBUKH-ZDUSSCGKSA-N 1 0 315.417 1.689 50 0 DDAARO Cn1cc2ncn(CCC3=CSC4=NCCCN34)c(=O)c2n1 ZINC000102350371 407321825 /nfs/dbraw/zinc/32/18/25/407321825.db2.gz WPDVTDJFEVMBQL-UHFFFAOYSA-N 1 0 316.390 1.170 50 0 DDAARO CN(CCO)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000096502594 407273020 /nfs/dbraw/zinc/27/30/20/407273020.db2.gz NLJHFKPKADHLMQ-YESZJQIVSA-N 1 0 317.433 1.531 50 0 DDAARO CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCOC3)cc2)CC1 ZINC000097039082 407275999 /nfs/dbraw/zinc/27/59/99/407275999.db2.gz YJKSTXRTDYLUOG-INIZCTEOSA-N 1 0 304.390 1.774 50 0 DDAARO CN1C(=O)N[C@](Cc2ccccc2F)(C2CC[NH2+]CC2)C1=O ZINC000067642035 407278219 /nfs/dbraw/zinc/27/82/19/407278219.db2.gz FLVYSJNFEOTKEP-MRXNPFEDSA-N 1 0 305.353 1.288 50 0 DDAARO Cn1cc([C@](C)(O)C[NH2+]C2CCN(c3nccs3)CC2)cn1 ZINC000097081051 407278966 /nfs/dbraw/zinc/27/89/66/407278966.db2.gz JOEMQGDOTLXGOQ-OAHLLOKOSA-N 1 0 321.450 1.343 50 0 DDAARO CCOc1ccc(-n2c(=O)[nH]nc2[C@H]2CCC[N@H+](C)C2)cc1 ZINC000067713843 407281624 /nfs/dbraw/zinc/28/16/24/407281624.db2.gz RXIZUDNVWGHNKO-LBPRGKRZSA-N 1 0 302.378 1.769 50 0 DDAARO Cc1nc(SCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000067757135 407283510 /nfs/dbraw/zinc/28/35/10/407283510.db2.gz FRNIZYLIVNZPPO-GFCCVEGCSA-N 1 0 311.455 1.442 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000097159920 407284175 /nfs/dbraw/zinc/28/41/75/407284175.db2.gz GQFJSDHMPWDJNG-INIZCTEOSA-N 1 0 307.369 1.455 50 0 DDAARO CN1C(=O)[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000097217520 407288049 /nfs/dbraw/zinc/28/80/49/407288049.db2.gz MRZQFJQMBWZUEV-KGLIPLIRSA-N 1 0 302.374 1.510 50 0 DDAARO CCCN1C[C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)CC1=O ZINC000067920974 407290487 /nfs/dbraw/zinc/29/04/87/407290487.db2.gz TYIBDIWGSWEMEW-KRWDZBQOSA-N 1 0 316.449 1.647 50 0 DDAARO Cc1nc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)no1 ZINC000067934532 407290919 /nfs/dbraw/zinc/29/09/19/407290919.db2.gz UYMIEWIFWIBXHS-ZDUSSCGKSA-N 1 0 313.361 1.388 50 0 DDAARO Cc1nc2ncccn2c1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067947547 407291294 /nfs/dbraw/zinc/29/12/94/407291294.db2.gz ZEHAALNNZGTNEA-UHFFFAOYSA-N 1 0 312.377 1.972 50 0 DDAARO Cc1cccc(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c1O ZINC000067948109 407292165 /nfs/dbraw/zinc/29/21/65/407292165.db2.gz RWMIVGCKGJMCAP-UHFFFAOYSA-N 1 0 317.433 1.553 50 0 DDAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1coc(CN2CCOCC2)c1 ZINC000097574966 407300108 /nfs/dbraw/zinc/30/01/08/407300108.db2.gz IIMOPRNIHGRLOS-OAHLLOKOSA-N 1 0 321.421 1.326 50 0 DDAARO CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000097717293 407301686 /nfs/dbraw/zinc/30/16/86/407301686.db2.gz XILSZNNTFJXMKI-CQSZACIVSA-N 1 0 312.797 1.733 50 0 DDAARO CCN(CC[NH+]1CCCC1)C(=O)c1c(C)nc2ncccn21 ZINC000097815200 407302876 /nfs/dbraw/zinc/30/28/76/407302876.db2.gz FGGKDLZTNXXVMJ-UHFFFAOYSA-N 1 0 301.394 1.596 50 0 DDAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)/C=C/C2CCCCC2)C1 ZINC000104092076 407346549 /nfs/dbraw/zinc/34/65/49/407346549.db2.gz AOPFKUAJMCWKSW-ZNFPLGDCSA-N 1 0 321.465 1.827 50 0 DDAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc(F)c1 ZINC000106911700 407366543 /nfs/dbraw/zinc/36/65/43/407366543.db2.gz JAGNBWIXAAVCDI-WFASDCNBSA-N 1 0 312.410 1.824 50 0 DDAARO Cc1c(CCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cnn1C ZINC000170677767 407471617 /nfs/dbraw/zinc/47/16/17/407471617.db2.gz VWNOGCDYXZBCLA-BLLLJJGKSA-N 1 0 300.406 1.723 50 0 DDAARO COc1ccc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)cn1 ZINC000215254158 407482954 /nfs/dbraw/zinc/48/29/54/407482954.db2.gz NSIWOEWBXIDEAG-UHFFFAOYSA-N 1 0 302.378 1.314 50 0 DDAARO CCn1ncnc1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000215828210 407491853 /nfs/dbraw/zinc/49/18/53/407491853.db2.gz RZLFOXSEMWJHJQ-UHFFFAOYSA-N 1 0 300.410 1.401 50 0 DDAARO [NH3+][C@H]1CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000216297132 407495209 /nfs/dbraw/zinc/49/52/09/407495209.db2.gz LTHURXLDRDYIRJ-KRWDZBQOSA-N 1 0 319.449 1.321 50 0 DDAARO O=C(N[C@H]1COC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1O ZINC000217732700 407507866 /nfs/dbraw/zinc/50/78/66/407507866.db2.gz PZESMYKJZXFNOR-LLVKDONJSA-N 1 0 310.781 1.687 50 0 DDAARO COCCOCC[N@@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000170599801 407448052 /nfs/dbraw/zinc/44/80/52/407448052.db2.gz PVJAIURSEPPZJY-AWEZNQCLSA-N 1 0 300.424 1.705 50 0 DDAARO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000253432158 407450607 /nfs/dbraw/zinc/45/06/07/407450607.db2.gz IZNIVFKJXAEZOP-GOEBONIOSA-N 1 0 308.447 1.998 50 0 DDAARO C[C@@H]([NH2+]CCc1ccc(S(C)(=O)=O)cc1)c1cncn1C ZINC000225386246 407581146 /nfs/dbraw/zinc/58/11/46/407581146.db2.gz QXPOHHPRLFBWDX-GFCCVEGCSA-N 1 0 307.419 1.717 50 0 DDAARO CSC1(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)CC1 ZINC000225420338 407584597 /nfs/dbraw/zinc/58/45/97/407584597.db2.gz CGMCVLJRIYOQAB-UHFFFAOYSA-N 1 0 318.450 1.450 50 0 DDAARO CC[C@@H]1CN(C(=O)c2c[nH]nc2C)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000225427140 407585327 /nfs/dbraw/zinc/58/53/27/407585327.db2.gz WGVAWPBPTNIXMB-KGLIPLIRSA-N 1 0 322.453 1.804 50 0 DDAARO CCc1c(C)nn(CC(=O)N2CC([NH+]3CCCCC3)C2)c1C ZINC000220077415 407537388 /nfs/dbraw/zinc/53/73/88/407537388.db2.gz TXQQIRRRBGUGMV-UHFFFAOYSA-N 1 0 304.438 1.759 50 0 DDAARO COCC1(CNc2ccccc2S(C)(=O)=O)CC[NH2+]CC1 ZINC000261771920 407611006 /nfs/dbraw/zinc/61/10/06/407611006.db2.gz 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ZINC000229386623 284059809 /nfs/dbraw/zinc/05/98/09/284059809.db2.gz GIKQKSSFUSXXML-ZBFHGGJFSA-N 1 0 311.389 1.624 50 0 DDAARO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)Cc1noc2ccccc12 ZINC000261680348 203093667 /nfs/dbraw/zinc/09/36/67/203093667.db2.gz LSEOXERMHWEXHM-ZYHUDNBSSA-N 1 0 309.391 1.388 50 0 DDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261802613 203119276 /nfs/dbraw/zinc/11/92/76/203119276.db2.gz YUEWWYLXGWKHOI-WCQYABFASA-N 1 0 302.296 1.082 50 0 DDAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)C1=NNC(=O)CC1 ZINC000012056591 284171033 /nfs/dbraw/zinc/17/10/33/284171033.db2.gz ATKWLIGTWYJLRX-ZDUSSCGKSA-N 1 0 320.437 1.556 50 0 DDAARO COCC(=O)Nc1cccc(NC(=O)N2CC[C@H]([NH3+])C2)c1C ZINC000096140853 193551460 /nfs/dbraw/zinc/55/14/60/193551460.db2.gz MTIZBSIEVYZZAJ-NSHDSACASA-N 1 0 306.366 1.145 50 0 DDAARO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000096181178 193561019 /nfs/dbraw/zinc/56/10/19/193561019.db2.gz YUGARJLSXIBPGF-SWLSCSKDSA-N 1 0 323.462 1.726 50 0 DDAARO O=C(N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1)c1ccon1 ZINC000091808870 284243611 /nfs/dbraw/zinc/24/36/11/284243611.db2.gz ANBHDHDDMDXVGI-HIFRSBDPSA-N 1 0 305.378 1.294 50 0 DDAARO CCn1cc(C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1 ZINC000019145423 182106093 /nfs/dbraw/zinc/10/60/93/182106093.db2.gz ONLDYUANWNOMHN-QGZVFWFLSA-N 1 0 312.417 1.836 50 0 DDAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCN(CCO)CC2)c1 ZINC000019853456 182157594 /nfs/dbraw/zinc/15/75/94/182157594.db2.gz KWRJZUOLAHNTFX-UHFFFAOYSA-N 1 0 305.422 1.242 50 0 DDAARO OCCN1CC[NH+](C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000019889069 182160894 /nfs/dbraw/zinc/16/08/94/182160894.db2.gz CEAFNLACWNDGIB-UHFFFAOYSA-N 1 0 321.440 1.400 50 0 DDAARO Cc1cc(C(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119622 182189539 /nfs/dbraw/zinc/18/95/39/182189539.db2.gz ADDIEMBJYCAYNU-CYBMUJFWSA-N 1 0 305.426 1.007 50 0 DDAARO O=S(=O)(N1CCCC1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000020135955 182190557 /nfs/dbraw/zinc/19/05/57/182190557.db2.gz 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O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1=NNC(=O)CC1 ZINC000065476181 184351616 /nfs/dbraw/zinc/35/16/16/184351616.db2.gz IUBHBWQGDUAYIV-LBPRGKRZSA-N 1 0 320.418 1.267 50 0 DDAARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 ZINC000065400976 184336269 /nfs/dbraw/zinc/33/62/69/184336269.db2.gz HLVBPSNNGNZKLL-LBPRGKRZSA-N 1 0 316.409 1.740 50 0 DDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000065403885 184337215 /nfs/dbraw/zinc/33/72/15/184337215.db2.gz HONRIMGXFRSHKJ-GFCCVEGCSA-N 1 0 323.824 1.761 50 0 DDAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000065566902 184367125 /nfs/dbraw/zinc/36/71/25/184367125.db2.gz HFWQTHLMUQKTFD-KRWDZBQOSA-N 1 0 322.416 1.936 50 0 DDAARO Cc1ccc(OCC(=O)NCCN2CC[NH+](C)CC2)cc1C ZINC000065565966 184367169 /nfs/dbraw/zinc/36/71/69/184367169.db2.gz NMLOLILFENGKQK-UHFFFAOYSA-N 1 0 305.422 1.046 50 0 DDAARO CNc1ncc(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC000065499006 184355465 /nfs/dbraw/zinc/35/54/65/184355465.db2.gz 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ZINC000073102643 257239978 /nfs/dbraw/zinc/23/99/78/257239978.db2.gz MMLPETLQVVJCAL-AWEZNQCLSA-N 1 0 314.389 1.420 50 0 DDAARO Cn1ncc2c1ncnc2N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000521396648 257240045 /nfs/dbraw/zinc/24/00/45/257240045.db2.gz YCHXDYSGXOGSEE-HNNXBMFYSA-N 1 0 322.416 1.726 50 0 DDAARO CC/C=C(/C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122174818 195414393 /nfs/dbraw/zinc/41/43/93/195414393.db2.gz HOULMQJHFUXBIJ-KERCULKWSA-N 1 0 307.438 1.450 50 0 DDAARO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccccc1 ZINC000069349634 406698557 /nfs/dbraw/zinc/69/85/57/406698557.db2.gz AKCWXIGLOSYYBW-UHFFFAOYSA-N 1 0 319.430 1.834 50 0 DDAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000000415629 406644699 /nfs/dbraw/zinc/64/46/99/406644699.db2.gz MXHVTBXGPRBXKK-UHFFFAOYSA-N 1 0 318.358 1.387 50 0 DDAARO CN(C)C(=O)CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000069530758 406731559 /nfs/dbraw/zinc/73/15/59/406731559.db2.gz HIODVRGFFKZYCF-CQSZACIVSA-N 1 0 322.384 1.500 50 0 DDAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000069534737 406732320 /nfs/dbraw/zinc/73/23/20/406732320.db2.gz UYGVUJJVAUCSPP-INIZCTEOSA-N 1 0 319.453 1.762 50 0 DDAARO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000069601939 406742752 /nfs/dbraw/zinc/74/27/52/406742752.db2.gz ZWBKLXNZYGYYNL-ZDUSSCGKSA-N 1 0 312.435 1.718 50 0 DDAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069697398 406757641 /nfs/dbraw/zinc/75/76/41/406757641.db2.gz AWGUJNUKOFXHFG-DLBZAZTESA-N 1 0 321.469 1.083 50 0 DDAARO CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nc(N(C)C)cc(C)[nH+]1 ZINC000069706066 406760728 /nfs/dbraw/zinc/76/07/28/406760728.db2.gz WAIBADQPFRTHPF-LSDHHAIUSA-N 1 0 317.437 1.831 50 0 DDAARO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CCc3ncnn3C2)on1 ZINC000069740476 406764761 /nfs/dbraw/zinc/76/47/61/406764761.db2.gz GBKSATLAOAAMJC-JTQLQIEISA-N 1 0 318.381 1.107 50 0 DDAARO CCc1noc(CN(C)C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000069768927 406768574 /nfs/dbraw/zinc/76/85/74/406768574.db2.gz DYSRTBBAGQPDBM-CHWSQXEVSA-N 1 0 323.441 1.751 50 0 DDAARO Cc1cc(Br)ccc1OCC(=O)NCC[NH+](C)C ZINC000003001802 406708835 /nfs/dbraw/zinc/70/88/35/406708835.db2.gz