smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000169781504 1032646764 /nfs/dbraw/zinc/64/67/64/1032646764.db2.gz OJOUWIQOPXJXGT-HNNXBMFYSA-N 1 1 338.854 3.560 50 0 EHAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289385838 1018374181 /nfs/dbraw/zinc/37/41/81/1018374181.db2.gz QLKPGMKLQBJIKP-GDBMZVCRSA-N 1 1 334.423 3.671 50 0 EHAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289385838 1018374188 /nfs/dbraw/zinc/37/41/88/1018374188.db2.gz QLKPGMKLQBJIKP-GDBMZVCRSA-N 1 1 334.423 3.671 50 0 EHAAMO CC(C)C[N@@H+](Cc1cccnc1)C1CN(C(=O)CC2CCCCC2)C1 ZINC000257182519 1038436380 /nfs/dbraw/zinc/43/63/80/1038436380.db2.gz GPNUZEDXUZMJGU-UHFFFAOYSA-N 1 1 343.515 3.721 50 0 EHAAMO CCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cn1 ZINC000348433559 1040932748 /nfs/dbraw/zinc/93/27/48/1040932748.db2.gz FFHOEIJELDPRNJ-OXQOHEQNSA-N 1 1 340.471 3.704 50 0 EHAAMO CCc1nc(NC[C@H](c2ccc(Cl)cc2)n2ccnc2)cc(C)[nH+]1 ZINC000888094706 1043206030 /nfs/dbraw/zinc/20/60/30/1043206030.db2.gz ARGLJHAFFGMPHR-MRXNPFEDSA-N 1 1 341.846 3.899 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000253606379 1128622270 /nfs/dbraw/zinc/62/22/70/1128622270.db2.gz JZOOUGCSRVHNGU-SQNIBIBYSA-N 1 1 341.430 3.552 50 0 EHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)N[C@@H](C)CC)Cc2ccccc2O1 ZINC000011870246 1129087541 /nfs/dbraw/zinc/08/75/41/1129087541.db2.gz MPTABDQFUILGFO-FUHWJXTLSA-N 1 1 332.488 3.745 50 0 EHAAMO Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)[nH]c2ccccc12 ZINC000011712644 1129344022 /nfs/dbraw/zinc/34/40/22/1129344022.db2.gz XNAKHZFSUOIVAF-INIZCTEOSA-N 1 1 339.483 3.747 50 0 EHAAMO COCc1ncc(C)n1C[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000575548109 1131572243 /nfs/dbraw/zinc/57/22/43/1131572243.db2.gz GVCLURYZZKGUQU-IBGZPJMESA-N 1 1 327.472 3.559 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)CCc2ccccc2)n1C1CCCC1 ZINC000581815306 1132372419 /nfs/dbraw/zinc/37/24/19/1132372419.db2.gz DUAHNVACJGPGCM-UHFFFAOYSA-N 1 1 325.456 3.598 50 0 EHAAMO CCSc1ncc(C[N@@H+](Cc2ccccc2C)[C@H](C)COC)cn1 ZINC000952868213 1137483011 /nfs/dbraw/zinc/48/30/11/1137483011.db2.gz FMKOPMZNFFXUDA-MRXNPFEDSA-N 1 1 345.512 3.934 50 0 EHAAMO CCCc1cc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)on1 ZINC000952965428 1137484025 /nfs/dbraw/zinc/48/40/25/1137484025.db2.gz HDHAPRZCBOHZFB-UHFFFAOYSA-N 1 1 337.423 3.891 50 0 EHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000097696166 219048470 /nfs/dbraw/zinc/04/84/70/219048470.db2.gz YSXHHLLMLXLHEC-KRWDZBQOSA-N 1 1 347.466 3.863 50 0 EHAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007417826 201720329 /nfs/dbraw/zinc/72/03/29/201720329.db2.gz OSCIOEJWYPZQAP-MRXNPFEDSA-N 1 1 336.435 3.812 50 0 EHAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007417826 201720332 /nfs/dbraw/zinc/72/03/32/201720332.db2.gz OSCIOEJWYPZQAP-MRXNPFEDSA-N 1 1 336.435 3.812 50 0 EHAAMO CSc1ccc2cc(C[N@@H+](C)[C@@H](C)c3ccncc3)c(=O)[nH]c2c1 ZINC000067491129 215154010 /nfs/dbraw/zinc/15/40/10/215154010.db2.gz HUWPABPVUYRKPH-ZDUSSCGKSA-N 1 1 339.464 3.838 50 0 EHAAMO C[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000020534197 202048132 /nfs/dbraw/zinc/04/81/32/202048132.db2.gz DLIHRQFBHYDMOC-IBGZPJMESA-N 1 1 342.870 3.636 50 0 EHAAMO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)C[C@H](O)c1ccccc1 ZINC000020909903 202058727 /nfs/dbraw/zinc/05/87/27/202058727.db2.gz PNWDSAXFAMNTOU-INIZCTEOSA-N 1 1 343.814 3.555 50 0 EHAAMO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)C[C@H](O)c1ccccc1 ZINC000020909903 202058730 /nfs/dbraw/zinc/05/87/30/202058730.db2.gz PNWDSAXFAMNTOU-INIZCTEOSA-N 1 1 343.814 3.555 50 0 EHAAMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1OC ZINC000022022982 202077392 /nfs/dbraw/zinc/07/73/92/202077392.db2.gz ZQUZIELFFRIYRS-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1OC ZINC000022022982 202077394 /nfs/dbraw/zinc/07/73/94/202077394.db2.gz ZQUZIELFFRIYRS-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO COC(=O)c1ccc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000023360322 202103075 /nfs/dbraw/zinc/10/30/75/202103075.db2.gz YJOHCRPXMUWLEK-HXUWFJFHSA-N 1 1 344.499 3.608 50 0 EHAAMO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC3CCCCC3)C2)cc1 ZINC000023360322 202103078 /nfs/dbraw/zinc/10/30/78/202103078.db2.gz YJOHCRPXMUWLEK-HXUWFJFHSA-N 1 1 344.499 3.608 50 0 EHAAMO CCc1cccc2c(C(=O)[C@@H]([NH2+]CCN(C)C)c3ccccc3)c[nH]c21 ZINC000023466401 202104522 /nfs/dbraw/zinc/10/45/22/202104522.db2.gz PDFWGKIYIYKUMC-NRFANRHFSA-N 1 1 349.478 3.806 50 0 EHAAMO Cc1nc2ccccc2nc1NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000026729577 202148007 /nfs/dbraw/zinc/14/80/07/202148007.db2.gz BDCZSUSFTFTRMJ-OAHLLOKOSA-N 1 1 332.451 3.797 50 0 EHAAMO Cc1ccsc1C[N@@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000032836226 202238061 /nfs/dbraw/zinc/23/80/61/202238061.db2.gz FNMMIFDOLFVUGM-UHFFFAOYSA-N 1 1 342.464 3.565 50 0 EHAAMO CC[N@@H+](CC(=O)N1CCc2ccccc21)[C@H](C)c1cccc(OC)c1 