smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N)n(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000217140368 241238295 /nfs/dbraw/zinc/23/82/95/241238295.db2.gz WLTVPRQVGKXPFK-INIZCTEOSA-N 1 0 327.432 1.289 50 70 EDIARO Cc1ccccc1[C@@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)N(C)C ZINC000217438252 241251296 /nfs/dbraw/zinc/25/12/96/241251296.db2.gz FJYQMQJCUQWGIO-SFHVURJKSA-N 1 0 347.503 1.760 50 70 EDIARO Cc1ccn2cc(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)nc2c1 ZINC000218589890 241332990 /nfs/dbraw/zinc/33/29/90/241332990.db2.gz RTMLEWZMYGXAOP-MRXNPFEDSA-N 1 0 343.475 1.675 50 70 EDIARO COCc1nc(NCc2cnc3cnccn23)cc(C2CC([NH3+])C2)n1 ZINC000218751423 241344282 /nfs/dbraw/zinc/34/42/82/241344282.db2.gz SPGVQBLURADRAD-UHFFFAOYSA-N 1 0 339.403 1.483 50 70 EDIARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000160382079 441874827 /nfs/dbraw/zinc/87/48/27/441874827.db2.gz RGSPSCVYMRWXTE-JTQLQIEISA-N 1 0 336.335 1.543 50 70 EDIARO COc1cccc(CC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000217042748 241233551 /nfs/dbraw/zinc/23/35/51/241233551.db2.gz DWOTXBGWKFNILX-GOSISDBHSA-N 1 0 332.444 1.951 50 70 EDIARO Cc1cc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cc[nH+]1 ZINC000218162269 241301966 /nfs/dbraw/zinc/30/19/66/241301966.db2.gz LKWFTGGERGZJQV-SFHVURJKSA-N 1 0 338.415 1.812 50 70 EDIARO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000161250019 441977616 /nfs/dbraw/zinc/97/76/16/441977616.db2.gz UJSQILKGBUUISV-YPMHNXCESA-N 1 0 337.370 1.528 50 70 EDIARO NC(=O)c1ccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000218739696 241341497 /nfs/dbraw/zinc/34/14/97/241341497.db2.gz ZNQMEXZFGGKAFA-GFCCVEGCSA-N 1 0 326.400 1.570 50 70 EDIARO CN1CCC2(CCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)CCC1=O ZINC000218106991 536349858 /nfs/dbraw/zinc/34/98/58/536349858.db2.gz MNDXNGQADPZRJB-UHFFFAOYSA-N 1 0 343.475 1.910 50 70 EDIARO O=C(NCc1cnc2cnccn12)C1CC[NH+](Cc2ccco2)CC1 ZINC000217772850 241275020 /nfs/dbraw/zinc/27/50/20/241275020.db2.gz RXCZRYDZPFHUOA-UHFFFAOYSA-N 1 0 339.399 1.851 50 70 EDIARO O=C(CN1CCOC1=O)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000217168448 241239389 /nfs/dbraw/zinc/23/93/89/241239389.db2.gz MKRLTGYUPLXJEJ-SJORKVTESA-N 1 0 343.427 1.562 50 70 EDIARO CC(C)Cc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)on1 ZINC000218018423 241292298 /nfs/dbraw/zinc/29/22/98/241292298.db2.gz BVERIGBFABAWIC-XLNGHYISSA-N 1 0 333.432 1.855 50 70 EDIARO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160221960 441866368 /nfs/dbraw/zinc/86/63/68/441866368.db2.gz MMDGYMGSRZFAMD-YPMHNXCESA-N 1 0 328.409 1.185 50 70 EDIARO CN(CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O)Cc1ccc(F)cc1 ZINC000161202668 441971440 /nfs/dbraw/zinc/97/14/40/441971440.db2.gz RWEPAJKURSAKGR-UHFFFAOYSA-N 1 0 348.422 1.274 50 70 EDIARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000218267648 241309747 /nfs/dbraw/zinc/30/97/47/241309747.db2.gz ZZBZJVLZEJQNDJ-QZTJIDSGSA-N 1 0 343.427 1.700 50 70 EDIARO O=C(CN1CCC[C@@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000218379712 241316758 /nfs/dbraw/zinc/31/67/58/241316758.db2.gz SBLHBAXRLCSIIN-GOSISDBHSA-N 1 0 331.460 1.355 50 70 EDIARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(CN3CCCC3=O)CC2)n1 ZINC000218234533 241308294 /nfs/dbraw/zinc/30/82/94/241308294.db2.gz JQNOGTSBGNWVNQ-UHFFFAOYSA-N 1 0 344.463 1.102 50 70 EDIARO Cc1c(Cl)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)nn1C ZINC000218230186 278597247 /nfs/dbraw/zinc/59/72/47/278597247.db2.gz OAASOVZVIIXVMZ-DZGBDDFRSA-N 1 0 338.839 1.363 50 70 EDIARO CCc1c(C(=O)N2CC[NH2+]CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC000159452982 441814974 /nfs/dbraw/zinc/81/49/74/441814974.db2.gz UKPXGVGXHWNJLU-UHFFFAOYSA-N 1 0 343.431 1.662 50 70 EDIARO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(Cl)cc1Cl