ZBWKBKMNXUIBOR-UHFFFAOYSA-N 1 0 315.211 1.814 50 0 DDAARO Clc1cc(C[NH2+][C@H]2CCc3ncnn3C2)cc2c1OCCO2 ZINC000069491658 406722326 /nfs/dbraw/zinc/72/23/26/406722326.db2.gz YFMQFTZWYOPNBI-NSHDSACASA-N 1 0 320.780 1.807 50 0 DDAARO CNC(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000069510164 406725407 /nfs/dbraw/zinc/72/54/07/406725407.db2.gz RTVONSVNIAMAAX-GJZGRUSLSA-N 1 0 316.405 1.140 50 0 DDAARO CC(C)OCC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069516892 406726600 /nfs/dbraw/zinc/72/66/00/406726600.db2.gz BUHLEJVWFKHPBF-GFCCVEGCSA-N 1 0 300.424 1.752 50 0 DDAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069521302 406728025 /nfs/dbraw/zinc/72/80/25/406728025.db2.gz PFFCZSFYRNBFRF-CQSZACIVSA-N 1 0 324.388 1.781 50 0 DDAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000069529371 406728091 /nfs/dbraw/zinc/72/80/91/406728091.db2.gz HEUIYPDOELWKQN-ZIAGYGMSSA-N 1 0 306.406 1.902 50 0 DDAARO CCc1cc(=O)[nH]c(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000007996387 406775342 /nfs/dbraw/zinc/77/53/42/406775342.db2.gz PACNHFCSZOEZHS-UHFFFAOYSA-N 1 0 313.405 1.828 50 0 DDAARO COc1ccccc1C(C)(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000069812354 406776248 /nfs/dbraw/zinc/77/62/48/406776248.db2.gz IUEIUYKWDPAYIE-UHFFFAOYSA-N 1 0 319.405 1.850 50 0 DDAARO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000069892981 406786006 /nfs/dbraw/zinc/78/60/06/406786006.db2.gz OFOGLEZKTJAEIQ-HNNXBMFYSA-N 1 0 311.451 1.124 50 0 DDAARO Cc1cnn(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000069879598 406786619 /nfs/dbraw/zinc/78/66/19/406786619.db2.gz XXGDMABZMOSQAZ-UHFFFAOYSA-N 1 0 300.341 1.701 50 0 DDAARO CN(C)C(=O)COc1ccccc1C[NH2+]CCn1cccn1 ZINC000069922440 406791602 /nfs/dbraw/zinc/79/16/02/406791602.db2.gz RJFPVVVSGPKJDD-UHFFFAOYSA-N 1 0 302.378 1.140 50 0 DDAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069979356 406801553 /nfs/dbraw/zinc/80/15/53/406801553.db2.gz PEHUFYHAGICJPP-NSHDSACASA-N 1 0 300.834 1.617 50 0 DDAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)COC)cc1 ZINC000009313643 406804723 /nfs/dbraw/zinc/80/47/23/406804723.db2.gz AQMQYLBMBZABBU-JSGCOSHPSA-N 1 0 311.378 1.228 50 0 DDAARO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000071397405 406839625 /nfs/dbraw/zinc/83/96/25/406839625.db2.gz JDWONWOCMVMWPA-VIFPVBQESA-N 1 0 324.324 1.616 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(F)cc1 ZINC000010332692 406821335 /nfs/dbraw/zinc/82/13/35/406821335.db2.gz QIBPRWNRYHTDBE-LBPRGKRZSA-N 1 0 320.324 1.171 50 0 DDAARO C[N@H+](CCC(=O)NC(N)=O)Cc1ccc(Br)s1 ZINC000011282809 406827287 /nfs/dbraw/zinc/82/72/87/406827287.db2.gz WUKVKXGTRNXYDZ-UHFFFAOYSA-N 1 0 320.212 1.527 50 0 DDAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCC(O)CC1 ZINC000011818524 406830534 /nfs/dbraw/zinc/83/05/34/406830534.db2.gz HMWYWIMJDQLPTB-GOSISDBHSA-N 1 0 324.465 1.377 50 0 DDAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](CCCn2cccn2)C1 ZINC000011934294 406832292 /nfs/dbraw/zinc/83/22/92/406832292.db2.gz GZUOXTPAEBTTMZ-KRWDZBQOSA-N 1 0 323.437 1.955 50 0 DDAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1CCc1ccc(F)cc1 ZINC000012036698 406834747 /nfs/dbraw/zinc/83/47/47/406834747.db2.gz RCVSDHYYRILEOM-INIZCTEOSA-N 1 0 308.397 1.985 50 0 DDAARO C[NH+]1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000071297200 406837623 /nfs/dbraw/zinc/83/76/23/406837623.db2.gz KLCXZCRYVVQPBS-UHFFFAOYSA-N 1 0 316.327 1.676 50 0 DDAARO Cc1nc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cs1 ZINC000071834680 406849332 /nfs/dbraw/zinc/84/93/32/406849332.db2.gz PKMCQZLRYZSCDM-NSHDSACASA-N 1 0 309.435 1.777 50 0 DDAARO Cc1nn(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1Cl ZINC000071839727 406851444 /nfs/dbraw/zinc/85/14/44/406851444.db2.gz FPTXTAQERPEVKU-CYBMUJFWSA-N 1 0 310.829 1.850 50 0 DDAARO CCC(CO)(CO)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000014230145 406873962 /nfs/dbraw/zinc/87/39/62/406873962.db2.gz GTVDKTALJWWNHC-AWEZNQCLSA-N 1 0 311.422 1.273 50 0 DDAARO Cc1noc(C)c1[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269543 406877799 /nfs/dbraw/zinc/87/77/99/406877799.db2.gz DOWDFWFSNSXGCK-CQDKDKBSSA-N 1 0 321.421 1.453 50 0 DDAARO CC(C)[NH+]1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000027421542 406909810 /nfs/dbraw/zinc/90/98/10/406909810.db2.gz QSDYDTCUGPTYSS-UHFFFAOYSA-N 1 0 308.426 1.937 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C/c1ccccc1 ZINC000072304237 406880524 /nfs/dbraw/zinc/88/05/24/406880524.db2.gz GKCPWLCZHXSSAJ-NFGWICIOSA-N 1 0 315.417 1.415 50 0 DDAARO Cc1n[nH]cc1C[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300611 406880672 /nfs/dbraw/zinc/88/06/72/406880672.db2.gz BDBLHOPMCOTIET-FZMZJTMJSA-N 1 0 314.455 1.256 50 0 DDAARO Cc1nn(C)c2nc(C)nc(NC[C@@H]3CCC[N@H+](CCO)C3)c12 ZINC000072435218 406882918 /nfs/dbraw/zinc/88/29/18/406882918.db2.gz QQNZLWVWIBYSDM-ZDUSSCGKSA-N 1 0 318.425 1.096 50 0 DDAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc[nH]c3=O)cn2)CC1 ZINC000022324566 406890727 /nfs/dbraw/zinc/89/07/27/406890727.db2.gz DUPUHNLIAVBAHH-UHFFFAOYSA-N 1 0 313.361 1.186 50 0 DDAARO O[C@H](COCc1ccco1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000025514131 406898100 /nfs/dbraw/zinc/89/81/00/406898100.db2.gz QEKKCGAUPPNWGZ-KRWDZBQOSA-N 1 0 316.401 1.979 50 0 DDAARO CCCNC(=O)c1coc(CN2CC[NH+](CCC(C)C)CC2)n1 ZINC000034678133 406964247 /nfs/dbraw/zinc/96/42/47/406964247.db2.gz SWYAOOMGAKCDBF-UHFFFAOYSA-N 1 0 322.453 1.978 50 0 DDAARO C[C@H]([NH2+]CCn1cccn1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000075133243 406923362 /nfs/dbraw/zinc/92/33/62/406923362.db2.gz XJGILEPZVROFSI-ZFWWWQNUSA-N 1 0 314.389 1.501 50 0 DDAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)NCCc2cccs2)c1 ZINC000075131765 406923482 /nfs/dbraw/zinc/92/34/82/406923482.db2.gz NWLJSZRLOUCLAD-ZDUSSCGKSA-N 1 0 306.435 1.590 50 0 DDAARO c1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc3nnnn3n2)cc1 ZINC000029526882 406924726 /nfs/dbraw/zinc/92/47/26/406924726.db2.gz ZFTIRLIIARRBLJ-CQSZACIVSA-N 1 0 309.377 1.768 50 0 DDAARO C[NH+](C)CCOc1ccccc1C(=O)NCC1=COCCO1 ZINC000075148570 406924810 /nfs/dbraw/zinc/92/48/10/406924810.db2.gz UOJFDGUNWUGGQA-UHFFFAOYSA-N 1 0 306.362 1.245 50 0 DDAARO C[NH+](C)CCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041548529 407009042 /nfs/dbraw/zinc/00/90/42/407009042.db2.gz VYMBZZJXBMFZRZ-AWEZNQCLSA-N 1 0 311.769 1.107 50 0 DDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H](O)C1 ZINC000043137121 407016516 /nfs/dbraw/zinc/01/65/16/407016516.db2.gz ZZYAFOQEFIEPMF-GJZGRUSLSA-N 1 0 321.421 1.973 50 0 DDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2n[nH]nc2c1 ZINC000044896845 407032065 /nfs/dbraw/zinc/03/20/65/407032065.db2.gz LHKCUDHPKBLCPE-OAHLLOKOSA-N 1 0 321.384 1.962 50 0 DDAARO CC[C@H](CN1C(=O)N[C@@H](C)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000044980683 407037137 /nfs/dbraw/zinc/03/71/37/407037137.db2.gz NQAWJRIAPDPNLO-SWLSCSKDSA-N 1 0 301.390 1.764 50 0 DDAARO c1c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2n1CCS2 ZINC000077406442 406990154 /nfs/dbraw/zinc/99/01/54/406990154.db2.gz ALQNJQUJXDLSPH-LBPRGKRZSA-N 1 0 309.435 1.807 50 0 DDAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CCO)CC3)c1 ZINC000077487867 406991938 /nfs/dbraw/zinc/99/19/38/406991938.db2.gz UQJNKGMNXCUQRN-UHFFFAOYSA-N 1 0 318.417 1.502 50 0 DDAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077471235 406992135 /nfs/dbraw/zinc/99/21/35/406992135.db2.gz TVJNSGLYWCXUMA-HNNXBMFYSA-N 1 0 303.414 1.513 50 0 DDAARO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1O)c1cccnc1 ZINC000077471988 406992308 /nfs/dbraw/zinc/99/23/08/406992308.db2.gz ZHIXUSFQEGDRPZ-HUUCEWRRSA-N 1 0 317.414 1.508 50 0 DDAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)n1 ZINC000077472238 406992602 /nfs/dbraw/zinc/99/26/02/406992602.db2.gz SKEKDCVQXZEXRQ-GJZGRUSLSA-N 1 0 316.380 1.919 50 0 DDAARO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCc2ccccc2C1 ZINC000084582003 407090503 /nfs/dbraw/zinc/09/05/03/407090503.db2.gz VWOLKGPFCWSOKG-UHFFFAOYSA-N 1 0 313.401 1.909 50 0 DDAARO CC1CCC(O)(C[N@H+](C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000089922569 407158697 /nfs/dbraw/zinc/15/86/97/407158697.db2.gz CLCHQIWUZYBQIS-FUUBYGMNSA-N 1 0 303.468 1.825 50 0 DDAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000089937451 407159351 /nfs/dbraw/zinc/15/93/51/407159351.db2.gz WIIBVFRGAVZJSI-LRDDRELGSA-N 1 0 313.401 1.875 50 0 DDAARO NC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000052941947 407160317 /nfs/dbraw/zinc/16/03/17/407160317.db2.gz DQEWRWYPWDQCPE-JTQLQIEISA-N 1 0 306.753 1.697 50 0 DDAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCN1C(=O)CCC1=O ZINC000089949287 407162670 /nfs/dbraw/zinc/16/26/70/407162670.db2.gz JPJUCNSFNZNJFY-HNNXBMFYSA-N 1 0 315.417 1.866 50 0 DDAARO Cc1cccc(NC(=O)C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])c1 ZINC000054114170 407177675 /nfs/dbraw/zinc/17/76/75/407177675.db2.gz QCUSWLXWXOKFIE-CQSZACIVSA-N 1 0 307.394 1.318 50 0 DDAARO NC(=O)c1cnc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000054057439 407178255 /nfs/dbraw/zinc/17/82/55/407178255.db2.gz FKXQPXPICUNQTJ-UHFFFAOYSA-N 1 0 308.813 1.899 50 0 DDAARO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc(=O)[nH]1 ZINC000095361910 407208907 /nfs/dbraw/zinc/20/89/07/407208907.db2.gz MKIINQZOQBAGCV-CYBMUJFWSA-N 1 0 318.421 1.349 50 0 DDAARO Cc1cnn(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000095954420 407216736 /nfs/dbraw/zinc/21/67/36/407216736.db2.gz VHFPNEMQVWEXJA-UHFFFAOYSA-N 1 0 300.406 1.782 50 0 DDAARO C[NH+](C)CCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000095993325 407221839 /nfs/dbraw/zinc/22/18/39/407221839.db2.gz UMULPXGEKJYOOV-HNNXBMFYSA-N 1 0 318.483 1.549 50 0 DDAARO c1ccc([C@@H](C[NH2+][C@H]2CN3CCC2CC3)N2CCOCC2)cc1 ZINC000096013556 407224165 /nfs/dbraw/zinc/22/41/65/407224165.db2.gz QDDHRSHRUMNLHN-RBUKOAKNSA-N 1 0 315.461 1.744 50 0 DDAARO CN(C)c1nc(N)cc(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC000096142125 407240508 /nfs/dbraw/zinc/24/05/08/407240508.db2.gz FTWIPRORNPNHGE-UHFFFAOYSA-N 1 0 318.469 1.683 50 0 DDAARO CCNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255914 407241118 /nfs/dbraw/zinc/24/11/18/407241118.db2.gz GJAJTDUTIKTDMK-MRXNPFEDSA-N 1 0 310.401 1.982 50 0 DDAARO Cc1cc2ncc(C[NH2+]Cc3ccc(-n4cncn4)nc3)cn2n1 ZINC000065492297 407244208 /nfs/dbraw/zinc/24/42/08/407244208.db2.gz SPFLKBIHXHJCSU-UHFFFAOYSA-N 1 0 320.360 1.303 50 0 DDAARO CCOc1ncccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066178051 407247813 /nfs/dbraw/zinc/24/78/13/407247813.db2.gz MFRMDAVNMREEMR-HNNXBMFYSA-N 1 0 318.421 1.860 50 0 DDAARO COc1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000101801876 407316000 /nfs/dbraw/zinc/31/60/00/407316000.db2.gz ODDSEUDIXWXASN-XYYAHUGASA-N 1 0 310.419 1.123 50 0 DDAARO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2 ZINC000096447055 407267521 /nfs/dbraw/zinc/26/75/21/407267521.db2.gz RPNGTQHFGCADPH-SOUVJXGZSA-N 1 