ZINC000032927272 202242961 /nfs/dbraw/zinc/24/29/61/202242961.db2.gz UNGZZUGREJPEKE-MRXNPFEDSA-N 1 1 338.451 3.667 50 0 EHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000069919268 202292983 /nfs/dbraw/zinc/29/29/83/202292983.db2.gz HNGQGSLMTPGVPK-AWEZNQCLSA-N 1 1 329.469 3.862 50 0 EHAAMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036095500 202314647 /nfs/dbraw/zinc/31/46/47/202314647.db2.gz SIZGBYKHBJAINL-IBGZPJMESA-N 1 1 331.431 3.786 50 0 EHAAMO CCC[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccccc1C ZINC000036099744 202315121 /nfs/dbraw/zinc/31/51/21/202315121.db2.gz STWKMOINMIFHTQ-GOSISDBHSA-N 1 1 349.421 3.925 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000071870739 202350331 /nfs/dbraw/zinc/35/03/31/202350331.db2.gz RYGFEGZMGJPBBS-OAHLLOKOSA-N 1 1 340.402 3.543 50 0 EHAAMO Clc1ccc2cccnc2c1C[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071876377 202353112 /nfs/dbraw/zinc/35/31/12/202353112.db2.gz ITRWCULNRLTCFV-HNNXBMFYSA-N 1 1 341.846 3.534 50 0 EHAAMO Fc1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000072600084 202364756 /nfs/dbraw/zinc/36/47/56/202364756.db2.gz ASECXCZUDULLEA-OAHLLOKOSA-N 1 1 338.386 3.562 50 0 EHAAMO Fc1ccccc1-c1nnc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000072600084 202364759 /nfs/dbraw/zinc/36/47/59/202364759.db2.gz ASECXCZUDULLEA-OAHLLOKOSA-N 1 1 338.386 3.562 50 0 EHAAMO CCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000229687300 201044237 /nfs/dbraw/zinc/04/42/37/201044237.db2.gz LZVFHDBCMJLOFT-CMKODMSKSA-N 1 1 346.515 3.732 50 0 EHAAMO COc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000330031626 201363683 /nfs/dbraw/zinc/36/36/83/201363683.db2.gz BHGUFXXUZKNTMY-ZDUSSCGKSA-N 1 1 346.862 3.655 50 0 EHAAMO COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)c(C)c1C ZINC000215379659 241121738 /nfs/dbraw/zinc/12/17/38/241121738.db2.gz NBAOWDYRDHUVPX-UHFFFAOYSA-N 1 1 348.450 3.655 50 0 EHAAMO COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)c(C)c1C ZINC000215379659 241121744 /nfs/dbraw/zinc/12/17/44/241121744.db2.gz NBAOWDYRDHUVPX-UHFFFAOYSA-N 1 1 348.450 3.655 50 0 EHAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000243893040 243029021 /nfs/dbraw/zinc/02/90/21/243029021.db2.gz ANUKZPKDVJPUBV-LJQANCHMSA-N 1 1 339.414 3.805 50 0 EHAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000006667531 201690001 /nfs/dbraw/zinc/69/00/01/201690001.db2.gz ROKHCLFGINVHSI-VQHVLOKHSA-N 1 1 338.451 3.539 50 0 EHAAMO Cc1cnc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cn1 ZINC000069440423 203000569 /nfs/dbraw/zinc/00/05/69/203000569.db2.gz QKSHDPDPAMJEIY-UHFFFAOYSA-N 1 1 336.414 3.564 50 0 EHAAMO Cc1cnc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cn1 ZINC000069440423 203000571 /nfs/dbraw/zinc/00/05/71/203000571.db2.gz QKSHDPDPAMJEIY-UHFFFAOYSA-N 1 1 336.414 3.564 50 0 EHAAMO Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)nc2ccccc12 ZINC000069654878 203032820 /nfs/dbraw/zinc/03/28/20/203032820.db2.gz JWNKVSVTEQSOLD-UHFFFAOYSA-N 1 1 347.462 3.988 50 0 EHAAMO CCCOCC[N@@H+]1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747344 203106126 /nfs/dbraw/zinc/10/61/26/203106126.db2.gz FKHWMZMDFUIZED-FQEVSTJZSA-N 1 1 329.440 3.648 50 0 EHAAMO CCCOCC[N@H+]1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747344 203106128 /nfs/dbraw/zinc/10/61/28/203106128.db2.gz FKHWMZMDFUIZED-FQEVSTJZSA-N 1 1 329.440 3.648 50 0 EHAAMO CC[C@@H]1C[N@@H+](Cc2cccs2)CCC(=O)N1Cc1ccccc1 ZINC000071752102 203107479 /nfs/dbraw/zinc/10/74/79/203107479.db2.gz KUGMJJSTCGCYKW-QGZVFWFLSA-N 1 1 328.481 3.761 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000072131760 203166514 /nfs/dbraw/zinc/16/65/14/203166514.db2.gz GRKDTLKLBFFUDS-MRXNPFEDSA-N 1 1 328.504 3.583 50 0 EHAAMO CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)s1 ZINC000072137268 203168265 /nfs/dbraw/zinc/16/82/65/203168265.db2.gz NHMIGMNKVHUKJW-MRXNPFEDSA-N 1 1 345.512 3.902 50 0 EHAAMO CC(C)c1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000071922271 203153443 /nfs/dbraw/zinc/15/34/43/203153443.db2.gz HHSLVLYYORUQON-QGZVFWFLSA-N 1 1 345.487 3.529 50 0 EHAAMO CC(C)Cn1cncc1C[N@@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000072149003 203171218 /nfs/dbraw/zinc/17/12/18/203171218.db2.gz RHORGKVOBDTSCT-MRXNPFEDSA-N 1 1 348.441 3.894 50 0 EHAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000072149003 203171223 /nfs/dbraw/zinc/17/12/23/203171223.db2.gz RHORGKVOBDTSCT-MRXNPFEDSA-N 1 1 348.441 3.894 50 0 EHAAMO CN(Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072150318 203172362 /nfs/dbraw/zinc/17/23/62/203172362.