ZINC000160198230 441865520 /nfs/dbraw/zinc/86/55/20/441865520.db2.gz PPWYMDKJFIHVMZ-SSDOTTSWSA-N 1 0 337.228 1.570 50 70 EDIARO COc1ccc(Br)cc1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160322723 258015403 /nfs/dbraw/zinc/01/54/03/258015403.db2.gz ACOBQAXSLHEKOT-GFCCVEGCSA-N 1 0 327.222 1.950 50 70 EDIARO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000161250307 277284722 /nfs/dbraw/zinc/28/47/22/277284722.db2.gz UJSQILKGBUUISV-WCQYABFASA-N 1 0 337.370 1.528 50 70 EDIARO Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3ncc[nH]3)CC2)c1 ZINC000217754239 241273497 /nfs/dbraw/zinc/27/34/97/241273497.db2.gz OWAYTMSKRMKAFD-UHFFFAOYSA-N 1 0 341.459 1.889 50 70 EDIARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 ZINC000217204372 241242870 /nfs/dbraw/zinc/24/28/70/241242870.db2.gz NXCKGEPBDFUHOC-YRWFTTLQSA-N 1 0 343.471 1.680 50 70 EDIARO Nc1nc(NCc2noc(C3CCCC3)n2)cc(C2CC([NH3+])C2)n1 ZINC000218124135 241299589 /nfs/dbraw/zinc/29/95/89/241299589.db2.gz TVTGWTRCVSHITR-UHFFFAOYSA-N 1 0 329.408 1.916 50 70 EDIARO O=C(CN1CCC[C@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000218379795 241316821 /nfs/dbraw/zinc/31/68/21/241316821.db2.gz SBLHBAXRLCSIIN-SFHVURJKSA-N 1 0 331.460 1.355 50 70 EDIARO CN1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1 ZINC000218279723 241310486 /nfs/dbraw/zinc/31/04/86/241310486.db2.gz BTWMSGIVCAPXSJ-UHFFFAOYSA-N 1 0 335.448 1.469 50 70 EDIARO CN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000218698564 241339829 /nfs/dbraw/zinc/33/98/29/241339829.db2.gz CCRIOOWOZPFTGW-UHFFFAOYSA-N 1 0 336.399 1.554 50 70 EDIARO C[NH+](C)[C@H]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000218711838 241340334 /nfs/dbraw/zinc/34/03/34/241340334.db2.gz AJQJIWLUGHGWHZ-SFHVURJKSA-N 1 0 341.459 1.167 50 70 EDIARO Cc1nc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(=O)[nH]c1C ZINC000160006901 225318986 /nfs/dbraw/zinc/31/89/86/225318986.db2.gz KCJREAUZRYKGGG-OAHLLOKOSA-N 1 0 334.464 1.873 50 70 EDIARO Cc1ccc(N2CCC([NH2+][C@@H]3COCC[C@@H]3OCC(N)=O)CC2)cc1 ZINC000218405876 443058361 /nfs/dbraw/zinc/05/83/61/443058361.db2.gz XNERTTFHLSJHQQ-MSOLQXFVSA-N 1 0 347.459 1.213 50 70 EDIARO CSCc1nc(CNC(=O)C[C@H]2CN(C)CC[N@@H+]2C)cs1 ZINC000217743594 241272739 /nfs/dbraw/zinc/27/27/39/241272739.db2.gz QMLXRKWLOGKWKC-LBPRGKRZSA-N 1 0 328.507 1.258 50 70 EDIARO O[C@H]1CN(Cc2ccc3[nH]ccc3c2)CC[N@@H+](C2CCOCC2)C1 ZINC000217195689 241242377 /nfs/dbraw/zinc/24/23/77/241242377.db2.gz QQLJSZQCQQQMFW-SFHVURJKSA-N 1 0 329.444 1.825 50 70 EDIARO Cc1nc(CCN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000218424569 241322270 /nfs/dbraw/zinc/32/22/70/241322270.db2.gz QYBGYOIRVSFKJF-MRXNPFEDSA-N 1 0 328.416 1.868 50 70 EDIARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(Cc3cccs3)CC2)n1 ZINC000218105668 241298147 /nfs/dbraw/zinc/29/81/47/241298147.db2.gz UPXIAPKFZQIWFO-UHFFFAOYSA-N 1 0 344.488 1.647 50 70 EDIARO Cc1nonc1CC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000217081500 241236799 /nfs/dbraw/zinc/23/67/99/241236799.db2.gz NXAPATZCQHJRET-UHFFFAOYSA-N 1 0 340.427 1.622 50 70 EDIARO O=C([C@H]1CCC[C@@H](O)C1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000218390856 241319009 /nfs/dbraw/zinc/31/90/09/241319009.db2.gz LIVWYBLWBCVVBC-PKOBYXMFSA-N 1 0 328.456 1.849 50 70 EDIARO O=C(CCn1cnnn1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000217034932 485736459 /nfs/dbraw/zinc/73/64/59/485736459.db2.gz DZMCDONASMBAFF-MRXNPFEDSA-N 1 0 328.420 1.407 50 70 EDIARO CN1CC[N@H+](C)[C@@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000216924400 241222770 /nfs/dbraw/zinc/22/27/70/241222770.db2.gz HUGQYCDMMCYQFW-KRWDZBQOSA-N 1 0 349.450 1.272 50 70 EDIARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cc(Cl)no1 ZINC000218609704 241335417 /nfs/dbraw/zinc/33/54/17/241335417.db2.gz DSIKLOGQDDCRQP-CHWSQXEVSA-N 1 0 345.827 1.113 