0 312.454 1.494 50 0 DDAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2)c1 ZINC000096449352 407268494 /nfs/dbraw/zinc/26/84/94/407268494.db2.gz ZFLQWUWHEBRYNO-AWEZNQCLSA-N 1 0 316.405 1.806 50 0 DDAARO c1cncc(-c2nc3c(c(NC[C@@H]4CCCO4)n2)CC[NH2+]C3)c1 ZINC000067588372 407276443 /nfs/dbraw/zinc/27/64/43/407276443.db2.gz 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ZINC000067855387 407287050 /nfs/dbraw/zinc/28/70/50/407287050.db2.gz HSZRIHAMUVFZRB-CQSZACIVSA-N 1 0 305.422 1.699 50 0 DDAARO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc2ncccc21 ZINC000097229347 407288504 /nfs/dbraw/zinc/28/85/04/407288504.db2.gz WLONVCNBOZGTTQ-LBPRGKRZSA-N 1 0 307.419 1.887 50 0 DDAARO CN1C(=O)NC2(CC[NH+](CCCc3cccc(F)c3)CC2)C1=O ZINC000097233700 407289757 /nfs/dbraw/zinc/28/97/57/407289757.db2.gz UJJBURBLQCSILB-UHFFFAOYSA-N 1 0 319.380 1.775 50 0 DDAARO Cc1cccn2c(F)c(C(=O)N3C[C@@H]4CCC[NH2+][C@@H]4C3)nc12 ZINC000097259169 407290319 /nfs/dbraw/zinc/29/03/19/407290319.db2.gz IRANOMZCANPKII-NWDGAFQWSA-N 1 0 302.353 1.606 50 0 DDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C\c3ccncc3)CC2)CCO1 ZINC000097312403 407290849 /nfs/dbraw/zinc/29/08/49/407290849.db2.gz KUIWKXMRVSHKHH-MPNWYJEXSA-N 1 0 315.417 1.807 50 0 DDAARO Cc1noc(C)c1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000067967208 407291956 /nfs/dbraw/zinc/29/19/56/407291956.db2.gz UEIZFQOAEVZKOC-HNNXBMFYSA-N 1 0 312.373 1.959 50 0 DDAARO CCCOc1ccccc1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000097360211 407292182 /nfs/dbraw/zinc/29/21/82/407292182.db2.gz KAJKIALTAHORIA-HNNXBMFYSA-N 1 0 306.406 1.513 50 0 DDAARO C[NH+]1CCN(CCCNc2nccc(-c3ccccn3)n2)CC1 ZINC000097546511 407299236 /nfs/dbraw/zinc/29/92/36/407299236.db2.gz LCAKODPAHQHAEY-UHFFFAOYSA-N 1 0 312.421 1.588 50 0 DDAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ncc[nH]c3=O)CC2)o1 ZINC000097681868 407301471 /nfs/dbraw/zinc/30/14/71/407301471.db2.gz PFFJHIPEGAEKIT-ZDUSSCGKSA-N 1 0 316.405 1.987 50 0 DDAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000106921629 407367050 /nfs/dbraw/zinc/36/70/50/407367050.db2.gz NDNSQNFBZZBHCM-QLFBSQMISA-N 1 0 311.470 1.190 50 0 DDAARO C[C@H](CCn1cncn1)[NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000195548909 407463941 /nfs/dbraw/zinc/46/39/41/407463941.db2.gz ILRLQKCBLGXCQD-IIAWOOMASA-N 1 0 313.405 1.840 50 0 DDAARO [NH3+]C[C@H]1CCN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000178521562 407482538 /nfs/dbraw/zinc/48/25/38/407482538.db2.gz 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CCN(C[C@H]1CCCO1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000153142757 407763517 /nfs/dbraw/zinc/76/35/17/407763517.db2.gz HMYKWRNJLWLBHK-CQSZACIVSA-N 1 0 321.425 1.152 50 0 DDAARO CC(C)[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1nc(C2CC2)no1 ZINC000262290667 407785717 /nfs/dbraw/zinc/78/57/17/407785717.db2.gz YLEDLNWHPNGVGI-YPMHNXCESA-N 1 0 308.382 1.139 50 0 DDAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237164852 407799741 /nfs/dbraw/zinc/79/97/41/407799741.db2.gz NZFCKSNFHLMQEU-CQSZACIVSA-N 1 0 303.406 1.091 50 0 DDAARO C[C@H]1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000153829146 407910091 /nfs/dbraw/zinc/91/00/91/407910091.db2.gz KVCUTVPUXKTWAY-BPUTZDHNSA-N 1 0 317.433 1.514 50 0 DDAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cncc(C)c1 ZINC000133447072 407843785 /nfs/dbraw/zinc/84/37/85/407843785.db2.gz JNDOZPVDOGBJFC-CABCVRRESA-N 1 0 316.405 1.414 50 0 DDAARO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000241739156 407913664 /nfs/dbraw/zinc/91/36/64/407913664.db2.gz RAMBRUFYDKNFPQ-CQSZACIVSA-N 1 0 319.405 1.548 50 0 DDAARO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000153843860 407916209 /nfs/dbraw/zinc/91/62/09/407916209.db2.gz ILDUGNQBJGMAAV-GHMZBOCLSA-N 1 0 303.341 1.229 50 0 DDAARO CCCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153914369 407931097 /nfs/dbraw/zinc/93/10/97/407931097.db2.gz ZIWOJLWBZVOCAH-CHWSQXEVSA-N 1 0 324.446 1.693 50 0 DDAARO CC(=O)Nc1cccc(NC(=O)CCN2CC[C@H]([NH+](C)C)C2)c1 ZINC000244795333 407938705 /nfs/dbraw/zinc/93/87/05/407938705.db2.gz REFTWEKSFUWNCE-INIZCTEOSA-N 1 0 318.421 1.610 50 0 DDAARO O[C@H](C[N@@H+]1CCC[C@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000247753446 408508542 /nfs/dbraw/zinc/50/85/42/408508542.db2.gz BXJISZWIGUNXGJ-SWLSCSKDSA-N 1 0 308.332 1.754 50 0 DDAARO CSCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192213282 408559297 /nfs/dbraw/zinc/55/92/97/408559297.db2.gz ITMNVTFLDDMOAR-OAHLLOKOSA-N 1 0 308.447 1.757 50 0 DDAARO O=C(c1ccc[nH]1)N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 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RSOVRLNWHLSCLT-TZMCWYRMSA-N 1 0 304.394 1.010 50 0 DDAARO CCCn1nc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1=O ZINC000044940224 418432948 /nfs/dbraw/zinc/43/29/48/418432948.db2.gz ZZHFCHJFMGWLNW-KBPBESRZSA-N 1 0 320.437 1.361 50 0 DDAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000046087407 418444911 /nfs/dbraw/zinc/44/49/11/418444911.db2.gz OEYHCEMAKQYNFD-KRWDZBQOSA-N 1 0 323.868 1.919 50 0 DDAARO C[NH+](C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223001803 418562523 /nfs/dbraw/zinc/56/25/23/418562523.db2.gz VFZBVYRSNTUZKR-RWKZGTHUSA-N 1 0 313.401 1.725 50 0 DDAARO CC(C)(C(=O)N1CCCC2(CCOCC2)C1)N1CCOCC1 ZINC000374923674 418580064 /nfs/dbraw/zinc/58/00/64/418580064.db2.gz BEEYBSRNAUCHPH-UHFFFAOYSA-N 1 0 310.438 1.516 50 0 DDAARO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCOC[C@@H]1CCCO1 ZINC000252511445 222245552 /nfs/dbraw/zinc/24/55/52/222245552.db2.gz GWCDWYACFPDDLE-PMPSAXMXSA-N 1 0 310.438 1.657 50 0 DDAARO CCOC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000408521866 418807903 /nfs/dbraw/zinc/80/79/03/418807903.db2.gz VTVAIGCDRVUINT-HNNXBMFYSA-N 1 0 311.470 1.430 50 0 DDAARO CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408524671 418808930 /nfs/dbraw/zinc/80/89/30/418808930.db2.gz XJBZMMNMFCEQBH-HOCLYGCPSA-N 1 0 301.390 1.250 50 0 DDAARO CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCc2cccc(C)c2)C1 ZINC000408523117 418808998 /nfs/dbraw/zinc/80/89/98/418808998.db2.gz HBIIIULHBDRLSV-MRXNPFEDSA-N 1 0 303.406 1.069 50 0 DDAARO CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCc2nccn2C)C1 ZINC000426486048 419486463 /nfs/dbraw/zinc/48/64/63/419486463.db2.gz VEUJACKMTYQHTI-CQSZACIVSA-N 1 0 307.442 1.336 50 0 DDAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426528166 419499824 /nfs/dbraw/zinc/49/98/24/419499824.db2.gz ZIJVXJXPXGFQNH-ZDUSSCGKSA-N 1 0 319.453 1.914 50 0 DDAARO Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](C[NH3+])C3)c2)nn1 ZINC000299738385 229370612 /nfs/dbraw/zinc/37/06/12/229370612.db2.gz AAVAHMVPQMGAKU-ZDUSSCGKSA-N 1 0 311.389 1.949 50 0 DDAARO 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Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000004777050 181151265 /nfs/dbraw/zinc/15/12/65/181151265.db2.gz QYHUKAXHYRGMHA-GDBMZVCRSA-N 1 0 316.401 1.864 50 0 DDAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@H](C)CO)CC1 ZINC000584899419 354798539 /nfs/dbraw/zinc/79/85/39/354798539.db2.gz GQICLGBGIDANEZ-AWEZNQCLSA-N 1 0 320.437 1.630 50 0 DDAARO Cc1ccc(CN(CCCO)C(=O)N[C@H]2CC[N@@H+](C)C2)s1 ZINC000584898605 354798931 /nfs/dbraw/zinc/79/89/31/354798931.db2.gz NCKUNWDQNPIECZ-ZDUSSCGKSA-N 1 0 311.451 1.655 50 0 DDAARO Cc1ccccc1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000584892749 354794711 /nfs/dbraw/zinc/79/47/11/354794711.db2.gz MCMMYLKEJWGKFR-QGZVFWFLSA-N 1 0 304.434 1.891 50 0 DDAARO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237184565 202181178 /nfs/dbraw/zinc/18/11/78/202181178.db2.gz CTCJGTVQTORXIA-JSGCOSHPSA-N 1 0 321.396 1.610 50 0 DDAARO Cc1c(O)cccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179379979 199025584 /nfs/dbraw/zinc/02/55/84/199025584.db2.gz KKKOLBVAAQGXQB-UHFFFAOYSA-N 1 0 318.417 1.885 50 0 DDAARO CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000237554167 202281208 /nfs/dbraw/zinc/28/12/08/202281208.db2.gz JJTRXVHSRYAJRE-GXFFZTMASA-N 1 0 309.435 1.726 50 0 DDAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237553341 202281463 /nfs/dbraw/zinc/28/14/63/202281463.db2.gz CZVDENKNVFMOGX-SWLSCSKDSA-N 1 0 324.446 1.740 50 0 DDAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCSCC3)nc(N3CCCC3)n2)C1 ZINC000244584378 202485321 /nfs/dbraw/zinc/48/53/21/202485321.db2.gz CYFBZBGGZNLGPS-BETUJISGSA-N 1 0 319.478 1.835 50 0 DDAARO CC[C@H]([NH2+]Cc1ccnc(N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000193503729 201063953 /nfs/dbraw/zinc/06/39/53/201063953.db2.gz HYQXESOENNLFFR-AWEZNQCLSA-N 1 0 320.418 1.552 50 0 DDAARO CC[NH+](CC)CCNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000006638995 181363570 /nfs/dbraw/zinc/36/35/70/181363570.db2.gz QIYKVOFEHGWOSQ-UHFFFAOYSA-N 1 0 310.341 1.724 50 0 DDAARO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(O)c1 ZINC000091550427 193072409 /nfs/dbraw/zinc/07/24/09/193072409.db2.gz UZSXLTABUZAQQX-ZBFHGGJFSA-N 1 0 320.433 1.865 50 0 DDAARO Cc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(=O)[nH]1 ZINC000091605036 193078766 /nfs/dbraw/zinc/07/87/66/193078766.db2.gz GGQQPOWRMIFSFP-AWEZNQCLSA-N 1 0 321.421 1.175 50 0 DDAARO Cc1nnc(CCNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]1 ZINC000091616355 193079723 /nfs/dbraw/zinc/07/97/23/193079723.db2.gz YMDAFMOJOJLSIL-LSDHHAIUSA-N 1 0 319.453 1.817 50 0 DDAARO COc1ccc([C@@H]2CN(Cc3ncc[nH]3)C[C@H]2[NH+](C)C)cc1 ZINC000091625215 193080687 /nfs/dbraw/zinc/08/06/87/193080687.db2.gz NGSNFGMOZTVCJB-JKSUJKDBSA-N 1 0 300.406 1.948 50 0 DDAARO CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@](O)(C3CC3)C2)cc1 ZINC000091792690 193109530 /nfs/dbraw/zinc/10/95/30/193109530.db2.gz VJBSGCGMOONZTM-WBMJQRKESA-N 1 0 324.446 1.188 50 0 DDAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3O)cc1 ZINC000091950706 193130528 /nfs/dbraw/zinc/13/05/28/193130528.db2.gz IXJRQBQUTKZZBF-DDDUHNKNSA-N 1 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/nfs/dbraw/zinc/69/20/86/193692086.db2.gz XJJCOSZJNMIIAZ-PBFPGSCMSA-N 1 0 320.437 1.709 50 0 DDAARO COc1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCCC1)CO2 ZINC000015786250 182017189 /nfs/dbraw/zinc/01/71/89/182017189.db2.gz NBDRAJHUMWRNJS-HNNXBMFYSA-N 1 0 318.417 1.848 50 0 DDAARO COCCOC[C@H](O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000019210632 182107188 /nfs/dbraw/zinc/10/71/88/182107188.db2.gz LVNZMKRPSOCWKE-QGZVFWFLSA-N 1 0 308.422 1.141 50 0 DDAARO CCOc1ccc(CNCC[NH2+]CCO)cc1Br ZINC000020477674 182222649 /nfs/dbraw/zinc/22/26/49/182222649.db2.gz LZSZIDHOIGFUDH-UHFFFAOYSA-N 1 0 317.227 1.519 50 0 DDAARO COc1ccc(C2=NO[C@H](C(=O)NCCC[NH+](C)C)C2)cc1 ZINC000020617039 182239266 /nfs/dbraw/zinc/23/92/66/182239266.db2.gz XVCCLQNXXKYRGQ-HNNXBMFYSA-N 1 0 305.378 1.256 50 0 DDAARO COc1ccc(C2(C(=O)N3CCN(C)CC3)CCOCC2)cc1 ZINC000020649469 182240827 /nfs/dbraw/zinc/24/08/27/182240827.db2.gz ARPVQTFFSGHIPZ-UHFFFAOYSA-N 1 0 318.417 1.517 50 0 DDAARO [NH3+]CCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000020746154 