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 1 1 344.528 3.835 50 0 EHAAMO Fc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072152852 203172384 /nfs/dbraw/zinc/17/23/84/203172384.db2.gz CRWXRLQFWOOCAZ-INIZCTEOSA-N 1 1 340.870 3.556 50 0 EHAAMO Fc1c(Cl)cccc1CN1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000072152852 203172392 /nfs/dbraw/zinc/17/23/92/203172392.db2.gz CRWXRLQFWOOCAZ-INIZCTEOSA-N 1 1 340.870 3.556 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000072171474 203180985 /nfs/dbraw/zinc/18/09/85/203180985.db2.gz JEMIEDLDDSJQPV-MRXNPFEDSA-N 1 1 331.435 3.642 50 0 EHAAMO CCc1[nH+]ccn1CCNc1cc(-c2ccccc2)nc2cc(C)nn21 ZINC000072438497 203224027 /nfs/dbraw/zinc/22/40/27/203224027.db2.gz GDCOVPZWMOIFAR-UHFFFAOYSA-N 1 1 346.438 3.576 50 0 EHAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000077299945 203378236 /nfs/dbraw/zinc/37/82/36/203378236.db2.gz MVGMGDGBANONAM-HXUWFJFHSA-N 1 1 349.482 3.573 50 0 EHAAMO c1csc(C[N@H+]2CCCN(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000077376832 203384041 /nfs/dbraw/zinc/38/40/41/203384041.db2.gz JTISYYVTOMMNSN-UHFFFAOYSA-N 1 1 340.452 3.510 50 0 EHAAMO Cc1nc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407799 203387167 /nfs/dbraw/zinc/38/71/67/203387167.db2.gz LTOOOZRGMNYNQD-GOSISDBHSA-N 1 1 334.467 3.601 50 0 EHAAMO Cc1[nH+]c(CN(C)C[C@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407799 203387169 /nfs/dbraw/zinc/38/71/69/203387169.db2.gz LTOOOZRGMNYNQD-GOSISDBHSA-N 1 1 334.467 3.601 50 0 EHAAMO Cc1nc(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407798 203387280 /nfs/dbraw/zinc/38/72/80/203387280.db2.gz LTOOOZRGMNYNQD-SFHVURJKSA-N 1 1 334.467 3.601 50 0 EHAAMO Cc1[nH+]c(CN(C)C[C@@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407798 203387283 /nfs/dbraw/zinc/38/72/83/203387283.db2.gz LTOOOZRGMNYNQD-SFHVURJKSA-N 1 1 334.467 3.601 50 0 EHAAMO Cc1nc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c2ccccn12 ZINC000106944561 204221587 /nfs/dbraw/zinc/22/15/87/204221587.db2.gz OTSJHUJQJPPEJO-OAQYLSRUSA-N 1 1 340.515 3.585 50 0 EHAAMO Cc1nc(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c2ccccn12 ZINC000106944561 204221592 /nfs/dbraw/zinc/22/15/92/204221592.db2.gz OTSJHUJQJPPEJO-OAQYLSRUSA-N 1 1 340.515 3.585 50 0 EHAAMO Cc1noc([C@@H](N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005502 206541535 /nfs/dbraw/zinc/54/15/35/206541535.db2.gz BDXDAQLGZZDSMX-UGSOOPFHSA-N 1 1 339.443 3.920 50 0 EHAAMO C[N@@H+]1CC[C@H](CNCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447475 218391947 /nfs/dbraw/zinc/39/19/47/218391947.db2.gz GCNBJVGWDQVHRK-WBMJQRKESA-N 1 1 339.867 3.718 50 0 EHAAMO C[N@H+]1CC[C@H](CNCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447475 218391950 /nfs/dbraw/zinc/39/19/50/218391950.db2.gz GCNBJVGWDQVHRK-WBMJQRKESA-N 1 1 339.867 3.718 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000012772173 207245511 /nfs/dbraw/zinc/24/55/11/207245511.db2.gz MVQIELKCOFXJMV-SFHVURJKSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000012772173 207245515 /nfs/dbraw/zinc/24/55/15/207245515.db2.gz MVQIELKCOFXJMV-SFHVURJKSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013075254 207280739 /nfs/dbraw/zinc/28/07/39/207280739.db2.gz UBJLMRCZUKQUQY-UHFFFAOYSA-N 1 1 336.794 3.558 50 0 EHAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013075254 207280742 /nfs/dbraw/zinc/28/07/42/207280742.db2.gz UBJLMRCZUKQUQY-UHFFFAOYSA-N 1 1 336.794 3.558 50 0 EHAAMO CCCSCC(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299782940 258091129 /nfs/dbraw/zinc/09/11/29/258091129.db2.gz WFZMQIFDAVJFRS-QGZVFWFLSA-N 1 1 338.492 3.612 50 0 EHAAMO O=C(NCc1ccc(F)cc1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299793352 258098418 /nfs/dbraw/zinc/09/84/18/258098418.db2.gz IPOLJAKHDOIXGW-ZCNNSNEGSA-N 1 1 338.426 3.668 50 0 EHAAMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccccc1 ZINC000007276381 258052630 /nfs/dbraw/zinc/05/26/30/258052630.db2.gz XJAYKCRJGIHQPF-UHFFFAOYSA-N 1 1 334.419 3.959 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000252486150 524116135 /nfs/dbraw/zinc/11/61/35/524116135.db2.gz FTFUAJAEUGQSQX-VXGBXAGGSA-N 1 1 330.448 3.567 50 0 EHAAMO O=C(C[NH+]1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000073818 563216097 /nfs/dbraw/zinc/21/60/97/563216097.db2.gz JXQDGDGUFNMCTL-UHFFFAOYSA-N 1 1 340.267 3.759 50 0 EHAAMO CC[N@@H+](CCC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000000455151 563323628 /nfs/dbraw/zinc/32/36/28/563323628.db2.gz YTTHQSLTSRFSDP-UHFFFAOYSA-N 1 1 342.439 3.555 50 0 EHAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1cc(F)cc(F)c1 ZINC000002515313 563436355 /nfs/dbraw/zinc/43/63/55/563436355.db2.gz IGYFJRHAKYXQNI-UHFFFAOYSA-N 1 1 333.403 3.745 50 0 EHAAMO COc1cc(OC)c(C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000004988863 563517857 /nfs/dbraw/zinc/51/78/57/563517857.db2.gz IMHMTYCFFHOETP-NSHDSACASA-N 1 1 328.250 3.698 50 0 EHAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H](C)C2)cc1Br ZINC000004988863 563517858 /nfs/dbraw/zinc/51/78/58/563517858.db2.gz IMHMTYCFFHOETP-NSHDSACASA-N 1 1 328.250 3.698 50 0 EHAAMO COc1cccc(CC[C@@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000012072540 563653105 /nfs/dbraw/zinc/65/31/05/563653105.db2.gz UUUWDDFGJAISNM-SFHVURJKSA-N 1 1 327.472 3.582 50 0 EHAAMO CC[N@@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@H]1CCCO1 