50 70 EDIARO Cc1ccnn1CCC(=O)N1CCC2(CC1)C[N@@H+](C)CCCN2C ZINC000217733002 241272784 /nfs/dbraw/zinc/27/27/84/241272784.db2.gz RIDKPHPNRWPRFD-UHFFFAOYSA-N 1 0 333.480 1.210 50 70 EDIARO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](CCc1ccccc1)C2 ZINC000218486957 241325853 /nfs/dbraw/zinc/32/58/53/241325853.db2.gz RTAMSSFOLPYHTG-LJQANCHMSA-N 1 0 337.427 1.757 50 70 EDIARO CC(=O)Nc1cccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000217906951 277084658 /nfs/dbraw/zinc/08/46/58/277084658.db2.gz CFPYSSVNADDPAY-SFHVURJKSA-N 1 0 345.443 1.972 50 70 EDIARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000217538487 241257377 /nfs/dbraw/zinc/25/73/77/241257377.db2.gz XMNKERUYFZLRHK-IBGZPJMESA-N 1 0 347.459 1.052 50 70 EDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000218312680 241313814 /nfs/dbraw/zinc/31/38/14/241313814.db2.gz MRDXQHQZDGTPLU-ITDAGMBRSA-N 1 0 348.834 1.593 50 70 EDIARO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCc1ccccc1)C2 ZINC000218571026 241333277 /nfs/dbraw/zinc/33/32/77/241333277.db2.gz LSBYPTIUWXUYAT-SFHVURJKSA-N 1 0 337.427 1.757 50 70 EDIARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000161321704 441984591 /nfs/dbraw/zinc/98/45/91/441984591.db2.gz JMYKFKJAAPOIMX-CYBMUJFWSA-N 1 0 332.404 1.049 50 70 EDIARO C[NH+](C)[C@H]1CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000217044894 536137913 /nfs/dbraw/zinc/13/79/13/536137913.db2.gz HKUYFISTPBWVGF-IBGZPJMESA-N 1 0 347.503 1.924 50 70 EDIARO COCc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)n2ncnc2n1 ZINC000160462201 533241544 /nfs/dbraw/zinc/24/15/44/533241544.db2.gz FKTAQFBGOGJRNX-HNNXBMFYSA-N 1 0 330.436 1.725 50 70 EDIARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC000217351778 285053298 /nfs/dbraw/zinc/05/32/98/285053298.db2.gz GOVNSTBFDXXECW-ZDUSSCGKSA-N 1 0 335.452 1.223 50 70 EDIARO CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000161424017 441998503 /nfs/dbraw/zinc/99/85/03/441998503.db2.gz OANYEKJVGQOYMN-QWRGUYRKSA-N 1 0 333.358 1.544 50 70 EDIARO OC[C@H](O)c1cc2n(n1)CCC[N@H+](CCn1cnc3ccccc31)C2 ZINC000217576383 443057401 /nfs/dbraw/zinc/05/74/01/443057401.db2.gz VOQHYBZXXDECBI-SFHVURJKSA-N 1 0 341.415 1.164 50 70 EDIARO O=C(CCn1cncn1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000217187950 241241458 /nfs/dbraw/zinc/24/14/58/241241458.db2.gz NBHXSHVBBRCPQS-MSOLQXFVSA-N 1 0 339.443 1.791 50 70 EDIARO O[C@@H]1CCOC[C@H]1[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000217398246 241247966 /nfs/dbraw/zinc/24/79/66/241247966.db2.gz JWZHGBVEIAQILM-ZIAGYGMSSA-N 1 0 345.365 1.809 50 70 EDIARO CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cc1OCC ZINC000218023981 241292039 /nfs/dbraw/zinc/29/20/39/241292039.db2.gz CTQYFEJODCVFID-BVPBIZIASA-N 1 0 348.443 1.931 50 70 EDIARO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160221874 225363083 /nfs/dbraw/zinc/36/30/83/225363083.db2.gz MMDGYMGSRZFAMD-AAEUAGOBSA-N 1 0 328.409 1.185 50 70 EDIARO O[C@H]1CN(c2cnc3ccccc3n2)CC[N@@H+](C2CCOCC2)C1 ZINC000217781301 241274989 /nfs/dbraw/zinc/27/49/89/241274989.db2.gz OPCCATZZUYGYKA-OAHLLOKOSA-N 1 0 328.416 1.292 50 70 EDIARO Cn1cnc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)ccc2c1=O ZINC000217748325 279388413 /nfs/dbraw/zinc/38/84/13/279388413.db2.gz SYAYZSVNTVBFEC-GXTWGEPZSA-N 1 0 326.400 1.100 50 70 EDIARO Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000218174610 241304397 /nfs/dbraw/zinc/30/43/97/241304397.db2.gz CFBLSQCIAUDDJF-QGZVFWFLSA-N 1 0 341.459 1.794 50 70 EDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000218263145 241311623 /nfs/dbraw/zinc/31/16/23/241311623.db2.gz LLIMBJSOTCTQME-YYIAUSFCSA-N 1 0 326.400 1.320 50 70 EDIARO Cc1nc2ccccn2c1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218608163 241335093 /nfs/dbraw/zinc/33/50/93/241335093.db2.gz ZEGLUBFOKOSUIW-UHFFFAOYSA-N 1 0 337.431 1.856 50 70 EDIARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000217538562 535976180 /nfs/dbraw/zinc/97/61/80/535976180.db2.gz XMNKERUYFZLRHK-LJQANCHMSA-N 1 0 347.459 1.052 50 70 EDIARO O=C(CC[N@H+]1CCCn2nc(CO)cc2C1)NC1CCCCCC1 ZINC000217653853 241264964 /nfs/dbraw/zinc/26/49/64/241264964.db2.gz WYQNLSVQDLRDBT-UHFFFAOYSA-N 1 0 334.464 1.810 50 70 EDIARO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC000216980855 241231131 /nfs/dbraw/zinc/23/11/31/241231131.db2.gz DZRXSZYMRGLKML-KRWDZBQOSA-N 1 0 326.400 1.796 50 70 EDIARO Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCC[NH+](C)C ZINC000218472178 241323896 /nfs/dbraw/zinc/32/38/96/241323896.db2.gz SQMLRSPFSGDIIQ-IAGOWNOFSA-N 1 0 338.423 1.529 50 70 EDIARO CN(Cc1nc2ccccc2n1C)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000218693672 241339863 /nfs/dbraw/zinc/33/98/63/241339863.db2.gz FDDNDQBMYNDCDI-CQSZACIVSA-N 1 0 329.448 1.168 50 70 EDIARO Cc1cc(C)nc(-n2cc(C(=O)N3CC[NH2+]CC3)c(C(C)C)n2)n1 ZINC000159378238 534129504 /nfs/dbraw/zinc/12/95/04/534129504.db2.gz PQTAJPJVZZTODF-UHFFFAOYSA-N 1 0 328.420 1.448 50 70 EDIARO Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)s1 ZINC000218428583 241321377 /nfs/dbraw/zinc/32/13/77/241321377.db2.gz CAQJBYKYPFPIQS-CHWSQXEVSA-N 1 0 348.490 1.071 50 70 EDIARO COCCN1CC[C@@]2(C[N@H+](CCCCF)CCN2C)CCC1=O ZINC000216847763 485728915 /nfs/dbraw/zinc/72/89/15/485728915.db2.gz BVQVOWFOAYZANG-QGZVFWFLSA-N 1 0 329.460 1.381 50 70 EDIARO O[C@H]1CN(Cc2cccc3cc[nH]c32)CC[N@@H+](C2CCOCC2)C1 ZINC000217152082 241238841 /nfs/dbraw/zinc/23/88/41/241238841.db2.gz IENPPZANJIUVEB-SFHVURJKSA-N 1 0 329.444 1.825 50 70 EDIARO O=C(COc1ccccc1O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000218388129 241320160 /nfs/dbraw/zinc/32/01/60/241320160.db2.gz IZISNECVWKTBDF-UHFFFAOYSA-N 1 0 334.416 1.531 50 70 EDIARO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](CCc1ccccc1)C2 ZINC000218571104 241333413 /nfs/dbraw/zinc/33/34/13/241333413.db2.gz LSBYPTIUWXUYAT-GOSISDBHSA-N 1 0 337.427 1.757 50 70 EDIARO CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000161341532 441986823 /nfs/dbraw/zinc/98/68/23/441986823.db2.gz NGNVBLDREFZBKV-HNNXBMFYSA-N 1 0 345.422 1.933 50 70 EDIARO COc1ccc(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)c(OC)c1 ZINC000218512068 241328506 /nfs/dbraw/zinc/32/85/06/241328506.db2.gz FEFMWTZQZULOHU-UHFFFAOYSA-N 1 0 330.388 1.926 50 70 EDIARO CN(Cc1ccc2nonc2c1)c1cc(C2CC(O)C2)[nH+]c(N)n1 ZINC000218458600 536474140 /nfs/dbraw/zinc/47/41/40/536474140.db2.gz SUOLRMYEEAMNSW-UHFFFAOYSA-N 1 0 326.360 1.470 50 70 EDIARO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccco1)C2 ZINC000218348138 241316097 /nfs/dbraw/zinc/31/60/97/241316097.db2.gz BJZKKGHIEWOATJ-QGZVFWFLSA-N 1 0 341.415 1.740 50 70 EDIARO Cc1nc(C)c(CN2CCn3nc([C@H](O)C[NH+](C)C)cc3C2)s1 ZINC000218697500 241338383 /nfs/dbraw/zinc/33/83/83/241338383.db2.gz QXPOOYHYBZYCAQ-OAHLLOKOSA-N 1 0 335.477 1.567 50 70 EDIARO Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000218717036 241341721 /nfs/dbraw/zinc/34/17/21/241341721.db2.gz DCQVIMOQTFBUMZ-HOTGVXAUSA-N 1 0 348.447 1.101 50 70 EDIARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160941669 206320286 /nfs/dbraw/zinc/32/02/86/206320286.db2.gz FJFNWDCOBAWBHJ-ZNMIVQPWSA-N 1 0 337.464 1.042 50 70 EDIARO CC(=O)N1CCC([N@@H+]2CCN(Cc3ccsc3)C[C@@H](O)C2)CC1 ZINC000217508147 241254264 /nfs/dbraw/zinc/25/42/64/241254264.db2.gz BYWOFGUBGRFLGG-QGZVFWFLSA-N 1 0 337.489 1.238 50 70 EDIARO OCc1cc2n(n1)CCCN(C1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000217152415 241238735 /nfs/dbraw/zinc/23/87/35/241238735.db2.gz BPOYBUPJHJGLRG-UHFFFAOYSA-N 1 0 341.459 1.641 50 70 EDIARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(CCOC)c1=O ZINC000218541317 241331217 /nfs/dbraw/zinc/33/12/17/241331217.db2.gz CHNHNZHNXNXGBF-HNNXBMFYSA-N 1 0 335.448 1.326 50 70 EDIARO