182245905 /nfs/dbraw/zinc/24/59/05/182245905.db2.gz DKUSAFHTHMFOKJ-VIFPVBQESA-N 1 0 315.295 1.133 50 0 DDAARO O=C(NCC[NH+]1CCCCC1)Nc1cnc2ccccn2c1=O ZINC000020869263 182250839 /nfs/dbraw/zinc/25/08/39/182250839.db2.gz LZUSJWBQHJIQRY-UHFFFAOYSA-N 1 0 315.377 1.302 50 0 DDAARO CCCOc1c(Cl)cc(CNCC[NH2+]CCO)cc1OC ZINC000020968076 182257330 /nfs/dbraw/zinc/25/73/30/182257330.db2.gz BRHLUJTVEKZVEJ-UHFFFAOYSA-N 1 0 316.829 1.809 50 0 DDAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000022999022 182344362 /nfs/dbraw/zinc/34/43/62/182344362.db2.gz AGBZTYZZEYUPGG-UHFFFAOYSA-N 1 0 321.446 1.805 50 0 DDAARO [NH3+]Cc1cc(NC[C@]2(c3ccc(F)cc3)CCOC2)ncn1 ZINC000039436959 183018566 /nfs/dbraw/zinc/01/85/66/183018566.db2.gz RDAMKGLNZMLXIB-MRXNPFEDSA-N 1 0 302.353 1.845 50 0 DDAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000040636716 183113226 /nfs/dbraw/zinc/11/32/26/183113226.db2.gz OSZMULOCRBVYNU-IONNQARKSA-N 1 0 319.224 1.504 50 0 DDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C(N)=O)c1cccs1 ZINC000043095370 183337396 /nfs/dbraw/zinc/33/73/96/183337396.db2.gz LYTBDMPPPFTFAX-QWRGUYRKSA-N 1 0 310.423 1.010 50 0 DDAARO CC[NH+](CC)CCn1cc(Nc2ncnc3c2cnn3C)cn1 ZINC000054389223 183938043 /nfs/dbraw/zinc/93/80/43/183938043.db2.gz OBNCBHWLDMAGQW-UHFFFAOYSA-N 1 0 314.397 1.645 50 0 DDAARO CN1C(=O)C(=O)N(C[NH2+][C@@H](c2cccs2)C(C)(C)C)C1=O ZINC000057091222 184026900 /nfs/dbraw/zinc/02/69/00/184026900.db2.gz PIJWLVGSENEOLX-JTQLQIEISA-N 1 0 309.391 1.803 50 0 DDAARO Cc1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)[NH+](C)C)cc1 ZINC000058161169 184082842 /nfs/dbraw/zinc/08/28/42/184082842.db2.gz FBGLPGCWZRXTJE-OAHLLOKOSA-N 1 0 314.389 1.121 50 0 DDAARO CCC[NH+]1CCC(NC(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 ZINC000058367331 184109466 /nfs/dbraw/zinc/10/94/66/184109466.db2.gz PYOIESLGAKHITE-INIZCTEOSA-N 1 0 309.454 1.672 50 0 DDAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ncccn2)CC1 ZINC000058367254 184109517 /nfs/dbraw/zinc/10/95/17/184109517.db2.gz KCSNJZBZZZRCRH-LBPRGKRZSA-N 1 0 308.451 1.948 50 0 DDAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000058276804 184098548 /nfs/dbraw/zinc/09/85/48/184098548.db2.gz HILPDAGEAVQZSU-CYBMUJFWSA-N 1 0 304.390 1.920 50 0 DDAARO CC[NH+]1CCC(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC000058412169 184115031 /nfs/dbraw/zinc/11/50/31/184115031.db2.gz KDYOADUBSFWJPT-UHFFFAOYSA-N 1 0 303.450 1.967 50 0 DDAARO Cc1cc(CNC(=O)c2ccccc2OCC[NH+](C)C)no1 ZINC000063104086 184271349 /nfs/dbraw/zinc/27/13/49/184271349.db2.gz GMMALBQTNRWSEV-UHFFFAOYSA-N 1 0 303.362 1.853 50 0 DDAARO C[C@@H]1CN(CC(=O)N2CCC3(CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000065384087 184332643 /nfs/dbraw/zinc/33/26/43/184332643.db2.gz LNKBAWXSFBUDPR-GASCZTMLSA-N 1 0 309.454 1.040 50 0 DDAARO COc1c(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c(C)nn1C ZINC000065575964 184367719 /nfs/dbraw/zinc/36/77/19/184367719.db2.gz IYOVDBOAEVPGBK-CQSZACIVSA-N 1 0 311.332 1.839 50 0 DDAARO Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000069534862 184524131 /nfs/dbraw/zinc/52/41/31/184524131.db2.gz CDKRGSGRGFZEOB-AWEZNQCLSA-N 1 0 313.405 1.253 50 0 DDAARO O=C(NCC[NH+]1CCCC1)Nc1cccnc1N1CCCC1 ZINC000069517401 184521899 /nfs/dbraw/zinc/52/18/99/184521899.db2.gz IHCZMYZNJZTZLW-UHFFFAOYSA-N 1 0 303.410 1.899 50 0 DDAARO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119016734 194955825 /nfs/dbraw/zinc/95/58/25/194955825.db2.gz FFWCEXXBWZHEOQ-HOTGVXAUSA-N 1 0 315.417 1.929 50 0 DDAARO CC(C)(CC(N)=O)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000096014185 256552561 /nfs/dbraw/zinc/55/25/61/256552561.db2.gz GRPAQUHMDTVXKW-MRXNPFEDSA-N 1 0 303.406 1.498 50 0 DDAARO CCO[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C12CCCCC2 ZINC000375702402 257235157 /nfs/dbraw/zinc/23/51/57/257235157.db2.gz SNRKYSNUARYAMA-ZIAGYGMSSA-N 1 0 323.437 1.646 50 0 DDAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000350517109 257236518 /nfs/dbraw/zinc/23/65/18/257236518.db2.gz WXDSHNGIYDUKEA-LLVKDONJSA-N 1 0 317.380 1.043 50 0 DDAARO C[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000237504650 257238357 /nfs/dbraw/zinc/23/83/57/257238357.db2.gz RTXKMUHBGNKLCB-SMDDNHRTSA-N 1 0 300.399 1.715 50 0 DDAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000237528048 257238708 /nfs/dbraw/zinc/23/87/08/257238708.db2.gz CRANBTFAODIDSS-RYUDHWBXSA-N 1 0 302.353 1.963 50 0 DDAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)OC)c1=N ZINC000000274214 406637185 /nfs/dbraw/zinc/63/71/85/406637185.db2.gz RPQDYFHQCKXMFR-UHFFFAOYSA-N 1 0 304.394 1.437 50 0 DDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000002854009 406703861 /nfs/dbraw/zinc/70/38/61/406703861.db2.gz XVBCNGROWIXNJF-ZFWWWQNUSA-N 1 0 303.406 1.464 50 0 DDAARO CN(C)c1ncccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069535612 406731882 /nfs/dbraw/zinc/73/18/82/406731882.db2.gz GSSKUQWHGAZJFJ-GJZGRUSLSA-N 1 0 302.422 1.846 50 0 DDAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069707473 406760675 /nfs/dbraw/zinc/76/06/75/406760675.db2.gz PLYMVXSSWKJBFT-GXTWGEPZSA-N 1 0 311.389 1.160 50 0 DDAARO CCOc1ccc(C(=O)NCC[N@H+](C)CCOC)cc1OCC ZINC000069414904 406706310 /nfs/dbraw/zinc/70/63/10/406706310.db2.gz MCONMLGKINBHDA-UHFFFAOYSA-N 1 0 324.421 1.792 50 0 DDAARO CCN1CCN(C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000069493447 406722052 /nfs/dbraw/zinc/72/20/52/406722052.db2.gz RNIACCPPIVWYMO-UHFFFAOYSA-N 1 0 302.422 1.846 50 0 DDAARO CCN(CC)c1ncc(C[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000069521050 406728560 /nfs/dbraw/zinc/72/85/60/406728560.db2.gz NFODVDPRTLYNKK-LLVKDONJSA-N 1 0 306.439 1.685 50 0 DDAARO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000069842338 406777719 /nfs/dbraw/zinc/77/77/19/406777719.db2.gz KJKZFHYQEISTRK-ONGXEEELSA-N 1 0 320.784 1.258 50 0 DDAARO CCc1ccccc1NC(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000069897676 406789023 /nfs/dbraw/zinc/78/90/23/406789023.db2.gz RFZUHFOAVOHDFM-UHFFFAOYSA-N 1 0 319.449 1.576 50 0 DDAARO C[C@@H](NC(=O)CCN1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000069899251 406789416 /nfs/dbraw/zinc/78/94/16/406789416.db2.gz NDCFXXIUOROBLL-JKSUJKDBSA-N 1 0 319.449 1.252 50 0 DDAARO Cn1cc(C[NH2+][C@@H]2CCCCc3ccccc32)c(=O)n(C)c1=O ZINC000069948707 406792626 /nfs/dbraw/zinc/79/26/26/406792626.db2.gz VAAGWGFUQCANPF-MRXNPFEDSA-N 1 0 313.401 1.641 50 0 DDAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000069974226 406799580 /nfs/dbraw/zinc/79/95/80/406799580.db2.gz PNYIQQRMYXDSAF-NSHDSACASA-N 1 0 307.785 1.857 50 0 DDAARO C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070887601 406825818 /nfs/dbraw/zinc/82/58/18/406825818.db2.gz ZAXQFDRQXWRIAI-GDBMZVCRSA-N 1 0 310.438 1.657 50 0 DDAARO NC(=O)NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000011343260 406826562 /nfs/dbraw/zinc/82/65/62/406826562.db2.gz GXWVMFPPAWBRSJ-UHFFFAOYSA-N 1 0 303.362 1.166 50 0 DDAARO CC[N@H+](C)C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000011934505 406833015 /nfs/dbraw/zinc/83/30/15/406833015.db2.gz ANSDTYKJSWXXGY-QGZVFWFLSA-N 1 0 306.406 1.500 50 0 DDAARO COCC[NH+]1CCC(c2nccn2Cc2cnc(C)cn2)CC1 ZINC000071416155 406838697 /nfs/dbraw/zinc/83/86/97/406838697.db2.gz NRCOXHXCFRUPRD-UHFFFAOYSA-N 1 0 315.421 1.856 50 0 DDAARO COCC[N@@H+]1CCN(C[C@@H](O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000071864789 406854783 /nfs/dbraw/zinc/85/47/83/406854783.db2.gz IOHGWMXSPWPXCR-SJLPKXTDSA-N 1 0 306.450 1.989 50 0 DDAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000071875328 406857962 /nfs/dbraw/zinc/85/79/62/406857962.db2.gz TXOCBGRYALGNBF-AWEZNQCLSA-N 1 0 314.455 1.019 50 0 DDAARO CCC(CC)(CO)[NH2+]Cc1nnnn1-c1cc(C)ccc1F ZINC000071912106 406866515 /nfs/dbraw/zinc/86/65/15/406866515.db2.gz QIWAUELMZGDWLB-UHFFFAOYSA-N 1 0 307.373 1.751 50 0 DDAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)c1 ZINC000072253172 406875056 /nfs/dbraw/zinc/87/50/56/406875056.db2.gz IRKIVTDNFUQKOE-OAHLLOKOSA-N 1 0 312.417 1.755 50 0 DDAARO CCOC(=O)NCC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000072268136 406876323 /nfs/dbraw/zinc/87/63/23/406876323.db2.gz DITYFYSYGMJRSQ-UHFFFAOYSA-N 1 0 310.350 1.302 50 0 DDAARO O=C(CCCc1ccccn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269916 406877261 /nfs/dbraw/zinc/87/72/61/406877261.db2.gz YRLMYZCLKYHLIV-DLBZAZTESA-N 1 0 317.433 1.462 50 0 DDAARO C[C@H]([C@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2)n1cccn1 ZINC000072269713 406877427 /nfs/dbraw/zinc/87/74/27/406877427.db2.gz IWOSYNMSKRSJSF-SCRDCRAPSA-N 1 0 303.362 1.885 50 0 DDAARO Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC000072294947 406879420 /nfs/dbraw/zinc/87/94/20/406879420.db2.gz MOKORJBOJOLPNE-MRXNPFEDSA-N 1 0 312.417 1.998 50 0 DDAARO CC(C)Cn1cnc(S(=O)(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000072307560 406880096 /nfs/dbraw/zinc/88/00/96/406880096.db2.gz ZOFLFYZDMRSLTR-UHFFFAOYSA-N 1 0 302.444 1.206 50 0 DDAARO Brc1ccc(C[NH2+]C23CN4CN(CN(C4)C2)C3)cc1 ZINC000019318782 406885607 /nfs/dbraw/zinc/88/56/07/406885607.db2.gz NYHVBRGYIMFSON-UHFFFAOYSA-N 1 0 323.238 1.097 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2cccnc2)no1 ZINC000012322230 406841122 /nfs/dbraw/zinc/84/11/22/406841122.db2.gz JEWNOBKEBJIEQS-GFCCVEGCSA-N 1 0 301.350 1.346 50 0 DDAARO Cc1cnc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000012464529 406845181 /nfs/dbraw/zinc/84/51/81/406845181.db2.gz KQLUQABBZUQPNI-AWEZNQCLSA-N 1 0 317.437 1.073 50 0 DDAARO Cc1ccc(N2C[C@H](C(=O)NCC[NH+](C)C)CC2=O)cc1Cl ZINC000034915994 406965325 /nfs/dbraw/zinc/96/53/25/406965325.db2.gz HFFUBIMTERODRT-GFCCVEGCSA-N 1 0 323.824 1.679 50 0 DDAARO CNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000029163219 406921946 /nfs/dbraw/zinc/92/19/46/406921946.db2.gz INDRRJVKEFFEPD-CYBMUJFWSA-N 1 0 315.417 1.422 50 0 DDAARO Cc1noc(CCCC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000075130745 406923962 /nfs/dbraw/zinc/92/39/62/406923962.db2.gz NHGBMOFJYKVZLE-KBPBESRZSA-N 1 0 306.410 1.786 50 0 DDAARO CN1CCN(C2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000075604085 406937423 /nfs/dbraw/zinc/93/74/23/406937423.db2.gz WOVUWNRMHDUMHT-INIZCTEOSA-N 1 0 303.406 1.552 50 0 DDAARO CC(C)n1nc2c(cc1=O)C[N@@H+](CCCN1CCCC1=O)CC2 ZINC000076064998 406952859 /nfs/dbraw/zinc/95/28/59/406952859.db2.gz JENVWQXXAHKIEK-UHFFFAOYSA-N 1 0 318.421 1.195 50 0 DDAARO C[C@H](C(=O)NC1CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000032860390 406954467 /nfs/dbraw/zinc/95/44/67/406954467.db2.gz WFDHFXMINUZYOU-CYBMUJFWSA-N 1 0 315.417 1.548 50 0 DDAARO C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)n1cncn1 ZINC000045882086 407050531 /nfs/dbraw/zinc/05/05/31/407050531.db2.gz YTSDJFULIVZGLA-RISCZKNCSA-N 1 0 305.357 1.397 50 0 DDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000044908422 407033244 /nfs/dbraw/zinc/03/32/44/407033244.db2.gz XDVDIJCEFCGCIX-ZDUSSCGKSA-N 1 0 306.410 1.374 50 0 DDAARO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ncn(C)c1Cl ZINC000044937471 407034224 /nfs/dbraw/zinc/03/42/24/407034224.db2.gz SSRYZJUPKWCQMP-JTQLQIEISA-N 1 0 320.846 1.226 50 0 DDAARO COc1cccc([C@H](CNC(=O)[C@H](C)n2cncn2)[NH+](C)C)c1 ZINC000045195577 407041374 /nfs/dbraw/zinc/04/13/74/407041374.db2.gz ABPLELGAKZMLLH-WFASDCNBSA-N 1 0 317.393 1.267 50 0 DDAARO C[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1[NH+](C)C ZINC000078897137 407047879 /nfs/dbraw/zinc/04/78/79/407047879.db2.gz BYCVEAHMPWZUIT-ZFWWWQNUSA-N 1 0 317.437 1.102 50 0 DDAARO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037799177 406994328 /nfs/dbraw/zinc/99/43/28/406994328.db2.gz KPLWXCKVYWMOIU-CABZTGNLSA-N 1 0 303.189 1.675 50 0 DDAARO CN(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077535366 406995553 /nfs/dbraw/zinc/99/55/53/406995553.db2.gz PXUXFDVACMMBSH-GOSISDBHSA-N 1 0 318.465 1.570 50 0 DDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000040528259 407003976 /nfs/dbraw/zinc/00/39/76/407003976.db2.gz GGYWRMYVQOEOCG-CQSZACIVSA-N 1 0 321.446 1.609 50 0 DDAARO COc1cc(OC)cc(C(=O)N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC000085469848 407102912 /nfs/dbraw/zinc/10/29/12/407102912.db2.gz LNHYCQWIGBWTCC-ZDUSSCGKSA-N 1 0 308.378 1.106 50 0 DDAARO CC(C)[C@@H](C(=O)NC[C@@]1(O)CCSC1)[NH+]1CCCCC1 ZINC000082967237 407081223 /nfs/dbraw/zinc/08/12/23/407081223.db2.gz SUXNMHXYVGDVQT-ZFWWWQNUSA-N 1 0 300.468 1.481 50 0 DDAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000050242202 407129533 /nfs/dbraw/zinc/12/95/33/407129533.db2.gz GLKYHZNZYAKUJF-QMMMGPOBSA-N 1 0 310.297 1.307 50 0 DDAARO COc1ccc(C(C)=O)cc1CC(=O)NCC[NH2+]C(C)(C)C ZINC000089291997 407129651 /nfs/dbraw/zinc/12/96/51/407129651.db2.gz URXYHJZFXKNGLB-UHFFFAOYSA-N 1 0 306.406 1.945 50 0 DDAARO C[NH+](C)C1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000089314082 407130834 /nfs/dbraw/zinc/13/08/34/407130834.db2.gz LXIHSMZCQFLMRL-UHFFFAOYSA-N 1 0 323.412 1.347 50 0 DDAARO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179891 407137704 /nfs/dbraw/zinc/13/77/04/407137704.db2.gz WEGIZTOWBODOHK-HUUCEWRRSA-N 1 0 303.406 1.735 50 0 DDAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCc3ccncc3)C2)no1 ZINC000089718350 407145612 /nfs/dbraw/zinc/14/56/12/407145612.db2.gz IGWAROORDBMRBT-MRXNPFEDSA-N 1 0 315.421 1.912 50 0 DDAARO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)C2=O)cn1 ZINC000089755852 407147147 /nfs/dbraw/zinc/14/71/47/407147147.db2.gz BAQNKUUHKYQDFY-LVQVYYBASA-N 1 0 318.421 1.463 50 0 DDAARO NC(=O)C1([NH2+]CC(=O)N2CCC[C@@H]2c2cccs2)CCCC1 ZINC000089799968 407149825 /nfs/dbraw/zinc/14/98/25/407149825.db2.gz DPVCZIBGBLRHFX-GFCCVEGCSA-N 1 0 321.446 1.799 50 0 DDAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000053050030 407161814 /nfs/dbraw/zinc/16/18/14/407161814.db2.gz IBIBAFMNQLTHDA-SNVBAGLBSA-N 1 0 318.343 1.901 50 0 DDAARO O=C(NCc1nnc2ccccn21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000096404178 407259910 /nfs/dbraw/zinc/25/99/10/407259910.db2.gz MENOJMRURDDVTB-ZDUSSCGKSA-N 1 0 314.393 1.109 50 0 DDAARO O=C(C1CC[NH2+]CC1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055226630 407198181 /nfs/dbraw/zinc/19/81/81/407198181.db2.gz AVEGLMDHXZRSDD-MRXNPFEDSA-N 1 0 303.406 1.589 50 0 DDAARO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)NC2CC2)C[C@H](C)O1 ZINC000055870084 407208097 /nfs/dbraw/zinc/20/80/97/407208097.db2.gz BWVUAKXXZFTKRS-KBPBESRZSA-N 1 0 317.433 1.986 50 0 DDAARO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000095376966 407210994 /nfs/dbraw/zinc/21/09/94/407210994.db2.gz QICRFVJBUGVMLO-ZDUSSCGKSA-N 1 0 302.378 1.840 50 0 DDAARO CC[NH+]1CCC(CC(=O)NCc2ccc(C(=O)N(C)C)o2)CC1 ZINC000095374477 407211155 /nfs/dbraw/zinc/21/11/55/407211155.db2.gz DDTIPPGPTUJESI-UHFFFAOYSA-N 1 0 321.421 1.720 50 0 DDAARO CNC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000095439080 407213984 /nfs/dbraw/zinc/21/39/84/407213984.db2.gz MLKXSOIZIJMZDZ-CQSZACIVSA-N 1 0 306.406 1.518 50 0 DDAARO C[C@H](C1CC1)[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)n1 ZINC000095951850 407215931 /nfs/dbraw/zinc/21/59/31/407215931.db2.gz KFPUTKLCPIOEFU-CYBMUJFWSA-N 1 0 313.405 1.614 50 0 DDAARO CCc1nc(CN(C)[C@H]2CC[N@H+](CCn3cccn3)C2)no1 ZINC000095961634 407217761 /nfs/dbraw/zinc/21/77/61/407217761.db2.gz SBMWQDJOFQENKM-ZDUSSCGKSA-N 1 0 304.398 1.035 50 0 DDAARO COC(=O)N1CCC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000095967610 407218666 /nfs/dbraw/zinc/21/86/66/407218666.db2.gz LHJZOKRLZGZPEL-LBPRGKRZSA-N 1 0 305.369 1.536 50 0 DDAARO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC000095966821 407218900 /nfs/dbraw/zinc/21/89/00/407218900.db2.gz VJPZXTRNUQAFSF-KGLIPLIRSA-N 1 0 310.438 1.249 50 0 DDAARO CC(C)[C@@H](CNC(=O)c1cn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000058216898 407219268 /nfs/dbraw/zinc/21/92/68/407219268.db2.gz JZCXPOPOEGRZNY-MRXNPFEDSA-N 1 0 313.405 1.617 50 0 DDAARO COCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000058331038 407220554 /nfs/dbraw/zinc/22/05/54/407220554.db2.gz USECBUBSLIQHIR-UHFFFAOYSA-N 1 0 305.422 1.593 50 0 DDAARO O[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000095983997 407220737 /nfs/dbraw/zinc/22/07/37/407220737.db2.gz YOHKGVURIRSALW-IAGOWNOFSA-N 1 0 314.433 1.984 50 0 DDAARO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000095987891 407220987 /nfs/dbraw/zinc/22/09/87/407220987.db2.gz JIVDOSXSPLCHHY-MJBXVCDLSA-N 1 0 318.483 1.451 50 0 DDAARO CC[NH+](CC)CC(=O)N1CCN(CCCc2ccncc2)CC1 ZINC000096012947 407223585 /nfs/dbraw/zinc/22/35/85/407223585.db2.gz SFQGXLYKRQHKIW-UHFFFAOYSA-N 1 0 318.465 1.500 50 0 DDAARO CS(=O)(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000096035645 407224723 /nfs/dbraw/zinc/22/47/23/407224723.db2.gz KIXHFXMIMRUNKY-YVMONPNESA-N 1 0 308.447 1.961 50 0 DDAARO O=C(COc1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650304 407229418 /nfs/dbraw/zinc/22/94/18/407229418.db2.gz IQYPQWLEKPDZFL-DZGCQCFKSA-N 1 0 324.808 1.698 50 0 DDAARO CCC[NH+]1CCC(Cc2nc(CN3CCOCC3)no2)CC1 ZINC000096132911 407239617 /nfs/dbraw/zinc/23/96/17/407239617.db2.gz FOLMJYIIHBIHEC-UHFFFAOYSA-N 1 0 308.426 1.566 50 0 DDAARO COCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000096130784 407239694 /nfs/dbraw/zinc/23/96/94/407239694.db2.gz BTUYIZHKLLSUJE-UHFFFAOYSA-N 1 0 301.346 1.783 50 0 DDAARO COCC[N@@H+]1CC[C@@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000096139262 407240107 /nfs/dbraw/zinc/24/01/07/407240107.db2.gz PKVZDKVKICWWMJ-AWEZNQCLSA-N 1 0 313.405 1.919 50 0 DDAARO O=C([C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1)N1CCCC1 ZINC000096421782 407263505 /nfs/dbraw/zinc/26/35/05/407263505.db2.gz AUTWKVBBEHNFJW-HOTGVXAUSA-N 1 0 310.438 1.516 50 0 DDAARO C[NH+](C)CCn1ccc(NC(=O)NCCc2cccc(F)c2)n1 ZINC000096424056 407264009 /nfs/dbraw/zinc/26/40/09/407264009.db2.gz PDOUXFWPTDXEDA-UHFFFAOYSA-N 1 0 319.384 1.948 50 0 DDAARO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000096427704 407265087 /nfs/dbraw/zinc/26/50/87/407265087.db2.gz RDUREEVPEABNRA-LBPRGKRZSA-N 1 0 312.410 1.897 50 0 DDAARO Cn1ccnc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000096441339 407266482 /nfs/dbraw/zinc/26/64/82/407266482.db2.gz ILZYMSJLGRDFDT-UHFFFAOYSA-N 1 0 319.453 1.100 50 0 DDAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCNS(C)(=O)=O)c1 ZINC000096441496 407266724 /nfs/dbraw/zinc/26/67/24/407266724.db2.gz WKYQUSDSOPEMJJ-HNNXBMFYSA-N 1 0 311.451 1.439 50 0 DDAARO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)NC(N)=O ZINC000067230886 407269548 /nfs/dbraw/zinc/26/95/48/407269548.db2.gz ZMQXCVLASYCDST-CYBMUJFWSA-N 1 0 305.378 1.424 50 0 DDAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000096461842 407269853 /nfs/dbraw/zinc/26/98/53/407269853.db2.gz ODIRBBNTIQUXAE-INIZCTEOSA-N 1 0 303.362 1.516 50 0 DDAARO CC(C)(C)[C@H]([NH2+][C@@H]1CCCOC1)c1nc(-c2nc[nH]n2)no1 ZINC000096494919 407273459 /nfs/dbraw/zinc/27/34/59/407273459.db2.gz HVFATUCFBRULQO-NXEZZACHSA-N 1 0 306.370 1.711 50 0 DDAARO Cn1c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2oc1=O ZINC000097052066 407277363 /nfs/dbraw/zinc/27/73/63/407277363.db2.gz JHVYTOPVLXLMLZ-UHFFFAOYSA-N 1 0 304.350 1.301 50 0 DDAARO C[C@H](C(N)=O)N1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000097084406 407279878 /nfs/dbraw/zinc/27/98/78/407279878.db2.gz KMZXYNVIGVNEBZ-UONOGXRCSA-N 1 0 307.413 1.638 50 0 DDAARO COc1ccc(C2(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CCCC2)cc1 ZINC000097088322 407279947 /nfs/dbraw/zinc/27/99/47/407279947.db2.gz VQLUSDBGBIJWCF-GDBMZVCRSA-N 1 0 318.417 1.346 50 0 DDAARO C[NH+]1CCC(N2CCN(c3ncccc3Cl)C[C@H](O)C2)CC1 ZINC000097099140 407280788 /nfs/dbraw/zinc/28/07/88/407280788.db2.gz 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COC[C@@H]1C[NH+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C(N)=O ZINC000257179172 407480284 /nfs/dbraw/zinc/48/02/84/407480284.db2.gz CKONUVJAWXPMOM-WCQYABFASA-N 1 0 316.323 1.885 50 0 DDAARO C[N@H+](Cc1ccc(OCC(N)=O)c(Cl)c1)C1CCOCC1 ZINC000215186671 407481486 /nfs/dbraw/zinc/48/14/86/407481486.db2.gz MVPANXJRKUPXJW-UHFFFAOYSA-N 1 0 312.797 1.815 50 0 DDAARO CC[N@@H+]1CCC[C@H](CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000215362405 407484838 /nfs/dbraw/zinc/48/48/38/407484838.db2.gz NKGZZUWAMZNKFL-HNNXBMFYSA-N 1 0 304.438 1.504 50 0 DDAARO C[NH+](C)[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@H]1CO ZINC000257189083 407486086 /nfs/dbraw/zinc/48/60/86/407486086.db2.gz HNWDZVWFLOYFHE-XHDPSFHLSA-N 1 0 321.808 1.816 50 0 DDAARO O=C([C@@H]1C[NH2+]CCO1)N(Cc1cccnc1)C1CCCCC1 ZINC000215628629 407488469 /nfs/dbraw/zinc/48/84/69/407488469.db2.gz FUODXARAZSEHRH-INIZCTEOSA-N 1 0 303.406 1.731 50 0 DDAARO Cc1nn(CCO)cc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000215751062 407490061 /nfs/dbraw/zinc/49/00/61/407490061.db2.gz 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CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000241588133 407909834 /nfs/dbraw/zinc/90/98/34/407909834.db2.gz OZXTVHULXZRBRS-XHSDSOJGSA-N 1 0 311.470 1.957 50 0 DDAARO CN(C)[C@H]1CC[N@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000244900214 407944913 /nfs/dbraw/zinc/94/49/13/407944913.db2.gz ZYDHSXNLFAWHRE-HNNXBMFYSA-N 1 0 309.841 1.982 50 0 DDAARO C[C@H](SCC[NH+](C)C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157770761 408314966 /nfs/dbraw/zinc/31/49/66/408314966.db2.gz YOFMUKLVGGBMGW-NSHDSACASA-N 1 0 307.419 1.655 50 0 DDAARO C[C@@H]1OCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000158949039 408374123 /nfs/dbraw/zinc/37/41/23/408374123.db2.gz KIKZHRACJSFHQR-ZOBUZTSGSA-N 1 0 319.449 1.515 50 0 DDAARO CC(C)Oc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000183130144 306709366 /nfs/dbraw/zinc/70/93/66/306709366.db2.gz IGLNNDDBBZZTNQ-CYBMUJFWSA-N 1 0 312.435 1.752 50 0 DDAARO O=C(NC1CC1)[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CO ZINC000253402131 408814528 /nfs/dbraw/zinc/81/45/28/408814528.db2.gz 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C[N@H+](CCCc1ccccc1)CC(=O)N[C@H]1CCCCNC1=O ZINC000046087463 418445452 /nfs/dbraw/zinc/44/54/52/418445452.db2.gz KLTCUQMWGJKCIF-INIZCTEOSA-N 1 0 317.433 