ZINC000012092916 563653572 /nfs/dbraw/zinc/65/35/72/563653572.db2.gz UXHSGAHRGWGATL-OAHLLOKOSA-N 1 1 348.418 3.799 50 0 EHAAMO CC[N@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@H]1CCCO1 ZINC000012092916 563653574 /nfs/dbraw/zinc/65/35/74/563653574.db2.gz UXHSGAHRGWGATL-OAHLLOKOSA-N 1 1 348.418 3.799 50 0 EHAAMO C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012314966 563657660 /nfs/dbraw/zinc/65/76/60/563657660.db2.gz QUXHAIUKNQRNNR-QPHYPNAHSA-N 1 1 330.447 3.606 50 0 EHAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)o1 ZINC000012314142 563657798 /nfs/dbraw/zinc/65/77/98/563657798.db2.gz BEGRUZUZUIJRLW-CQSZACIVSA-N 1 1 333.453 3.891 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)o1 ZINC000012314142 563657800 /nfs/dbraw/zinc/65/78/00/563657800.db2.gz BEGRUZUZUIJRLW-CQSZACIVSA-N 1 1 333.453 3.891 50 0 EHAAMO C[C@@H]1C[N@@H+](Cc2ccc(NC(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000012418043 563660438 /nfs/dbraw/zinc/66/04/38/563660438.db2.gz BEHQCNBACRPTSR-OKILXGFUSA-N 1 1 330.453 3.610 50 0 EHAAMO C[C@@H]1C[N@H+](Cc2ccc(NC(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000012418043 563660442 /nfs/dbraw/zinc/66/04/42/563660442.db2.gz BEHQCNBACRPTSR-OKILXGFUSA-N 1 1 330.453 3.610 50 0 EHAAMO CC(C)[N@@H+](CCO)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012434250 563660731 /nfs/dbraw/zinc/66/07/31/563660731.db2.gz BGWWUNRXLKGRPV-UHFFFAOYSA-N 1 1 335.451 3.946 50 0 EHAAMO OC[C@@]1(CCc2ccccc2)CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012471383 563661918 /nfs/dbraw/zinc/66/19/18/563661918.db2.gz AKQPFJTXYNGMGO-HSZRJFAPSA-N 1 1 335.491 3.861 50 0 EHAAMO CC[N@@H+](Cc1cccc(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012990397 563682736 /nfs/dbraw/zinc/68/27/36/563682736.db2.gz FIJNHKJZXRQXIH-UHFFFAOYSA-N 1 1 334.778 3.867 50 0 EHAAMO CC[N@H+](Cc1cccc(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012990397 563682739 /nfs/dbraw/zinc/68/27/39/563682739.db2.gz FIJNHKJZXRQXIH-UHFFFAOYSA-N 1 1 334.778 3.867 50 0 EHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCCC3)c2c1C ZINC000012997577 563683729 /nfs/dbraw/zinc/68/37/29/563683729.db2.gz VEDPWUPEGIJXTA-UHFFFAOYSA-N 1 1 330.501 3.894 50 0 EHAAMO NC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000014136078 563743578 /nfs/dbraw/zinc/74/35/78/563743578.db2.gz GQBKJPJLJQJNRC-UHFFFAOYSA-N 1 1 326.421 3.642 50 0 EHAAMO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000014136078 563743580 /nfs/dbraw/zinc/74/35/80/563743580.db2.gz GQBKJPJLJQJNRC-UHFFFAOYSA-N 1 1 326.421 3.642 50 0 EHAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000014166847 563746419 /nfs/dbraw/zinc/74/64/19/563746419.db2.gz GECOLKNIVPCPFJ-UHFFFAOYSA-N 1 1 345.393 3.705 50 0 EHAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000014166847 563746422 /nfs/dbraw/zinc/74/64/22/563746422.db2.gz GECOLKNIVPCPFJ-UHFFFAOYSA-N 1 1 345.393 3.705 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2C)N3)C1 ZINC000004556130 563779169 /nfs/dbraw/zinc/77/91/69/563779169.db2.gz PGVIOIQHMUMYCB-MRXNPFEDSA-N 1 1 327.453 3.863 50 0 EHAAMO CCc1ccccc1Nc1nc(N)nc(C[N@H+](C)C2CCCCC2)n1 ZINC000016445588 563811754 /nfs/dbraw/zinc/81/17/54/563811754.db2.gz HCOYVMJSEZZWCB-UHFFFAOYSA-N 1 1 340.475 3.524 50 0 EHAAMO CCc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C2CCCCC2)n1 ZINC000016445588 563811756 /nfs/dbraw/zinc/81/17/56/563811756.db2.gz HCOYVMJSEZZWCB-UHFFFAOYSA-N 1 1 340.475 3.524 50 0 EHAAMO CCOC(=O)C1CCN(c2cc(C)c3cc4c(cc3[nH+]2)CCC4)CC1 ZINC000023634293 563919415 /nfs/dbraw/zinc/91/94/15/563919415.db2.gz ORTMUEXBNNVESN-UHFFFAOYSA-N 1 1 338.451 3.811 50 0 EHAAMO Cc1ccc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)s1 ZINC000039479064 563922540 /nfs/dbraw/zinc/92/25/40/563922540.db2.gz ZEDURXFUUGOQRM-GOSISDBHSA-N 1 1 336.545 3.505 50 0 EHAAMO CC(C)[C@@H](C)[N@@H+](CCn1c(=O)oc2ccccc21)Cc1ccco1 ZINC000055414017 563934785 /nfs/dbraw/zinc/93/47/85/563934785.db2.gz RDHRTFFAKMAVPJ-OAHLLOKOSA-N 1 1 328.412 3.734 50 0 EHAAMO C[NH2+]C1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000063870651 563956343 /nfs/dbraw/zinc/95/63/43/563956343.db2.gz ARMXYDOMZQKJGD-UHFFFAOYSA-N 1 1 339.483 3.599 50 0 EHAAMO CC[C@H](C)Oc1ccc(C[NH2+]Cc2csc(N)n2)cc1Cl ZINC000063869599 563956364 /nfs/dbraw/zinc/95/63/64/563956364.db2.gz DLXRXKFCIFRMPN-JTQLQIEISA-N 1 1 325.865 3.846 50 0 EHAAMO C[C@H](c1nc(CCc2ccccc2)nn1-c1ccccn1)[NH+]1CCCC1 ZINC000065385622 563959296 /nfs/dbraw/zinc/95/92/96/563959296.db2.gz NNFKWQXFIQDKSE-QGZVFWFLSA-N 1 1 347.466 3.604 50 0 EHAAMO COCC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067434538 563962304 /nfs/dbraw/zinc/96/23/04/563962304.db2.gz TUDRFZZBUARAJJ-UHFFFAOYSA-N 1 1 333.435 3.748 50 0 EHAAMO COCC[C@@H]1CCCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067540157 563962319 /nfs/dbraw/zinc/96/23/19/563962319.db2.gz ZUHCISXYUSWUEB-INIZCTEOSA-N 1 1 334.847 3.573 50 0 EHAAMO C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2nn(C)c3ccccc32)c1 ZINC000067643642 563962403 /nfs/dbraw/zinc/96/24/03/563962403.db2.gz VUXZGBIXGBWHPT-HNNXBMFYSA-N 1 1 348.450 3.810 50 0 EHAAMO Cc1n[nH]c(C)c1C[NH+]1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 ZINC000067688310 563962501 /nfs/dbraw/zinc/96/25/01/563962501.db2.gz JVQJWBXKGYXDGO-UHFFFAOYSA-N 1 1 349.482 3.720 50 0 EHAAMO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1)c1ccsc1 ZINC000067714480 563962569 /nfs/dbraw/zinc/96/25/69/563962569.db2.gz VRIUTNAQSQNQJM-AWEZNQCLSA-N 1 1 334.872 3.653 50 0 EHAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067722923 563962585 /nfs/dbraw/zinc/96/25/85/563962585.db2.gz YEVXJZMEMCRYOG-MRXNPFEDSA-N 1 1 334.847 3.573 50 0 EHAAMO OCCCC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743089 563962664 /nfs/dbraw/zinc/96/26/64/563962664.db2.gz NQUGPHKUKINTGN-UHFFFAOYSA-N 1 1 347.462 3.874 50 0 EHAAMO O[C@@H]1C[N@H+](C2CCCCCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067869215 563962923 /nfs/dbraw/zinc/96/29/23/563962923.db2.gz SWXQUGBZCXALCG-ZWKOTPCHSA-N 1 1 331.456 3.678 50 0 EHAAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067909146 563963051 /nfs/dbraw/zinc/96/30/51/563963051.db2.gz KBAKLLBSCIYWGP-MRXNPFEDSA-N 1 1 334.847 3.573 50 0 EHAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C[C@H](C)CO)C2 ZINC000067934272 563963098 /nfs/dbraw/zinc/96/30/98/563963098.db2.gz GWNGQQWNPHZZIK-ZDUSSCGKSA-N 1 1 347.480 3.555 50 0 EHAAMO CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)ccc(C)c3Cl)C2)C1 ZINC000067947970 563963172 /nfs/dbraw/zinc/96/31/72/563963172.db2.gz MFJYQOQWAJBBKZ-SFHVURJKSA-N 1 1 338.854 3.622 50 0 EHAAMO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C1CCS(=O)CC1 ZINC000097080845 563967236 /nfs/dbraw/zinc/96/72/36/563967236.db2.gz XHGGIRGSDOEMAG-UHFFFAOYSA-N 1 1 343.492 3.705 50 0 EHAAMO c1ccc(CC[N@H+]2CCC[C@@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000091486118 563975427 /nfs/dbraw/zinc/97/54/27/563975427.db2.gz BMVDXCNOCGNPGY-SFHVURJKSA-N 1 1 336.483 3.721 50 0 EHAAMO CC[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CC[N@H+]1C(C)C ZINC000091416808 563975429 /nfs/dbraw/zinc/97/54/29/563975429.db2.gz GKSWCELAEIVZQK-OAHLLOKOSA-N 1 1 347.890 3.777 50 0 EHAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000091678588 563975693 /nfs/dbraw/zinc/97/56/93/563975693.db2.gz PAMRQGHQBCBBGT-ZDUSSCGKSA-N 1 1 340.398 3.869 50 0 EHAAMO COCCn1ccnc1[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000091808376 563975782 /nfs/dbraw/zinc/97/57/82/563975782.db2.gz PZGHAIGOKZGWSA-KRWDZBQOSA-N 1 1 345.512 3.501 50 0 EHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000092077553 563976038 /nfs/dbraw/zinc/97/60/38/563976038.db2.gz JDMIWNRSBLYJLL-LJQANCHMSA-N 1 1 326.484 3.515 50 0 EHAAMO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000095357532 563976761 /nfs/dbraw/zinc/97/67/61/563976761.db2.gz JORZKPWMBPKYPP-RBBKRZOGSA-N 1 1 335.495 3.740 50 0 EHAAMO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1 ZINC000095357532 563976762 /nfs/dbraw/zinc/97/67/62/563976762.db2.gz JORZKPWMBPKYPP-RBBKRZOGSA-N 1 1 335.495 3.740 50 0 EHAAMO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cc1 ZINC000095357532 563976763 /nfs/dbraw/zinc/97/67/63/563976763.db2.gz JORZKPWMBPKYPP-RBBKRZOGSA-N 1 1 335.495 3.740 50 0 EHAAMO COc1ccc(NC(=O)N2CCC[N@H+](C3CCCCC3)CC2)c(F)c1 ZINC000096164824 563979930 /nfs/dbraw/zinc/97/99/30/563979930.db2.gz ZGFXNEHTEQMTOO-UHFFFAOYSA-N 1 1 349.450 3.707 50 0 EHAAMO CC(C)C[N@@H+](C[C@@H](O)c1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000248237424 563983836 /nfs/dbraw/zinc/98/38/36/563983836.db2.gz MZKVMPOGWXOPGN-RHSMWYFYSA-N 1 1 329.444 3.700 50 0 EHAAMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C[N@@H+](Cc2ccccn2)C2CC2)C1 ZINC000408518861 563993086 /nfs/dbraw/zinc/99/30/86/563993086.db2.gz GDGSUIRWKKWUCR-CVEARBPZSA-N 1 1 345.487 3.739 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005348802 564002966 /nfs/dbraw/zinc/00/29/66/564002966.db2.gz GRUUTXSLUORAFV-PMACEKPBSA-N 1 1 332.532 3.907 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245218 564011476 /nfs/dbraw/zinc/01/14/76/564011476.db2.gz IESQPBKYIUAJGX-FXAWDEMLSA-N 1 1 325.452 3.968 50 0 EHAAMO O=C(CCc1cnc[nH]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000189238670 564014972 /nfs/dbraw/zinc/01/49/72/564014972.db2.gz VOOXIWVSADBDNO-QGZVFWFLSA-N 1 1 345.855 3.963 50 0 EHAAMO c1csc([C@@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)c1 ZINC000051231148 564022685 /nfs/dbraw/zinc/02/26/85/564022685.db2.gz MTWKBRUQQJRAEN-ZDUSSCGKSA-N 1 1 328.466 3.999 50 0 EHAAMO c1csc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)c1 ZINC000051231148 564022686 /nfs/dbraw/zinc/02/26/86/564022686.db2.gz MTWKBRUQQJRAEN-ZDUSSCGKSA-N 1 1 328.466 3.999 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccncc1 ZINC000106830177 564026640 /nfs/dbraw/zinc/02/66/40/564026640.db2.gz YLLVFNMVCPYWCN-SFTDATJTSA-N 1 1 349.478 3.657 50 0 EHAAMO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C)CC2)no1 ZINC000107346339 564026907 /nfs/dbraw/zinc/02/69/07/564026907.db2.gz PIMXOBBSCTZDSA-RDTXWAMCSA-N 1 1 327.428 3.785 50 0 EHAAMO NC(=O)CC1CC[NH+](Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000044975470 564027931 /nfs/dbraw/zinc/02/79/31/564027931.db2.gz VPVULQHGDFLXRE-UHFFFAOYSA-N 1 1 349.887 3.551 50 0 EHAAMO Cc1ccc(N2CCC[N@H+](C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000108171210 564028004 /nfs/dbraw/zinc/02/80/04/564028004.db2.gz BLDZPJHKJWLPGW-TZIWHRDSSA-N 1 1 330.516 3.958 50 0 EHAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048303666 564030713 /nfs/dbraw/zinc/03/07/13/564030713.db2.gz QWZVPRKFQCPYDC-IUODEOHRSA-N 1 1 344.436 3.641 50 0 EHAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048303666 564030714 /nfs/dbraw/zinc/03/07/14/564030714.db2.gz QWZVPRKFQCPYDC-IUODEOHRSA-N 1 1 344.436 3.641 50 0 EHAAMO C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc(=O)n2ccsc2n1 ZINC000008127069 564034747 /nfs/dbraw/zinc/03/47/47/564034747.db2.gz CQRGAGQCLCGFHG-UHFFFAOYSA-N 1 1 335.432 3.541 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000057318475 564036827 /nfs/dbraw/zinc/03/68/27/564036827.db2.gz KREPDZLAFLHPFV-ZDUSSCGKSA-N 1 1 332.831 3.946 50 0 EHAAMO CSCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000222473567 564036868 /nfs/dbraw/zinc/03/68/68/564036868.db2.gz ASBOFLFPAJAOLB-UHFFFAOYSA-N 1 1 341.436 3.567 50 0 EHAAMO Cc1ccc(C2(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000223388581 564039749 /nfs/dbraw/zinc/03/97/49/564039749.db2.gz LMFNSAMGAXRNLF-HXUWFJFHSA-N 1 1 348.490 3.665 50 0 EHAAMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000225668280 564049225 /nfs/dbraw/zinc/04/92/25/564049225.db2.gz GVMGBYIZLTYKPN-FXAWDEMLSA-N 1 1 340.467 3.644 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)c2)n1 ZINC000252499364 564053513 /nfs/dbraw/zinc/05/35/13/564053513.db2.gz RZIGRMPGEBCEKR-SFHVURJKSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)c2)n1 ZINC000252499364 564053514 /nfs/dbraw/zinc/05/35/14/564053514.db2.gz RZIGRMPGEBCEKR-SFHVURJKSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)c2)n1 ZINC000252499364 564053515 /nfs/dbraw/zinc/05/35/15/564053515.db2.gz RZIGRMPGEBCEKR-SFHVURJKSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1csc(C2([NH2+]CC(=O)N[C@@H](C)c3cccs3)CCCC2)n1 ZINC000083215746 564061987 /nfs/dbraw/zinc/06/19/87/564061987.db2.gz KWRZZUYWPNUFJK-ZDUSSCGKSA-N 1 1 349.525 3.749 50 0 EHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248380004 564063485 /nfs/dbraw/zinc/06/34/85/564063485.db2.gz OQLLYWLIHPTKFE-KXBFYZLASA-N 1 1 326.415 3.840 50 0 EHAAMO COC(=O)C1=C(C)NC(=[NH2+])S[C@@H]1c1cccc(Cl)c1Cl ZINC000001410006 564065358 /nfs/dbraw/zinc/06/53/58/564065358.db2.gz TXLCFGPLTWLGAM-LLVKDONJSA-N 1 1 331.224 3.543 50 0 EHAAMO C[N@@H+](CCC(=O)N1CCCCC1)Cc1cccc(C(F)(F)F)c1 ZINC000053113337 564066734 /nfs/dbraw/zinc/06/67/34/564066734.db2.gz APIXLZYFYVLTBF-UHFFFAOYSA-N 1 1 328.378 3.540 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C)c(F)c1 ZINC000012756253 564067252 /nfs/dbraw/zinc/06/72/52/564067252.db2.gz ZMKYZJJVBHIOGS-QGZVFWFLSA-N 1 1 346.471 3.821 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C)c(F)c1 ZINC000012756253 564067253 /nfs/dbraw/zinc/06/72/53/564067253.db2.gz ZMKYZJJVBHIOGS-QGZVFWFLSA-N 1 1 346.471 3.821 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)cc1 ZINC000084388779 564068031 /nfs/dbraw/zinc/06/80/31/564068031.db2.gz GXAGULCNKLACTH-UHFFFAOYSA-N 1 1 349.438 3.707 50 0 EHAAMO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000078870253 564069974 /nfs/dbraw/zinc/06/99/74/564069974.db2.gz JFRSRINCEVTWCK-BXUZGUMPSA-N 1 1 334.847 3.949 50 0 EHAAMO CCc1[nH+]ccn1CC1CCN(C(=O)Nc2c(F)cccc2F)CC1 ZINC000085436355 564073207 /nfs/dbraw/zinc/07/32/07/564073207.db2.gz GVTCMJYIWFFHCN-UHFFFAOYSA-N 1 1 348.397 3.668 50 0 EHAAMO C[N@@H+](CCCNC(=O)c1cc2cc(F)ccc2[nH]1)Cc1ccccc1 ZINC000012902744 564077707 /nfs/dbraw/zinc/07/77/07/564077707.db2.gz QUQHLFSHBNSJMU-UHFFFAOYSA-N 1 1 339.414 3.559 50 0 EHAAMO CC1(C)[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000123281731 564085924 /nfs/dbraw/zinc/08/59/24/564085924.db2.gz ZOAJJSZDEJSXCZ-IOMROCGXSA-N 1 1 342.527 3.659 50 0 EHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000242389226 564088535 /nfs/dbraw/zinc/08/85/35/564088535.db2.gz ZVIKUQAKSZZNHK-BBRMVZONSA-N 1 1 332.444 3.902 50 0 EHAAMO c1[nH]c([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)nc1-c1ccccc1 ZINC000075612294 564089899 /nfs/dbraw/zinc/08/98/99/564089899.db2.gz PFZBBJXFWMJRFX-INIZCTEOSA-N 1 1 349.438 3.717 50 0 EHAAMO c1[nH]c([C@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)nc1-c1ccccc1 ZINC000075612294 564089900 /nfs/dbraw/zinc/08/99/00/564089900.db2.gz PFZBBJXFWMJRFX-INIZCTEOSA-N 1 1 349.438 3.717 50 0 EHAAMO Oc1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000006510451 564091289 /nfs/dbraw/zinc/09/12/89/564091289.db2.gz HGXUDGMVRNJQAZ-UHFFFAOYSA-N 1 1 339.826 3.920 50 0 EHAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590794 564092589 /nfs/dbraw/zinc/09/25/89/564092589.db2.gz KVIUSGQCPPWZQT-UHFFFAOYSA-N 1 1 339.414 3.554 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000089537164 564092743 /nfs/dbraw/zinc/09/27/43/564092743.db2.gz PGYJXXCFNXMKOE-UHFFFAOYSA-N 1 1 331.847 3.893 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000089537164 564092744 /nfs/dbraw/zinc/09/27/44/564092744.db2.gz PGYJXXCFNXMKOE-UHFFFAOYSA-N 1 1 331.847 3.893 50 0 EHAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000426612730 564094221 /nfs/dbraw/zinc/09/42/21/564094221.db2.gz XZVIXNNSWZKUPB-FQEVSTJZSA-N 1 1 340.492 3.973 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3ccc(C)s3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426689859 564094384 /nfs/dbraw/zinc/09/43/84/564094384.db2.gz LYFBFGAGKJTUEG-NZSAHSFTSA-N 1 1 335.513 3.995 50 0 EHAAMO COc1c(C)c[nH+]c(CN2CCCC[C@@H]2c2nc(C3CC3)no2)c1C ZINC000065286170 564104416 /nfs/dbraw/zinc/10/44/16/564104416.db2.gz BTOQYBUMPRWGQJ-MRXNPFEDSA-N 1 1 342.443 3.695 50 0 EHAAMO Cc1noc([C@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000065475808 564106236 /nfs/dbraw/zinc/10/62/36/564106236.db2.gz DZTUJTJYRBQXFP-LBPRGKRZSA-N 1 1 343.406 3.533 50 0 EHAAMO Cc1noc([C@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000065475808 564106237 /nfs/dbraw/zinc/10/62/37/564106237.db2.gz DZTUJTJYRBQXFP-LBPRGKRZSA-N 1 1 343.406 3.533 50 0 EHAAMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000065497461 564106512 /nfs/dbraw/zinc/10/65/12/564106512.db2.gz WOJMXVSOJDQDAG-ULKQQTICSA-N 1 1 348.490 3.740 50 0 EHAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000065563774 564107019 /nfs/dbraw/zinc/10/70/19/564107019.db2.gz URIQDODLDUGLCI-CQSZACIVSA-N 1 1 326.444 3.700 50 0 EHAAMO CCCC[N@H+](C)CC1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000170603414 564109532 /nfs/dbraw/zinc/10/95/32/564109532.db2.gz PWULCHFUHCKNSH-UHFFFAOYSA-N 1 1 327.472 3.889 50 0 EHAAMO CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000170603414 564109533 /nfs/dbraw/zinc/10/95/33/564109533.db2.gz PWULCHFUHCKNSH-UHFFFAOYSA-N 1 1 327.472 3.889 50 0 EHAAMO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000170615885 564110007 /nfs/dbraw/zinc/11/00/07/564110007.db2.gz WFLAORZCJJEMKH-MRXNPFEDSA-N 1 1 332.513 3.693 50 0 EHAAMO Cc1nc(-c2cccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cs1 ZINC000252502976 564119858 /nfs/dbraw/zinc/11/98/58/564119858.db2.gz UWDUJTYKGHHOSE-SJORKVTESA-N 1 1 342.464 3.902 50 0 EHAAMO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252512387 564120164 /nfs/dbraw/zinc/12/01/64/564120164.db2.gz QBIAFLACXLVAPU-UXPWSPDFSA-N 1 1 341.499 3.796 50 0 EHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000007814776 564124012 /nfs/dbraw/zinc/12/40/12/564124012.db2.gz YMZKWAQZMGLEHL-HNNXBMFYSA-N 1 1 343.452 3.505 50 0 EHAAMO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000278640209 564138393 /nfs/dbraw/zinc/13/83/93/564138393.db2.gz LLAQNDPTBJUNCS-UHFFFAOYSA-N 1 1 333.435 3.560 50 0 EHAAMO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418561 564139784 /nfs/dbraw/zinc/13/97/84/564139784.db2.gz VSSCNNWFEVDKMH-OAHLLOKOSA-N 1 1 341.846 3.667 50 0 EHAAMO Cc1[nH+]ccn1C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000095438656 564140464 /nfs/dbraw/zinc/14/04/64/564140464.db2.gz LZFOGEUEQZSODX-TZIWHRDSSA-N 1 1 336.435 3.667 50 0 EHAAMO C[N@@H+](CCCCCO)CCOc1ccccc1Cc1ccccc1 ZINC000096026614 564144978 /nfs/dbraw/zinc/14/49/78/564144978.db2.gz LXSDRITVQNOVBJ-UHFFFAOYSA-N 1 1 327.468 3.751 50 0 EHAAMO CCCCOc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000097013570 564149081 /nfs/dbraw/zinc/14/90/81/564149081.db2.gz AKPREPBZSNPGQN-HOTGVXAUSA-N 1 1 345.487 3.921 50 0 EHAAMO CC(C)C[N@@H+](CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000097029966 564149182 /nfs/dbraw/zinc/14/91/82/564149182.db2.gz QIUDTZHOSNICGY-CYBMUJFWSA-N 1 1 349.862 3.575 50 0 EHAAMO CCCC[N@@H+](C)CCCNC(=O)CSCc1ccccc1Cl ZINC000003005891 564154316 /nfs/dbraw/zinc/15/43/16/564154316.db2.gz ARRHNTSRIVSGBF-UHFFFAOYSA-N 1 1 342.936 3.811 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000008940107 564168079 /nfs/dbraw/zinc/16/80/79/564168079.db2.gz PHYUWWKBPPUWRE-GOEBONIOSA-N 1 1 339.483 3.507 50 0 EHAAMO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040120635 564168225 /nfs/dbraw/zinc/16/82/25/564168225.db2.gz ICYYEJIQJICFTO-RBUKOAKNSA-N 1 1 343.471 3.756 50 0 EHAAMO CN1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)Cc2ccccc21 ZINC000069090576 564168361 /nfs/dbraw/zinc/16/83/61/564168361.db2.gz CCCAQHVFVHHVAI-UHFFFAOYSA-N 1 1 344.842 3.659 50 0 EHAAMO CN1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)Cc2ccccc21 ZINC000069090576 564168362 /nfs/dbraw/zinc/16/83/62/564168362.db2.gz CCCAQHVFVHHVAI-UHFFFAOYSA-N 1 1 344.842 3.659 50 0 EHAAMO O=C(Cc1ccccc1Cl)NC[C@@H](c1ccsc1)[NH+]1CCC1 ZINC000245130906 564168645 /nfs/dbraw/zinc/16/86/45/564168645.db2.gz VDUWVJHYEUPYSN-INIZCTEOSA-N 1 1 334.872 3.507 50 0 EHAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000009052337 