C[NH2+]C[C@@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000161362602 441990936 /nfs/dbraw/zinc/99/09/36/441990936.db2.gz PLKBPHHSWIIMKZ-LBPRGKRZSA-N 1 0 330.837 1.324 50 70 EDIARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1cnn2cccnc12 ZINC000217175030 241237663 /nfs/dbraw/zinc/23/76/63/241237663.db2.gz HDTYDBNYVRKPOV-INIZCTEOSA-N 1 0 335.411 1.835 50 70 EDIARO O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000217475830 241252722 /nfs/dbraw/zinc/25/27/22/241252722.db2.gz BZTIQVKOXJXYNA-RUYXUALKSA-N 1 0 346.471 1.600 50 70 EDIARO CC1CC[NH+](Cc2ccc(C(=O)N(C)C[C@@H]3COCCO3)o2)CC1 ZINC000217812660 241276487 /nfs/dbraw/zinc/27/64/87/241276487.db2.gz WWVHVRCCVYNFAN-MRXNPFEDSA-N 1 0 336.432 1.999 50 70 EDIARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1nccn1C1CC1)C2 ZINC000218328539 241316251 /nfs/dbraw/zinc/31/62/51/241316251.db2.gz DSNWZESKRJFQKV-QGZVFWFLSA-N 1 0 344.463 1.415 50 70 EDIARO C[NH+]1CCC(CNC(=O)c2ccc(=O)[nH]c2)(c2ccccc2)CC1 ZINC000216966972 241230001 /nfs/dbraw/zinc/23/00/01/241230001.db2.gz HWFARLBAZZDYCL-UHFFFAOYSA-N 1 0 325.412 1.768 50 70 EDIARO Cc1c(C)c(C)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(C)c1C ZINC000161479169 442002983 /nfs/dbraw/zinc/00/29/83/442002983.db2.gz QYBHQKPXYVXJGF-KRWDZBQOSA-N 1 0 342.505 1.820 50 70 EDIARO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217812898 443057480 /nfs/dbraw/zinc/05/74/80/443057480.db2.gz BSUPASSHSJJZIZ-OASPWFOLSA-N 1 0 327.222 1.219 50 70 EDIARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc(Cl)s1)CC2 ZINC000217706227 241271200 /nfs/dbraw/zinc/27/12/00/241271200.db2.gz FYNCYDVKDFIMPN-UHFFFAOYSA-N 1 0 341.864 1.828 50 70 EDIARO Cc1ncsc1CCN(C)C(=O)CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000218524373 241328925 /nfs/dbraw/zinc/32/89/25/241328925.db2.gz NLYXWVRQOKHOSU-CQSZACIVSA-N 1 0 338.521 1.869 50 70 EDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1c[nH]nc1-c1ccccc1F ZINC000218169449 241303350 /nfs/dbraw/zinc/30/33/50/241303350.db2.gz RREHWJVWAYZSIZ-GLZXHMCRSA-N 1 0 344.390 1.663 50 70 EDIARO OCc1cc2n(n1)CCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000217579645 241261311 /nfs/dbraw/zinc/26/13/11/241261311.db2.gz ZOCZWSCZMQLECF-UHFFFAOYSA-N 1 0 340.471 1.898 50 70 EDIARO Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)no1 ZINC000218393916 241319027 /nfs/dbraw/zinc/31/90/27/241319027.db2.gz OIAWMVMERAOEMZ-AWEZNQCLSA-N 1 0 327.388 1.430 50 70 EDIARO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)n1 ZINC000159390509 206242828 /nfs/dbraw/zinc/24/28/28/206242828.db2.gz FPKJXZZWZMDKFJ-ZDUSSCGKSA-N 1 0 327.450 1.389 50 70 EDIARO O=C(NCCc1noc(CO)n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000217620770 443057441 /nfs/dbraw/zinc/05/74/41/443057441.db2.gz KIBPLUKCNGXKJE-OAHLLOKOSA-N 1 0 344.415 1.275 50 70 EDIARO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160221675 441866751 /nfs/dbraw/zinc/86/67/51/441866751.db2.gz MMDGYMGSRZFAMD-WCQYABFASA-N 1 0 328.409 1.185 50 70 EDIARO OCc1cc2n(n1)CCCN(C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000216957430 241228070 /nfs/dbraw/zinc/22/80/70/241228070.db2.gz FHINTOKVFZWAQW-UHFFFAOYSA-N 1 0 330.432 1.839 50 70 EDIARO Cc1nc(CCN(C)C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000218424648 241322145 /nfs/dbraw/zinc/32/21/45/241322145.db2.gz QYBGYOIRVSFKJF-INIZCTEOSA-N 1 0 328.416 1.868 50 70 EDIARO Cc1c[nH+]ccc1NCCNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000218033287 241291963 /nfs/dbraw/zinc/29/19/63/241291963.db2.gz YARKWRHGODVFHL-UHFFFAOYSA-N 1 0 337.383 1.479 50 70 EDIARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000161264210 441978262 /nfs/dbraw/zinc/97/82/62/441978262.db2.gz XSNLCWACBSDEKA-LBPRGKRZSA-N 1 0 330.475 1.425 50 70 EDIARO NC(=O)c1ccc(-c2nc3c([nH]2)CN([C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000218128770 241300074 /nfs/dbraw/zinc/30/00/74/241300074.db2.gz