1.336 50 0 DDAARO COc1cccc(COCC(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000046781393 418449352 /nfs/dbraw/zinc/44/93/52/418449352.db2.gz XPTVIYSDNYRAGK-CQSZACIVSA-N 1 0 306.406 1.812 50 0 DDAARO O=C(Cc1ccc2c(c1)OCCO2)NCCC[NH+]1CCCCC1 ZINC000046629469 418449393 /nfs/dbraw/zinc/44/93/93/418449393.db2.gz VTEXHPCUKUDMMM-UHFFFAOYSA-N 1 0 318.417 1.993 50 0 DDAARO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)nc1C ZINC000102001107 418494642 /nfs/dbraw/zinc/49/46/42/418494642.db2.gz DRGBGTRQYHESNX-ZDUSSCGKSA-N 1 0 302.378 1.412 50 0 DDAARO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000108141101 418499657 /nfs/dbraw/zinc/49/96/57/418499657.db2.gz OJIBDRNPHUYGMQ-DLBZAZTESA-N 1 0 311.385 1.447 50 0 DDAARO C[C@@H](C(=O)Nc1ncccn1)N1CCCC[C@H]1Cn1cccn1 ZINC000257365836 418568561 /nfs/dbraw/zinc/56/85/61/418568561.db2.gz UASLNIZSPWCWBQ-KBPBESRZSA-N 1 0 314.393 1.555 50 0 DDAARO COc1ccc([C@@H](O)C(=O)N2CC([NH+]3CCCCC3)C2)cc1 ZINC000219319528 418561006 /nfs/dbraw/zinc/56/10/06/418561006.db2.gz WTLUBMFTHDYEJY-MRXNPFEDSA-N 1 0 304.390 1.425 50 0 DDAARO OCC[C@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000408521871 418807601 /nfs/dbraw/zinc/80/76/01/418807601.db2.gz VYTXAWOBSSKNNO-MRXNPFEDSA-N 1 0 304.434 1.723 50 0 DDAARO [NH3+]Cc1nnc(SC[C@@H](O)C2CC2)n1Cc1ccccc1 ZINC000426445725 419474060 /nfs/dbraw/zinc/47/40/60/419474060.db2.gz ZFYKPDGXVJTSIP-CYBMUJFWSA-N 1 0 304.419 1.648 50 0 DDAARO CN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000426739026 419543326 /nfs/dbraw/zinc/54/33/26/419543326.db2.gz JJZPTFVWIGJZAA-KRWDZBQOSA-N 1 0 319.449 1.575 50 0 DDAARO C[C@@H](NC(=O)C[NH2+]C1CC1)c1cnn(-c2ccccc2F)c1 ZINC000426506674 228580312 /nfs/dbraw/zinc/58/03/12/228580312.db2.gz NIUNUURZZCZJRE-LLVKDONJSA-N 1 0 302.353 1.941 50 0 DDAARO C[C@H]1CN(C(=O)NCC[N@H+](C)CCc2ccccc2)CCCO1 ZINC000426596662 419512142 /nfs/dbraw/zinc/51/21/42/419512142.db2.gz VTVGCFIYDVNBMN-INIZCTEOSA-N 1 0 319.449 1.981 50 0 DDAARO O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299750318 229394332 /nfs/dbraw/zinc/39/43/32/229394332.db2.gz NAWDEHAPDPSDHZ-KOLCDFICSA-N 1 0 306.259 1.184 50 0 DDAARO C[NH2+]CC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 ZINC000573652844 421997665 /nfs/dbraw/zinc/99/76/65/421997665.db2.gz JJTSUNVNGOZEOE-UHFFFAOYSA-N 1 0 320.368 1.958 50 0 DDAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000575547957 422300490 /nfs/dbraw/zinc/30/04/90/422300490.db2.gz BGAGMUOIESYMMO-HNNXBMFYSA-N 1 0 318.421 1.175 50 0 DDAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC000585122060 422307476 /nfs/dbraw/zinc/30/74/76/422307476.db2.gz LWCSQRKHOATNBC-OIISXLGYSA-N 1 0 302.418 1.880 50 0 DDAARO O=C(NC1CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000585121849 422307552 /nfs/dbraw/zinc/30/75/52/422307552.db2.gz CIBOEFGIQIQQTO-AEFFLSMTSA-N 1 0 300.402 1.804 50 0 DDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc2cc(F)ccc2n1C ZINC000426388178 276360063 /nfs/dbraw/zinc/36/00/63/276360063.db2.gz PNTOZLCTJYYECA-BBRMVZONSA-N 1 0 319.380 1.766 50 0 DDAARO CN(C)[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)c1ccsc1 ZINC000058326359 276865204 /nfs/dbraw/zinc/86/52/04/276865204.db2.gz XGXPJIVDGYLXRM-GXTWGEPZSA-N 1 0 305.451 1.879 50 0 DDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000178964330 277028956 /nfs/dbraw/zinc/02/89/56/277028956.db2.gz JKYWESTZESRRPO-AAEUAGOBSA-N 1 0 308.809 1.959 50 0 DDAARO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1=O ZINC000046180645 277191889 /nfs/dbraw/zinc/19/18/89/277191889.db2.gz XKCBZCDXVZYEFW-INIZCTEOSA-N 1 0 315.417 1.199 50 0 DDAARO COc1c(C)cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000285588663 277361540 /nfs/dbraw/zinc/36/15/40/277361540.db2.gz BVQXZCAETNQCDY-HZPDHXFCSA-N 1 0 318.417 1.857 50 0 DDAARO CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003881760 279176805 /nfs/dbraw/zinc/17/68/05/279176805.db2.gz LLGXVYIDBJEJNB-RDBSUJKOSA-N 1 0 303.406 1.167 50 0 biogenic DDAARO Cc1nn(C)c2nc(N(CC[NH+](C)C)C[C@@H]3CCCO3)sc12 ZINC000095501382 279207970 /nfs/dbraw/zinc/20/79/70/279207970.db2.gz JUYGPGSEMNEMDV-LBPRGKRZSA-N 1 0 323.466 1.885 50 0 DDAARO Cc1nc(-c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])cc2)n[nH]1 ZINC000156875523 279218219 /nfs/dbraw/zinc/21/82/19/279218219.db2.gz KSMBJFYAWPWARE-IAQYHMDHSA-N 1 0 313.405 1.980 50 0 DDAARO Cc1c(-c2ccc([C@@H](C)[NH+](C)C)cc2)c(=O)n(C)c(=O)n1C ZINC000426700064 280195472 /nfs/dbraw/zinc/19/54/72/280195472.db2.gz PGEBDAOYNAMIOA-LLVKDONJSA-N 1 0 301.390 1.682 50 0 DDAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000072282353 288306237 /nfs/dbraw/zinc/30/62/37/288306237.db2.gz JADBJDPIYYCYFL-UKRRQHHQSA-N 1 0 315.483 1.664 50 0 DDAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000044556889 295266044 /nfs/dbraw/zinc/26/60/44/295266044.db2.gz VQCOCQRBFDYNHF-SECBINFHSA-N 1 0 306.790 1.981 50 0 DDAARO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(Cl)cc1F ZINC000237790771 301399065 /nfs/dbraw/zinc/39/90/65/301399065.db2.gz HYBJTEUBRHQOEB-SECBINFHSA-N 1 0 306.790 1.818 50 0 DDAARO c1ccc([C@H](C[NH2+][C@@H]2CN3CCC2CC3)N2CCOCC2)cc1 ZINC000096013555 304856029 /nfs/dbraw/zinc/85/60/29/304856029.db2.gz QDDHRSHRUMNLHN-MOPGFXCFSA-N 1 0 315.461 1.744 50 0 DDAARO Cc1cc(C)n(CCN(C)C(=O)CC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000299761219 334257938 /nfs/dbraw/zinc/25/79/38/334257938.db2.gz XEONPYMRYPFWHB-OAHLLOKOSA-N 1 0 322.453 1.459 50 0 DDAARO O=C(NC[C@H](O)c1ccccc1)NCC1(C[NH+]2CCCC2)CC1 ZINC000534587858 334292796 /nfs/dbraw/zinc/29/27/96/334292796.db2.gz FOYTWULYGZYPRD-INIZCTEOSA-N 1 0 317.433 1.895 50 0 DDAARO Cc1[nH][nH]c(=O)c1CC(=O)NC[C@H](c1cccc(C)c1)[NH+](C)C ZINC000534645358 334307052 /nfs/dbraw/zinc/30/70/52/334307052.db2.gz AKMJFXRQQYFRLV-OAHLLOKOSA-N 1 0 316.405 1.694 50 0 DDAARO C(c1noc(C2CCCC2)n1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000534663397 334323047 /nfs/dbraw/zinc/32/30/47/334323047.db2.gz BROJDUXLBNIHGO-UHFFFAOYSA-N 1 0 306.410 1.682 50 0 DDAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CCOCC3CC3)C[C@H]2C)CC1 ZINC000084714443 483998913 /nfs/dbraw/zinc/99/89/13/483998913.db2.gz LKDWAXLGAVYUKF-QAPCUYQASA-N 1 0 323.481 1.288 50 0 DDAARO O=C1CC[C@@H]([NH2+]Cc2cnc3cnccn23)CCN1CC1CC1 ZINC000670440210 484831671 /nfs/dbraw/zinc/83/16/71/484831671.db2.gz AURCTUUEYXSDDA-CQSZACIVSA-N 1 0 313.405 1.610 50 0 DDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)C1(c2ccccc2F)CC1 ZINC000670466899 484846639 /nfs/dbraw/zinc/84/66/39/484846639.db2.gz FTWNNUPVUSCHHH-AWEZNQCLSA-N 1 0 320.408 1.820 50 0 DDAARO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC(=O)N(C)C3)o2)CC1 ZINC000670467123 484846988 /nfs/dbraw/zinc/84/69/88/484846988.db2.gz MYHJBPQSIXMRSJ-CYBMUJFWSA-N 1 0 319.405 1.472 50 0 DDAARO O=C(C[N@H+]1CC[C@](O)(c2ccccc2)C1)N1CCCCCC1 ZINC000670467971 484847201 /nfs/dbraw/zinc/84/72/01/484847201.db2.gz QYJGXSPFEDSWTB-GOSISDBHSA-N 1 0 302.418 1.983 50 0 DDAARO Cc1ncn(C)c1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000670469583 484848406 /nfs/dbraw/zinc/84/84/06/484848406.db2.gz VZQJKRJHWZJSJU-MRXNPFEDSA-N 1 0 312.417 1.948 50 0 DDAARO COc1ccc(C[NH2+]CCS(=O)(=O)NC(C)C)cc1OC ZINC000216759238 490697001 /nfs/dbraw/zinc/69/70/01/490697001.db2.gz YUTJDDZYFWPLKU-UHFFFAOYSA-N 1 0 316.423 1.121 50 0 DDAARO COC(=O)c1ccc(CC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000294991300 534065678 /nfs/dbraw/zinc/06/56/78/534065678.db2.gz NBHNAHIZZCJQLB-UHFFFAOYSA-N 1 0 304.390 1.568 50 0 DDAARO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@H]2C=CCCC2)C1 ZINC000066497840 521288760 /nfs/dbraw/zinc/28/87/60/521288760.db2.gz YGFOVBVYRQVWLC-GJZGRUSLSA-N 1 0 308.422 1.829 50 0 DDAARO Cc1nc(-c2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)no1 ZINC000299779591 534857797 /nfs/dbraw/zinc/85/77/97/534857797.db2.gz SJLCBUCMZGZVGJ-ZDUSSCGKSA-N 1 0 300.362 1.661 50 0 DDAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000158545619 527400877 /nfs/dbraw/zinc/40/08/77/527400877.db2.gz MHQFEWOSEHIYRD-INIZCTEOSA-N 1 0 303.406 1.082 50 0 DDAARO CCN(CC)C(=O)CSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000426536210 528031981 /nfs/dbraw/zinc/03/19/81/528031981.db2.gz AZBYAAAYTGZDQG-NSHDSACASA-N 1 0 311.455 1.243 50 0 DDAARO C/C=C/C[N@@H+]1CCC[C@H](Cn2cc(CN3CCOCC3)nn2)C1 ZINC000020998553 696072010 /nfs/dbraw/zinc/07/20/10/696072010.db2.gz JQYCVJJJKAESOR-KZSQQDEKSA-N 1 0 319.453 1.398 50 0 DDAARO C[NH2+]Cc1cn(C2CCN(C(=O)c3sccc3C)CC2)nn1 ZINC000023581904 696084155 /nfs/dbraw/zinc/08/41/55/696084155.db2.gz XKXHHPOQFIFOPW-UHFFFAOYSA-N 1 0 319.434 1.845 50 0 DDAARO Cc1ccsc1[C@H](CNC(=O)c1ccc(=O)n(C)c1)[NH+](C)C ZINC000065452213 696344942 /nfs/dbraw/zinc/34/49/42/696344942.db2.gz HEBLJOWXWJHFJE-ZDUSSCGKSA-N 1 0 319.430 1.788 50 0 DDAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000072174097 696393566 /nfs/dbraw/zinc/39/35/66/696393566.db2.gz OCYDFPASMMCFPE-ZDUSSCGKSA-N 1 0 303.406 1.420 50 0 DDAARO Cc1ncnc(N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000077554380 696440873 /nfs/dbraw/zinc/44/08/73/696440873.db2.gz GSEBBAPUXPJCSH-INIZCTEOSA-N 1 0 317.481 1.946 50 0 DDAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)OCC(F)(F)F ZINC000172478422 697367872 /nfs/dbraw/zinc/36/78/72/697367872.db2.gz LWQQKIYLSZFYRA-SNVBAGLBSA-N 1 0 310.316 1.776 50 0 DDAARO O=C(CCC(F)(F)F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173599864 697379977 /nfs/dbraw/zinc/37/99/77/697379977.db2.gz FDWYFJPRRFCOQK-NSHDSACASA-N 1 0 308.344 1.946 50 0 DDAARO CC1(CNC(=O)CCn2cnc3ccccc32)CC[NH2+]CC1 ZINC000183350582 697487288 /nfs/dbraw/zinc/48/72/88/697487288.db2.gz UKIAIMSEZXMPPO-UHFFFAOYSA-N 1 0 300.406 1.932 50 0 DDAARO CNC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000319914362 698715655 /nfs/dbraw/zinc/71/56/55/698715655.db2.gz YZECTPHYRITVID-OAHLLOKOSA-N 1 0 311.385 1.863 50 0 DDAARO Cc1nc([C@@H]([NH3+])[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cn1C ZINC000958528126 716612138 /nfs/dbraw/zinc/61/21/38/716612138.db2.gz MRAIKIMNMSBMSQ-CJNGLKHVSA-N 1 0 324.425 1.490 50 0 DDAARO Cc1cc(N2CCCN(C(=O)C3=C(C)OCCO3)CC2)cc[nH+]1 ZINC000952988066 721532830 /nfs/dbraw/zinc/53/28/30/721532830.db2.gz NAEVEPXGDNCCFO-UHFFFAOYSA-N 1 0 317.389 1.707 50 0 DDAARO CCc1cc(C[NH+]2CCC(CNC(=O)[C@H]3CCOC3)CC2)on1 ZINC000823565504 758330521 /nfs/dbraw/zinc/33/05/21/758330521.db2.gz HDWGGZSFMMTBQP-AWEZNQCLSA-N 1 0 321.421 1.602 50 0 DDAARO CN(C)CC[N@H+](C)C1CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000823692168 758344061 /nfs/dbraw/zinc/34/40/61/758344061.db2.gz JHFXIMKOBBDQHE-KRWDZBQOSA-N 1 0 311.470 1.430 50 0 DDAARO Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000823770094 758350082 /nfs/dbraw/zinc/35/00/82/758350082.db2.gz MLDKHPLUVAFWIN-GFCCVEGCSA-N 1 0 300.366 1.251 50 0 DDAARO COCCC(=O)N1CC([N@@H+](Cc2ccncc2)CC(C)C)C1 ZINC000581776639 761699361 /nfs/dbraw/zinc/69/93/61/761699361.db2.gz YTDMWTRPHKKJEU-UHFFFAOYSA-N 1 0 305.422 1.787 50 0 DDAARO O=C(NC[C@@H]1C[NH2+]Cc2ccccc21)N1CCO[C@@H]2CCC[C@@H]21 ZINC000952852322 775579414 /nfs/dbraw/zinc/57/94/14/775579414.db2.gz