NXESCDQALBXOPS-AWEZNQCLSA-N 1 0 325.416 1.286 50 70 EDIARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC000217351863 285056871 /nfs/dbraw/zinc/05/68/71/285056871.db2.gz GOVNSTBFDXXECW-CYBMUJFWSA-N 1 0 335.452 1.223 50 70 EDIARO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCn1cnc3ccccc31)C2 ZINC000217576295 443057537 /nfs/dbraw/zinc/05/75/37/443057537.db2.gz VOQHYBZXXDECBI-GOSISDBHSA-N 1 0 341.415 1.164 50 70 EDIARO C[NH+]1CCN(c2ccc(C(=O)NCCN3CCCCC3=O)cc2)CC1 ZINC000218441324 241322421 /nfs/dbraw/zinc/32/24/21/241322421.db2.gz IWOWVUZVXRQKEC-UHFFFAOYSA-N 1 0 344.459 1.181 50 70 EDIARO CN(C)c1nc(NCc2cnn3cccnc23)cc(C2CC([NH3+])C2)n1 ZINC000218055005 241293220 /nfs/dbraw/zinc/29/32/20/241293220.db2.gz CXFIYXYLQWIYDW-UHFFFAOYSA-N 1 0 338.419 1.402 50 70 EDIARO COc1ccccc1[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1noc(C)n1 ZINC000160112561 533019584 /nfs/dbraw/zinc/01/95/84/533019584.db2.gz OHULSAUSVKRMMH-DOMZBBRYSA-N 1 0 330.388 1.592 50 70 EDIARO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217812751 524687230 /nfs/dbraw/zinc/68/72/30/524687230.db2.gz BSUPASSHSJJZIZ-WQAKAFBOSA-N 1 0 327.222 1.219 50 70 EDIARO COc1ccc([C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C2CC(O)C2)cn1 ZINC000218634352 241334830 /nfs/dbraw/zinc/33/48/30/241334830.db2.gz GCFZEAFDZZTGMO-VMBOVVBDSA-N 1 0 347.459 1.893 50 70 EDIARO C[NH+](C)[C@H]1CCN(CC(=O)NCCCc2nc3ccccc3o2)C1 ZINC000218525964 241328059 /nfs/dbraw/zinc/32/80/59/241328059.db2.gz RYPUMLPYLKBJGF-AWEZNQCLSA-N 1 0 330.432 1.513 50 70 EDIARO COC1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000217789021 443057564 /nfs/dbraw/zinc/05/75/64/443057564.db2.gz GYVSOMZIZBQCIT-UHFFFAOYSA-N 1 0 338.473 1.951 50 70 EDIARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3[nH]nc(N)c3Cl)CC2)C[C@H](C)O1 ZINC000216973807 241231258 /nfs/dbraw/zinc/23/12/58/241231258.db2.gz XKUGKGCSWRUOGT-AOOOYVTPSA-N 1 0 341.843 1.359 50 70 EDIARO NC(=O)c1ccc(-c2nc3c([nH]2)CN([C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000218128685 241300156 /nfs/dbraw/zinc/30/01/56/241300156.db2.gz NXESCDQALBXOPS-CQSZACIVSA-N 1 0 325.416 1.286 50 70 EDIARO CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CCC([NH3+])CC1 ZINC000161505359 442005486 /nfs/dbraw/zinc/00/54/86/442005486.db2.gz BBTNNKZNLVIESU-UHFFFAOYSA-N 1 0 334.395 1.697 50 70 EDIARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)[nH]1 ZINC000217696008 241270406 /nfs/dbraw/zinc/27/04/06/241270406.db2.gz MTYSXQISVQDYAJ-CYBMUJFWSA-N 1 0 348.476 1.786 50 70 EDIARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1cnn2cccnc12 ZINC000217175021 241238033 /nfs/dbraw/zinc/23/80/33/241238033.db2.gz HDTYDBNYVRKPOV-MRXNPFEDSA-N 1 0 335.411 1.835 50 70 EDIARO Cc1cc2c(cc1C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1[NH+](C)C)OCCO2 ZINC000218291236 241312450 /nfs/dbraw/zinc/31/24/50/241312450.db2.gz YYURHJUWCGFZGT-GLZXHMCRSA-N 1 0 332.400 1.214 50 70 EDIARO Cc1nc(C)c(CN2CCn3nc([C@@H](O)C[NH+](C)C)cc3C2)s1 ZINC000218697435 241338841 /nfs/dbraw/zinc/33/88/41/241338841.db2.gz QXPOOYHYBZYCAQ-HNNXBMFYSA-N 1 0 335.477 1.567 50 70 EDIARO Cc1ccn2cc(CNC(=O)CC[C@H](C)[NH+]3CCN(C)CC3)nc2c1 ZINC000218589954 241333317 /nfs/dbraw/zinc/33/33/17/241333317.db2.gz RTMLEWZMYGXAOP-INIZCTEOSA-N 1 0 343.475 1.675 50 70 EDIARO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160221777 225362962 /nfs/dbraw/zinc/36/29/62/225362962.db2.gz MMDGYMGSRZFAMD-DGCLKSJQSA-N 1 0 328.409 1.185 50 70 EDIARO Cc1sc(=O)n(CC(=O)NCC[NH2+]C2CCCCCC2)c1C ZINC000159704972 534602422 /nfs/dbraw/zinc/60/24/22/534602422.db2.gz CEZXXSQYTZKJHC-UHFFFAOYSA-N 1 0 325.478 1.955 50 70 EDIARO O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160402658 441877313 /nfs/dbraw/zinc/87/73/13/441877313.db2.gz FGUIPBMMJLGVFM-QQOXCAACSA-N 1 0 330.428 1.598 50 70 EDIARO O=C(NCC[NH2+]C1CCCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000159713627 225263866 /nfs/dbraw/zinc/26/38/66/225263866.db2.gz CQHFSOUSAZAGDM-UHFFFAOYSA-N 1 0 328.416 1.965 50 70 EDIARO CC(=O)Nc1cccc(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000217907011 277084620 /nfs/dbraw/zinc/08/46/20/277084620.db2.gz CFPYSSVNADDPAY-GOSISDBHSA-N 1 0 345.443 1.972 50 70 EDIARO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCc1ccccc1)C2 ZINC000218486879 241326688 /nfs/dbraw/zinc/32/66/88/241326688.db2.gz RTAMSSFOLPYHTG-IBGZPJMESA-N 1 0 337.427 1.757 50 70 EDIARO CCc1nccc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)n1 ZINC000218520802 241327780 /nfs/dbraw/zinc/32/77/80/241327780.db2.gz SSWHVYDUXPKAEM-QGZVFWFLSA-N 1 0 344.463 1.236 50 70 EDIARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@](O)(CO)CC1 ZINC000217961239 241288718 /nfs/dbraw/zinc/28/87/18/241288718.db2.gz YAIJGRBDPZWRHP-HXUWFJFHSA-N 1 0 346.471 1.602 50 70 EDIARO Cn1cnnc1CCNC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000218569207 241332978 /nfs/dbraw/zinc/33/29/78/241332978.db2.gz ZOMQNFXHCYHPJT-UHFFFAOYSA-N 1 0 327.432 1.137 50 70 EDIARO CC1(C)C[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)C(C)(C)O1 ZINC000159995909 529138939 /nfs/dbraw/zinc/13/89/39/529138939.db2.gz UCDUJGIKIKZQHI-CQSZACIVSA-N 1 0 332.510 1.431 50 70 EDIARO Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000218174530 241303373 /nfs/dbraw/zinc/30/33/73/241303373.db2.gz CFBLSQCIAUDDJF-KRWDZBQOSA-N 1 0 341.459 1.794 50 70 EDIARO Cc1cnc2c(Cl)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)nn2c1 ZINC000218366023 241316928 /nfs/dbraw/zinc/31/69/28/241316928.db2.gz BKTJPFHYSJCUBK-QEGRKFQGSA-N 1 0 349.822 1.138 50 70 EDIARO C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCCC1 ZINC000159399895 533924951 /nfs/dbraw/zinc/92/49/51/533924951.db2.gz XWXXNOBHLSKYSZ-KRWDZBQOSA-N 1 0 345.491 1.641 50 70 EDIARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000161321576 290695457 /nfs/dbraw/zinc/69/54/57/290695457.db2.gz JMYKFKJAAPOIMX-ZDUSSCGKSA-N 1 0 332.404 1.049 50 70 EDIARO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccco1)C2 ZINC000218699247 241338662 /nfs/dbraw/zinc/33/86/62/241338662.db2.gz ZKMDWDJTMATNMP-GOSISDBHSA-N 1 0 341.415 1.740 50 70 EDIARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000218711767 241340447 /nfs/dbraw/zinc/34/04/47/241340447.db2.gz AJQJIWLUGHGWHZ-GOSISDBHSA-N 1 0 341.459 1.167 50 70 EDIARO OCc1cc2n(n1)CCN(CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000217603523 241263618 /nfs/dbraw/zinc/26/36/18/241263618.db2.gz DINLXLWJBJAYMW-UHFFFAOYSA-N 1 0 341.459 1.013 50 70 EDIARO C[N@@H+]1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C[C@@H]1CO ZINC000216964074 241229238 /nfs/dbraw/zinc/22/92/38/241229238.db2.gz UJSNTWGSNYZAMI-MRXNPFEDSA-N 1 0 349.475 1.088 50 70 EDIARO CCOc1cc(CN2CC[N@H+](C)[C@@H](CO)C2)c(Cl)cc1OC ZINC000217134681 241235141 /nfs/dbraw/zinc/23/51/41/241235141.db2.gz JUDDLRVKSIXXRE-CYBMUJFWSA-N 1 0 328.840 1.856 50 70 EDIARO CNc1cc(C)nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)n1 ZINC000217426030 241249242 /nfs/dbraw/zinc/24/92/42/241249242.db2.gz MLWKDSVPCWSWFD-MRXNPFEDSA-N 1 0 327.432 1.510 50 70 EDIARO COc1cc(Cl)cc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)c1OC ZINC000216920174 241224115 /nfs/dbraw/zinc/22/41/15/241224115.db2.gz HUQXBGAUQOLQDS-OAHLLOKOSA-N 1 0 339.867 1.789 50 70 EDIARO COCc1nc([C@H]2C[C@H]([NH2+]C3Cc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000218137029 241299748 /nfs/dbraw/zinc/29/97/48/241299748.db2.gz VYEXHTXKXIDQSV-FZNQNYSPSA-N 1 0 325.412 1.919 50 70 EDIARO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccco1)C2 ZINC000218699169 241339855 /nfs/dbraw/zinc/33/98/55/241339855.db2.gz ZKMDWDJTMATNMP-SFHVURJKSA-N 1 0 341.415 1.740 50 70 EDIARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(n2cnnc2)CC1 ZINC000217915838 276254361 /nfs/dbraw/zinc/25/43/61/276254361.db2.gz