VOHVSWWRLILJEN-BHYGNILZSA-N 1 0 315.417 1.836 50 0 DDAARO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000088698046 185262385 /nfs/dbraw/zinc/26/23/85/185262385.db2.gz BVYWWZGMHCGPBE-IJEWVQPXSA-N 1 0 317.433 1.621 50 0 DDAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)s1 ZINC000095391123 185351575 /nfs/dbraw/zinc/35/15/75/185351575.db2.gz AIQAZGMJIHAQEX-CHWSQXEVSA-N 1 0 314.476 1.912 50 0 DDAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000095410399 185357372 /nfs/dbraw/zinc/35/73/72/185357372.db2.gz ALTXAXHUSIFUPW-IUODEOHRSA-N 1 0 312.435 1.752 50 0 DDAARO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000095432101 185363369 /nfs/dbraw/zinc/36/33/69/185363369.db2.gz XZLIJFVMMLUFQU-ZDUSSCGKSA-N 1 0 319.858 1.918 50 0 DDAARO CCc1ncnc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1F ZINC000301961842 529761853 /nfs/dbraw/zinc/76/18/53/529761853.db2.gz IGMCNTPVEPNCPY-UHFFFAOYSA-N 1 0 321.444 1.642 50 0 DDAARO O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000095446918 185367876 /nfs/dbraw/zinc/36/78/76/185367876.db2.gz GJKMBAKKZPYBFM-ZBFHGGJFSA-N 1 0 314.389 1.317 50 0 DDAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC000095466166 185371829 /nfs/dbraw/zinc/37/18/29/185371829.db2.gz YPZUEGDYKGHXRO-LSDHHAIUSA-N 1 0 316.401 1.553 50 0 DDAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccccc2)C1 ZINC000685943027 539567772 /nfs/dbraw/zinc/56/77/72/539567772.db2.gz BRSDMRZXNRYVNJ-UONOGXRCSA-N 1 0 310.419 1.571 50 0 DDAARO C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC[NH+]1CCCC1 ZINC000069902572 190837206 /nfs/dbraw/zinc/83/72/06/190837206.db2.gz XPCYCOCTIYWUMT-AWEZNQCLSA-N 1 0 309.454 1.674 50 0 DDAARO O=C1CNC(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133632477 186001871 /nfs/dbraw/zinc/00/18/71/186001871.db2.gz IWDCSVYZEXCWNF-LSDHHAIUSA-N 1 0 301.390 1.854 50 0 DDAARO O=C1CCCN1C1CC[NH+](Cc2ccccc2OCCO)CC1 ZINC000071752472 191023905 /nfs/dbraw/zinc/02/39/05/191023905.db2.gz PYAVKCGJHGWOQZ-UHFFFAOYSA-N 1 0 318.417 1.645 50 0 DDAARO Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000072157598 191061531 /nfs/dbraw/zinc/06/15/31/191061531.db2.gz 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CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](O)C2)CC1 ZINC000069770649 406768778 /nfs/dbraw/zinc/76/87/78/406768778.db2.gz GSNZQJRZFTYPOB-CQSZACIVSA-N 1 0 318.421 1.427 50 0 DDAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069416132 406708244 /nfs/dbraw/zinc/70/82/44/406708244.db2.gz WXOYGYZXVFIPPL-ZDUSSCGKSA-N 1 0 314.861 1.921 50 0 DDAARO CCOC(=O)c1cnc2c(OC)cccc2c1N1CC[NH2+]CC1 ZINC000004745252 406728597 /nfs/dbraw/zinc/72/85/97/406728597.db2.gz OLWRDQRYQVXBAR-UHFFFAOYSA-N 1 0 315.373 1.830 50 0 DDAARO CCN(C1CC[NH+](CCc2ccccn2)CC1)S(C)(=O)=O ZINC000069976087 406798798 /nfs/dbraw/zinc/79/87/98/406798798.db2.gz VQXBFAAXXKHXHH-UHFFFAOYSA-N 1 0 311.451 1.370 50 0 DDAARO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000069972383 406799241 /nfs/dbraw/zinc/79/92/41/406799241.db2.gz QCSNOUYDRDFPFU-OAHLLOKOSA-N 1 0 324.446 1.043 50 0 DDAARO Cc1ccoc1C(=O)N[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000011944642 406834694 /nfs/dbraw/zinc/83/46/94/406834694.db2.gz ILFDCPKZBDJMOJ-AWEZNQCLSA-N 1 0 305.422 1.876 50 0 DDAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nncn2CC1 ZINC000012510841 406846731 /nfs/dbraw/zinc/84/67/31/406846731.db2.gz YLNYHVNSAKOLCM-CYBMUJFWSA-N 1 0 314.389 1.744 50 0 DDAARO Cc1nc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cs1 ZINC000071834679 406850638 /nfs/dbraw/zinc/85/06/38/406850638.db2.gz PKMCQZLRYZSCDM-LLVKDONJSA-N 1 0 309.435 1.777 50 0 DDAARO CC[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000071867420 406856522 /nfs/dbraw/zinc/85/65/22/406856522.db2.gz ZIHNEIQAUUULAV-DOTOQJQBSA-N 1 0 303.450 1.932 50 0 DDAARO CC(C)c1ocnc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000071907646 406864864 /nfs/dbraw/zinc/86/48/64/406864864.db2.gz SSXGAOKQGZVHHN-UHFFFAOYSA-N 1 0 322.453 1.801 50 0 DDAARO COc1cc(CNCCC[NH2+]CCO)cc(Cl)c1OC ZINC000013733043 406867115 /nfs/dbraw/zinc/86/71/15/406867115.db2.gz OXJCVNCMRIYIGH-UHFFFAOYSA-N 1 0 302.802 1.419 50 0 DDAARO [NH3+]CCNC(=O)c1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000014988323 406878071 /nfs/dbraw/zinc/87/80/71/406878071.db2.gz RTESTQPNBJFFTI-UHFFFAOYSA-N 1 0 314.267 1.368 50 0 DDAARO OCC[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019226823 406885440 /nfs/dbraw/zinc/88/54/40/406885440.db2.gz DBXGLMSEKASPCD-QGZVFWFLSA-N 1 0 323.868 1.919 50 0 DDAARO Cc1cc(C)c2[nH]c(=O)c(CN3CCO[C@H](C[NH3+])C3)cc2c1 ZINC000071479481 406841010 /nfs/dbraw/zinc/84/10/10/406841010.db2.gz SUVAGWXRAKUBAS-OAHLLOKOSA-N 1 0 301.390 1.304 50 0 DDAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000034676348 406964842 /nfs/dbraw/zinc/96/48/42/406964842.db2.gz GEPNDMINFGZPKW-MRXNPFEDSA-N 1 0 317.433 1.828 50 0 DDAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c1C ZINC000036316613 406977699 /nfs/dbraw/zinc/97/76/99/406977699.db2.gz QNIGRJIIWZQQGV-INIZCTEOSA-N 1 0 320.433 1.549 50 0 DDAARO C[C@@H](CCOc1ccccc1)ON1C(=N)NC(=[NH2+])NC1(C)C ZINC000075273282 406928457 /nfs/dbraw/zinc/92/84/57/406928457.db2.gz GOEKUTHYRVKCBU-NSHDSACASA-N 1 0 305.382 1.457 50 0 DDAARO CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000030427058 406932336 /nfs/dbraw/zinc/93/23/36/406932336.db2.gz IVTYRCXSYUIQJY-UHFFFAOYSA-N 1 0 321.421 1.869 50 0 DDAARO c1csc(C[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)c1 ZINC000032565138 406949133 /nfs/dbraw/zinc/94/91/33/406949133.db2.gz FTHAMWPZSRDZCS-UHFFFAOYSA-N 1 0 300.391 1.737 50 0 DDAARO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccnc1N1CCOCC1 ZINC000041915167 407010600 /nfs/dbraw/zinc/01/06/00/407010600.db2.gz GDJATMGADSCXES-AWEZNQCLSA-N 1 0 320.437 1.378 50 0 DDAARO C=C1C(N2CCC([NH3+])CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000045796219 407050058 /nfs/dbraw/zinc/05/00/58/407050058.db2.gz WDMVSURPZQYWFP-UHFFFAOYSA-N 1 0 305.403 1.583 50 0 DDAARO CCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000084801182 407094095 /nfs/dbraw/zinc/09/40/95/407094095.db2.gz JANDNXAYKDXMSD-KRWDZBQOSA-N 1 0 320.433 1.540 50 0 DDAARO COc1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000048303281 407094444 /nfs/dbraw/zinc/09/44/44/407094444.db2.gz NZCJSUUSLHRFBT-OAHLLOKOSA-N 1 0 318.421 1.860 50 0 DDAARO COc1ccc(CC(=O)N2CCOC[C@@H]2C[NH+](C)C)cc1OC ZINC000085470007 407102693 /nfs/dbraw/zinc/10/26/93/407102693.db2.gz UJHZZHKJKBEKEA-AWEZNQCLSA-N 1 0 322.405 1.035 50 0 DDAARO COCC[NH+]1CCC(NC(=O)c2cccc(OC)c2OC)CC1 ZINC000085467915 407102808 /nfs/dbraw/zinc/10/28/08/407102808.db2.gz PWIPDOZKYBKLRD-UHFFFAOYSA-N 1 0 322.405 1.544 50 0 DDAARO Cc1csc(=O)n1CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046879677 407065459 /nfs/dbraw/zinc/06/54/59/407065459.db2.gz VOGGFAHGFGUPBO-LBPRGKRZSA-N 1 0 311.451 1.456 50 0 DDAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000050241963 407129753 /nfs/dbraw/zinc/12/97/53/407129753.db2.gz WUPXZDWGFPSPAE-MRVPVSSYSA-N 1 0 323.187 1.310 50 0 DDAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1 ZINC000089518334 407139198 /nfs/dbraw/zinc/13/91/98/407139198.db2.gz GAUOACDOUNNYOW-SNVBAGLBSA-N 1 0 324.406 1.179 50 0 DDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CCc3sccc3C2)C1=O ZINC000052432627 407151187 /nfs/dbraw/zinc/15/11/87/407151187.db2.gz FBUDGUQNSTWIFW-UHFFFAOYSA-N 1 0 307.419 1.827 50 0 DDAARO Cc1nn2c(nc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2=O)s1 ZINC000052774807 407156589 /nfs/dbraw/zinc/15/65/89/407156589.db2.gz WFNMZRLLWDYJBK-LLVKDONJSA-N 1 0 320.418 1.460 50 0 DDAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000052774833 407156652 /nfs/dbraw/zinc/15/66/52/407156652.db2.gz MSMIHRWPHWXERA-USXIJHARSA-N 1 0 322.449 1.657 50 0 DDAARO Cc1ccsc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052843770 407159041 /nfs/dbraw/zinc/15/90/41/407159041.db2.gz FREPOESVZLMEGU-UHFFFAOYSA-N 1 0 307.463 1.910 50 0 DDAARO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000053254459 407165980 /nfs/dbraw/zinc/16/59/80/407165980.db2.gz HPIIOCCLMJQJAX-SECBINFHSA-N 1 0 319.224 1.479 50 0 DDAARO Cc1nc(C)c(C)c(N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000092019361 407185945 /nfs/dbraw/zinc/18/59/45/407185945.db2.gz ZXFBMOKANDFAJK-QGZVFWFLSA-N 1 0 317.481 1.866 50 0 DDAARO CC[N@H+](CCNC(=O)CNC(=O)/C=C\c1ccccc1)C1CC1 ZINC000096257291 407256799 /nfs/dbraw/zinc/25/67/99/407256799.db2.gz KACDDXGBXGGHGM-FLIBITNWSA-N 1 0 315.417 1.417 50 0 DDAARO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCOCC2)C12CCCC2 ZINC000096419679 407263256 /nfs/dbraw/zinc/26/32/56/407263256.db2.gz NLJKOKMUNUNNAJ-LSDHHAIUSA-N 1 0 310.438 1.515 50 0 DDAARO Cc1nn(CCO)c(C)c1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000055228443 407198109 /nfs/dbraw/zinc/19/81/09/407198109.db2.gz DGWRNEBWNSOPQY-UHFFFAOYSA-N 1 0 319.453 1.884 50 0 DDAARO CCC(=O)c1ccc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000055370850 407201975 /nfs/dbraw/zinc/20/19/75/407201975.db2.gz YKOLATNDKLHWEY-HNNXBMFYSA-N 1 0 316.401 1.965 50 0 DDAARO CC(C)[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000095354977 407207632 /nfs/dbraw/zinc/20/76/32/407207632.db2.gz DYQRLYFEGNDUIW-LSDHHAIUSA-N 1 0 300.410 1.685 50 0 DDAARO Nc1nc(NCc2nnc(-c3ccncc3)[nH]2)c2c([nH+]1)CCCC2 ZINC000095375004 407210518 /nfs/dbraw/zinc/21/05/18/407210518.db2.gz UCKVFAUMVKZMHQ-UHFFFAOYSA-N 1 0 322.376 1.730 50 0 DDAARO Cc1cc(C)n(CCNc2cc(C(C)C)[nH+]c(N)n2)c(=O)n1 ZINC000095375982 407210618 /nfs/dbraw/zinc/21/06/18/407210618.db2.gz HBBXFWAQAZLVEM-UHFFFAOYSA-N 1 0 302.382 1.468 50 0 DDAARO CCOCC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000057566803 407216371 /nfs/dbraw/zinc/21/63/71/407216371.db2.gz AUBPLUFINHECOO-UHFFFAOYSA-N 1 0 306.406 1.612 50 0 DDAARO COc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1OC ZINC000060818248 407227445 /nfs/dbraw/zinc/22/74/45/407227445.db2.gz OGMZKIOKQMHAAM-UHFFFAOYSA-N 1 0 308.422 1.904 50 0 DDAARO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000061649908 407229665 /nfs/dbraw/zinc/22/96/65/407229665.db2.gz TYSNNUHQRNFXMI-HOCLYGCPSA-N 1 0 304.390 1.678 50 0 DDAARO CSC[C@@](C)(O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000096414661 407262536 /nfs/dbraw/zinc/26/25/36/407262536.db2.gz FVAZNKQWGONCOP-ZFWWWQNUSA-N 1 0 302.484 1.727 50 0 DDAARO c1ccc(-c2ccnc(N[C@H]3COC[C@@H]3[NH+]3CCCC3)n2)nc1 ZINC000096150760 407240454 /nfs/dbraw/zinc/24/04/54/407240454.db2.gz WSHPTQTXIYEPFF-HOTGVXAUSA-N 1 0 311.389 1.814 50 0 DDAARO CC(C)[N@H+](C)C[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000065434360 407243239 /nfs/dbraw/zinc/24/32/39/407243239.db2.gz MSKNCAOOWUHDLH-ZDUSSCGKSA-N 1 0 302.426 1.920 50 0 DDAARO O=C(c1cc(C2CC2)on1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000065440603 407243411 /nfs/dbraw/zinc/24/34/11/407243411.db2.gz QDSCGQZCKKWTLS-CQSZACIVSA-N 1 0 319.405 1.879 50 0 DDAARO Cc1cc(C)n2ncc(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)c2n1 ZINC000065384109 407243871 /nfs/dbraw/zinc/24/38/71/407243871.db2.gz