LYDGKTRXPNZIIG-SFHVURJKSA-N 1 0 339.443 1.888 50 70 EDIARO CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000161341433 441987938 /nfs/dbraw/zinc/98/79/38/441987938.db2.gz NGNVBLDREFZBKV-OAHLLOKOSA-N 1 0 345.422 1.933 50 70 EDIARO O=C(N[C@@H]1CC[NH2+]C1)c1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000218222580 241307795 /nfs/dbraw/zinc/30/77/95/241307795.db2.gz BDRZIUQENRDKIT-OAHLLOKOSA-N 1 0 344.436 1.752 50 70 EDIARO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccco1)C2 ZINC000218348061 241315725 /nfs/dbraw/zinc/31/57/25/241315725.db2.gz BJZKKGHIEWOATJ-KRWDZBQOSA-N 1 0 341.415 1.740 50 70 EDIARO O=C(CSCC[NH+]1CCCC1)NCc1nc(-c2cccnc2)no1 ZINC000218760064 241343991 /nfs/dbraw/zinc/34/39/91/241343991.db2.gz NHWIAXLCAFLNFT-UHFFFAOYSA-N 1 0 347.444 1.577 50 70 EDIARO CSc1ccccc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000217877585 241281297 /nfs/dbraw/zinc/28/12/97/241281297.db2.gz VWSJWILFBKQIGY-UHFFFAOYSA-N 1 0 347.484 1.835 50 70 EDIARO Cc1c(C(=O)N2CC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000159375875 206242365 /nfs/dbraw/zinc/24/23/65/206242365.db2.gz BVAYXTYEJDTUCY-UHFFFAOYSA-N 1 0 349.232 1.989 50 70 EDIARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2 ZINC000217662473 241268437 /nfs/dbraw/zinc/26/84/37/241268437.db2.gz YNBKDRNJIDCZLE-DZFIZOCASA-N 1 0 343.471 1.935 50 70 EDIARO O=C(CCc1nc2ccccc2[nH]1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000218614615 241335105 /nfs/dbraw/zinc/33/51/05/241335105.db2.gz RXNCCHBXVDFSMF-IRXDYDNUSA-N 1 0 342.443 1.865 50 70 EDIARO NC(=O)c1ccc(-c2nc3c([nH]2)C[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000218739638 241342229 /nfs/dbraw/zinc/34/22/29/241342229.db2.gz ZNQMEXZFGGKAFA-LBPRGKRZSA-N 1 0 326.400 1.570 50 70 EDIARO COc1ccc([C@H](O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000218401702 241319450 /nfs/dbraw/zinc/31/94/50/241319450.db2.gz VZWSVXOFJPRKAX-KRWDZBQOSA-N 1 0 334.416 1.052 50 70 EDIARO Cc1nn(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000218298237 241312220 /nfs/dbraw/zinc/31/22/20/241312220.db2.gz BEHNEOWBKDRWPG-AWEZNQCLSA-N 1 0 340.855 1.416 50 70 EDIARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@@](O)(CO)CC1 ZINC000217961133 241287578 /nfs/dbraw/zinc/28/75/78/241287578.db2.gz YAIJGRBDPZWRHP-FQEVSTJZSA-N 1 0 346.471 1.602 50 70 EDIARO Cn1c(CN2CCN(Cc3ccccc3)C2=O)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000218759433 241343051 /nfs/dbraw/zinc/34/30/51/241343051.db2.gz PQQIUNNNBMVKIN-SHTZXODSSA-N 1 0 340.431 1.458 50 70 EDIARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(n2cnnc2)CC1 ZINC000217915762 443057231 /nfs/dbraw/zinc/05/72/31/443057231.db2.gz LYDGKTRXPNZIIG-GOSISDBHSA-N 1 0 339.443 1.888 50 70 EDIARO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1cccc2cccnc21 ZINC000160213849 533747917 /nfs/dbraw/zinc/74/79/17/533747917.db2.gz XVTFTUFIXHGBGE-AWEZNQCLSA-N 1 0 336.399 1.687 50 70 EDIARO O=C(CCC[NH+]1Cc2ccccc2C1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000217058229 241235471 /nfs/dbraw/zinc/23/54/71/241235471.db2.gz YKYFJUVMUPWGKB-SEXKYXSUSA-N 1 0 344.455 1.373 50 70 EDIARO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1-c1cccc2cccnc21 ZINC000160213705 225362197 /nfs/dbraw/zinc/36/21/97/225362197.db2.gz XVTFTUFIXHGBGE-CQSZACIVSA-N 1 0 336.399 1.687 50 70 EDIARO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC000216980839 241229167 /nfs/dbraw/zinc/22/91/67/241229167.db2.gz DZRXSZYMRGLKML-QGZVFWFLSA-N 1 0 326.400 1.796 50 70 EDIARO Cc1ncsc1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000218470554 241324829 /nfs/dbraw/zinc/32/48/29/241324829.db2.gz FJPDEYJVZAQYKT-VJUNAUMWSA-N 1 0 335.473 1.752 50 70 EDIARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159648885 225254992 /nfs/dbraw/zinc/25/49/92/225254992.db2.gz GUDIZXWKZUAAOM-UHFFFAOYSA-N 1 0 332.404 1.867 50 70 EDIARO