YLYOVJHYMXEPSC-HNNXBMFYSA-N 1 0 315.421 1.835 50 0 DDAARO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000096421691 407263588 /nfs/dbraw/zinc/26/35/88/407263588.db2.gz IXJBIZSPGAKGGZ-HNNXBMFYSA-N 1 0 318.421 1.789 50 0 DDAARO Cc1cccc(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096454790 407268743 /nfs/dbraw/zinc/26/87/43/407268743.db2.gz RKPXJMLVGQOAAJ-QGZVFWFLSA-N 1 0 302.418 1.718 50 0 DDAARO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096454798 407269080 /nfs/dbraw/zinc/26/90/80/407269080.db2.gz XTHYGKMFCCJBKK-CQSZACIVSA-N 1 0 313.401 1.962 50 0 DDAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)c1 ZINC000067458193 407274314 /nfs/dbraw/zinc/27/43/14/407274314.db2.gz DRZDQROLRIDBGK-CQSZACIVSA-N 1 0 303.406 1.117 50 0 DDAARO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccnc1-n1cncn1 ZINC000097081500 407278376 /nfs/dbraw/zinc/27/83/76/407278376.db2.gz IZDSSERYGCTMAR-UHFFFAOYSA-N 1 0 317.397 1.466 50 0 DDAARO CCNc1nc(NCCNC(=O)c2snnc2C)cc(C)[nH+]1 ZINC000067622134 407278493 /nfs/dbraw/zinc/27/84/93/407278493.db2.gz AMHYEIUWPUQPOC-UHFFFAOYSA-N 1 0 321.410 1.219 50 0 DDAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C/c1ccccc1 ZINC000067713656 407281265 /nfs/dbraw/zinc/28/12/65/407281265.db2.gz KLJJFUFZDYNLOI-ISEXYEMMSA-N 1 0 315.417 1.496 50 0 DDAARO Cc1nn(CCO)c(C)c1C[NH2+]CCc1cn2c(n1)CCCC2 ZINC000097159853 407284326 /nfs/dbraw/zinc/28/43/26/407284326.db2.gz UITROVKOBQFKLN-UHFFFAOYSA-N 1 0 317.437 1.357 50 0 DDAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(CC3CCCCC3)nn2)C[NH2+]1 ZINC000067946473 407291341 /nfs/dbraw/zinc/29/13/41/407291341.db2.gz OERNFVXXHCBCCR-CABCVRRESA-N 1 0 305.426 1.440 50 0 DDAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000097436991 407294029 /nfs/dbraw/zinc/29/40/29/407294029.db2.gz WRFBXWJFZGQOKI-QGZVFWFLSA-N 1 0 310.401 1.723 50 0 DDAARO Cc1cc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)n(C)n1 ZINC000097475518 407298358 /nfs/dbraw/zinc/29/83/58/407298358.db2.gz HDMLAPDRDQIUFN-UHFFFAOYSA-N 1 0 320.437 1.236 50 0 DDAARO O=C(NCc1csc2c1CCCC2)[C@H]1CCC[N@@H+](CCO)C1 ZINC000097681729 407301398 /nfs/dbraw/zinc/30/13/98/407301398.db2.gz JFIABKKDDVYNKP-ZDUSSCGKSA-N 1 0 322.474 1.947 50 0 DDAARO COc1cc(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc(OC)c1 ZINC000097729541 407302279 /nfs/dbraw/zinc/30/22/79/407302279.db2.gz MMWDFRUVZNKERU-INIZCTEOSA-N 1 0 306.406 1.847 50 0 DDAARO COCCOc1cccc(NC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000097766531 407302485 /nfs/dbraw/zinc/30/24/85/407302485.db2.gz 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ZINC000254924873 407466756 /nfs/dbraw/zinc/46/67/56/407466756.db2.gz LYUWKZFQEZKBAH-NBQFXCCRSA-N 1 0 316.405 1.040 50 0 DDAARO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)nnn1-c1ccccc1Cl ZINC000178522380 407482032 /nfs/dbraw/zinc/48/20/32/407482032.db2.gz QJIZRWMAPKYYIT-LLVKDONJSA-N 1 0 319.796 1.650 50 0 DDAARO CO[C@@H]1C[N@H+](C2CCN(C(=O)C(C)C)CC2)C12CCOCC2 ZINC000257183097 407483975 /nfs/dbraw/zinc/48/39/75/407483975.db2.gz QVAHMHZGIGOXAH-OAHLLOKOSA-N 1 0 310.438 1.513 50 0 DDAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1cc(C(F)(F)F)ccc1Cl ZINC000215804107 407489325 /nfs/dbraw/zinc/48/93/25/407489325.db2.gz JABCHGPICYOLSE-GFCCVEGCSA-N 1 0 322.714 1.813 50 0 DDAARO O=C1OCC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000216275285 407495749 /nfs/dbraw/zinc/49/57/49/407495749.db2.gz HVAXKEJCYZOUCZ-UHFFFAOYSA-N 1 0 315.333 1.368 50 0 DDAARO Cc1cn2c(n1)CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC000170603083 407448515 /nfs/dbraw/zinc/44/85/15/407448515.db2.gz XWOLXRHJFUBODL-GFCCVEGCSA-N 1 0 306.410 1.715 50 0 DDAARO CCc1ccc([C@@H](CNC(=O)C[S@](=O)CC)[NH+](C)C)cc1 ZINC000170617869 407456562 /nfs/dbraw/zinc/45/65/62/407456562.db2.gz KUZLZNKNJXIMBD-QVKFZJNVSA-N 1 0 310.463 1.737 50 0 DDAARO COc1cc(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000221291081 407544485 /nfs/dbraw/zinc/54/44/85/407544485.db2.gz FPKPEQYLYNBUIC-AWEZNQCLSA-N 1 0 321.396 1.296 50 0 DDAARO COCCC[NH+]1CCC(NC(=O)c2ccncc2Cl)CC1 ZINC000266668514 407596598 /nfs/dbraw/zinc/59/65/98/407596598.db2.gz IVCDDPPJJADVIX-UHFFFAOYSA-N 1 0 311.813 1.966 50 0 DDAARO Cc1cc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)no1 ZINC000225566963 407598078 /nfs/dbraw/zinc/59/80/78/407598078.db2.gz XEOAEYXOLCLFEC-ZDUSSCGKSA-N 1 0 309.435 1.930 50 0 DDAARO Cc1cc(N2CCC(N3CCS(=O)(=O)CC3)CC2)cc[nH+]1 ZINC000225602701 407596322 /nfs/dbraw/zinc/59/63/22/407596322.db2.gz JKQVXLBDWCRCEO-UHFFFAOYSA-N 1 0 309.435 1.089 50 0 DDAARO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000229820316 407672769 /nfs/dbraw/zinc/67/27/69/407672769.db2.gz SUFLPEYGMNFZMA-RYUDHWBXSA-N 1 0 322.384 1.533 50 0 DDAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000230081623 407679994 /nfs/dbraw/zinc/67/99/94/407679994.db2.gz MSANXAXMBVGQFO-FUHWJXTLSA-N 1 0 320.481 1.764 50 0 DDAARO Cc1ccc(CNC(=O)CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000230127337 407683143 /nfs/dbraw/zinc/68/31/43/407683143.db2.gz STEOBCHBEJRURK-CVEARBPZSA-N 1 0 320.458 1.818 50 0 DDAARO COc1ccc(C)cc1-n1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000179060952 407709747 /nfs/dbraw/zinc/70/97/47/407709747.db2.gz QVOJOAIURGKWGP-CYBMUJFWSA-N 1 0 314.389 1.623 50 0 DDAARO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)C[NH3+])C2)n1 ZINC000262375993 407817176 /nfs/dbraw/zinc/81/71/76/407817176.db2.gz MIQKWJJFIHAMLF-WCQYABFASA-N 1 0 304.394 1.162 50 0 DDAARO CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000244701180 407931493 /nfs/dbraw/zinc/93/14/93/407931493.db2.gz KBPLPSFVAVMEAF-INIZCTEOSA-N 1 0 319.405 1.820 50 0 DDAARO COc1ccc(CNC(=O)CC[NH+]2CCC(OC)CC2)cc1 ZINC000244787753 407938319 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C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@H]1CCCCO1 ZINC000249201339 408704850 /nfs/dbraw/zinc/70/48/50/408704850.db2.gz QXQYLMPSKBTPFD-QLFBSQMISA-N 1 0 318.483 1.595 50 0 DDAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000249396903 408723135 /nfs/dbraw/zinc/72/31/35/408723135.db2.gz BFVDPUSLUBPVQB-GDBMZVCRSA-N 1 0 310.463 1.879 50 0 DDAARO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1F ZINC000192959548 408675826 /nfs/dbraw/zinc/67/58/26/408675826.db2.gz YHGPKWMNAJCUHY-HIFRSBDPSA-N 1 0 308.397 1.987 50 0 DDAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C\c1ccccc1 ZINC000252669064 408808939 /nfs/dbraw/zinc/80/89/39/408808939.db2.gz GKCPWLCZHXSSAJ-BSQDILAGSA-N 1 0 315.417 1.415 50 0 DDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC000249700265 408757615 /nfs/dbraw/zinc/75/76/15/408757615.db2.gz XMAUALICHBBIGK-HUUCEWRRSA-N 1 0 313.405 1.818 50 0 DDAARO Cc1c(Cl)c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1C ZINC000333778398 410604555 /nfs/dbraw/zinc/60/45/55/410604555.db2.gz DJPAALLJWLGMBL-RYUDHWBXSA-N 1 0 310.829 1.986 50 0 DDAARO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000299758400 410609059 /nfs/dbraw/zinc/60/90/59/410609059.db2.gz KMRJJGPPKHYAJN-ZDUSSCGKSA-N 1 0 304.394 1.618 50 0 DDAARO CC(=O)c1cccc(C(=O)N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)c1 ZINC000299763776 410612587 /nfs/dbraw/zinc/61/25/87/410612587.db2.gz RQNJHTNLJLLQKU-JKSUJKDBSA-N 1 0 304.390 1.274 50 0 DDAARO COCCS(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000330407377 410674583 /nfs/dbraw/zinc/67/45/83/410674583.db2.gz GJNCQWGISMUWMJ-HIFRSBDPSA-N 1 0 312.435 1.388 50 0 DDAARO COc1ccc([C@H](O)C(=O)NCC2(C[NH+]3CCCC3)CC2)cc1 ZINC000299786742 410627167 /nfs/dbraw/zinc/62/71/67/410627167.db2.gz NBBIMLLFGSMRGT-INIZCTEOSA-N 1 0 318.417 1.721 50 0 DDAARO COc1cccc(C(=O)NC2CCOCC2)c1OCCC[NH3+] ZINC000299790843 410632528 /nfs/dbraw/zinc/63/25/28/410632528.db2.gz CFEIIAIKHNZKAN-UHFFFAOYSA-N 1 0 308.378 1.332 50 0 DDAARO CCCCOc1cccc(NC(=O)NC[C@]2(O)CC[NH2+]C2)c1 ZINC000299800057 410638935 /nfs/dbraw/zinc/63/89/35/410638935.db2.gz ZKPXCSNXUQUPMK-INIZCTEOSA-N 1 0 307.394 1.711 50 0 DDAARO CNc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C)ncc1F ZINC000534586696 416505662 /nfs/dbraw/zinc/50/56/62/416505662.db2.gz VFFHTWLXMCCGOJ-UHFFFAOYSA-N 1 0 323.401 1.404 50 0 DDAARO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(C(F)(F)F)c2)CCO1 ZINC000416798794 225062274 /nfs/dbraw/zinc/06/22/74/225062274.db2.gz CJGRYSIZYVTVCN-GFCCVEGCSA-N 1 0 317.311 1.575 50 0 DDAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COC ZINC000028305537 418413334 /nfs/dbraw/zinc/41/33/34/418413334.db2.gz SERDBFLUOLFTLN-UHFFFAOYSA-N 1 0 304.394 1.963 50 0 DDAARO Cc1ccccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)CCC(N)=O ZINC000044978099 418435481 /nfs/dbraw/zinc/43/54/81/418435481.db2.gz PJVOXHBRWDBJRP-OAHLLOKOSA-N 1 0 324.446 1.422 50 0 DDAARO O=C(NCCNc1ncccn1)N1CC[NH+](C2CCCC2)CC1 ZINC000047057505 418452060 /nfs/dbraw/zinc/45/20/60/418452060.db2.gz RASONGOGAACFOA-UHFFFAOYSA-N 1 0 318.425 1.158 50 0 DDAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000048132408 418465414 /nfs/dbraw/zinc/46/54/14/418465414.db2.gz FDTVBRNDMDUPLW-GFCCVEGCSA-N 1 0 317.397 1.514 50 0 DDAARO CC[C@@H]1CN(C[C@H](O)c2ccccc2F)CC[N@@H+]1C[C@H](C)O ZINC000107320766 418498361 /nfs/dbraw/zinc/49/83/61/418498361.db2.gz KXCZEUSENXWJMH-VBQJREDUSA-N 1 0 310.413 1.636 50 0 DDAARO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1c(C)nn(C)c1OC)C2 ZINC000108496682 418499264 /nfs/dbraw/zinc/49/92/64/418499264.db2.gz UJTLNXDICKDJQN-BLLLJJGKSA-N 1 0 307.394 1.512 50 0 DDAARO CC(C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)[NH+](C)C ZINC000048263098 418468149 /nfs/dbraw/zinc/46/81/49/418468149.db2.gz REWRAQMMHRSMDE-ZDUSSCGKSA-N 1 0 305.378 1.334 50 0 DDAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1N1CCOCC1 ZINC000257365917 418568258 /nfs/dbraw/zinc/56/82/58/418568258.db2.gz BQNQCBWKOHGWGP-XBVQOTNRSA-N 1 0 315.417 1.364 50 0 DDAARO COc1ccc([C@H](CC(=O)N2CC[NH2+][C@H](C)C2)NC(C)=O)cc1 ZINC000188464088 222015043 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CCc1nc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)ncc1C ZINC000426652882 419523188 /nfs/dbraw/zinc/52/31/88/419523188.db2.gz KINZHCBVHILPTE-MRXNPFEDSA-N 1 0 317.481 1.811 50 0 DDAARO Cc1csc2nc(Cl)c(CN3C[C@@H]4[NH2+]CCO[C@H]4C3)n12 ZINC000426521228 419497912 /nfs/dbraw/zinc/49/79/12/419497912.db2.gz LVEJOGZNCCESSH-ONGXEEELSA-N 1 0 312.826 1.530 50 0 DDAARO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000299747193 229388685 /nfs/dbraw/zinc/38/86/85/229388685.db2.gz CIOPEECUAPNUKD-MFKMUULPSA-N 1 0 317.393 1.725 50 0 DDAARO Cc1nnc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)n1C ZINC000630093124 421884021 /nfs/dbraw/zinc/88/40/21/421884021.db2.gz ISGRHQOGZUASFS-HNNXBMFYSA-N 1 0 319.453 1.737 50 0 DDAARO CC[C@H](C)n1cnc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000095972644 287797645 /nfs/dbraw/zinc/79/76/45/287797645.db2.gz QMMMWRCCMOGLSI-XQQFMLRXSA-N 1 0 314.455 1.650 50 0 DDAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC2(CCCC2)c2c1cccc2F ZINC000238015225 275009562 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