564168675 /nfs/dbraw/zinc/16/86/75/564168675.db2.gz BAMJXZJTUGFREC-ZDUSSCGKSA-N 1 1 327.211 3.619 50 0 EHAAMO C[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1 ZINC000040475926 564169740 /nfs/dbraw/zinc/16/97/40/564169740.db2.gz XAUMJFNOSWDATH-UHFFFAOYSA-N 1 1 342.262 3.935 50 0 EHAAMO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000040528274 564170383 /nfs/dbraw/zinc/17/03/83/564170383.db2.gz REZYYXDTEFBQPW-IEBWSBKVSA-N 1 1 345.464 3.528 50 0 EHAAMO c1ncn(C[C@@H]2CCCC[N@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000069599144 564170836 /nfs/dbraw/zinc/17/08/36/564170836.db2.gz KHDCAVACIKIDPK-SFHVURJKSA-N 1 1 349.438 3.520 50 0 EHAAMO CC[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000289365927 1018328744 /nfs/dbraw/zinc/32/87/44/1018328744.db2.gz JNKDPMJBFVTHFO-RHSMWYFYSA-N 1 1 331.847 3.675 50 0 EHAAMO COc1cccc2c(N3CC[C@H](n4c[nH+]c5c4CCCC5)C3)ccnc12 ZINC000436450949 1031491842 /nfs/dbraw/zinc/49/18/42/1031491842.db2.gz RGZWWIGETVNVKA-HNNXBMFYSA-N 1 1 348.450 3.770 50 0 EHAAMO CCC[C@]1(COC)CCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000194939625 1035174931 /nfs/dbraw/zinc/17/49/31/1035174931.db2.gz GWAYSKFCUQJIGM-LJQANCHMSA-N 1 1 329.444 3.560 50 0 EHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000023373046 1035246823 /nfs/dbraw/zinc/24/68/23/1035246823.db2.gz YTIXSRCGCNKUAF-OAQYLSRUSA-N 1 1 341.543 3.914 50 0 EHAAMO c1ccc(-c2nc(CC[C@@H]3CCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000675019827 1039883071 /nfs/dbraw/zinc/88/30/71/1039883071.db2.gz JXJSLPYILOYEJN-SFHVURJKSA-N 1 1 334.423 3.729 50 0 EHAAMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)c1cc(F)cc(F)c1 ZINC000180045887 1123927186 /nfs/dbraw/zinc/92/71/86/1123927186.db2.gz RJQMHXFTEKOTPC-GFCCVEGCSA-N 1 1 333.382 3.678 50 0 EHAAMO Cc1cnc(C[C@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544800 1131568524 /nfs/dbraw/zinc/56/85/24/1131568524.db2.gz BHNUUWIJPIZOQR-HXUWFJFHSA-N 1 1 346.478 3.699 50 0 EHAAMO Cc1cnc(C[C@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544800 1131568527 /nfs/dbraw/zinc/56/85/27/1131568527.db2.gz BHNUUWIJPIZOQR-HXUWFJFHSA-N 1 1 346.478 3.699 50 0 EHAAMO CC(C)C[N@@H+](Cc1ccncc1)C1CN(C(=O)CCC2CCCC2)C1 ZINC000581775876 1132353360 /nfs/dbraw/zinc/35/33/60/1132353360.db2.gz ADZLKAIELPAFOT-UHFFFAOYSA-N 1 1 343.515 3.721 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)NC2CCCCC2)n1C1CCCCC1 ZINC000581815551 1132372959 /nfs/dbraw/zinc/37/29/59/1132372959.db2.gz NDTHRGGBTMYIEH-UHFFFAOYSA-N 1 1 332.492 3.871 50 0 EHAAMO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585081435 1136967025 /nfs/dbraw/zinc/96/70/25/1136967025.db2.gz HIFVHYIODZUWRM-SFHVURJKSA-N 1 1 337.423 3.618 50 0 EHAAMO CCc1ccc(C[N@H+]2CCC[C@H](COc3cccc(OC)c3)C2)nc1 ZINC000952974942 1137484365 /nfs/dbraw/zinc/48/43/65/1137484365.db2.gz VVARXNGXWZZQJU-SFHVURJKSA-N 1 1 340.467 3.944 50 0 EHAAMO CC(C)c1cc(Br)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000009096029 201768124 /nfs/dbraw/zinc/76/81/24/201768124.db2.gz COTBJGHZPQXGCJ-UHFFFAOYSA-N 1 1 339.277 3.997 50 0 EHAAMO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019855164 202023843 /nfs/dbraw/zinc/02/38/43/202023843.db2.gz DXHAMZBSHIWJDT-UHFFFAOYSA-N 1 1 348.421 3.937 50 0 EHAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCCCC1 ZINC000020100595 202031291 /nfs/dbraw/zinc/03/12/91/202031291.db2.gz BWXKPWKLKWVXQL-UHFFFAOYSA-N 1 1 338.854 3.704 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000020443264 202041260 /nfs/dbraw/zinc/04/12/60/202041260.db2.gz UZMUDPKMXJNPEM-GFCCVEGCSA-N 1 1 329.835 3.661 50 0 aggregator EHAAMO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc2c1OCO2 ZINC000022022976 202077168 /nfs/dbraw/zinc/07/71/68/202077168.db2.gz HICQBPQOOOAKCS-INIZCTEOSA-N 1 1 326.396 3.546 50 0 EHAAMO COc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc2c1OCO2 ZINC000022022976 202077172 /nfs/dbraw/zinc/07/71/72/202077172.db2.gz HICQBPQOOOAKCS-INIZCTEOSA-N 1 1 326.396 3.546 50 0 EHAAMO C[C@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022773724 202091396 /nfs/dbraw/zinc/09/13/96/202091396.db2.gz ASLJOXRXEJDFAG-QGZVFWFLSA-N 1 1 348.450 3.615 50 0 EHAAMO CN(Cc1ccon1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000023541865 202105970 /nfs/dbraw/zinc/10/59/70/202105970.db2.gz SEPUIXINVCFTII-KRWDZBQOSA-N 1 1 347.890 3.715 50 0 EHAAMO O=C(CSc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000028005481 202163607 /nfs/dbraw/zinc/16/36/07/202163607.db2.gz KKLLJNYEDKOUKU-QGZVFWFLSA-N 1 1 344.480 3.715 50 0 EHAAMO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3ccccc3Cl)nc12 ZINC000032511054 202225917 /nfs/dbraw/zinc/22/59/17/202225917.db2.gz APTOSXNGOFIRNX-CYBMUJFWSA-N 1 1 327.815 3.507 50 0 EHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032510344 202226577 /nfs/dbraw/zinc/22/65/77/202226577.db2.gz ZLFFVTOBIPODLW-HNNXBMFYSA-N 1 1 343.452 3.505 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 ZINC000069947715 202299644 /nfs/dbraw/zinc/29/96/44/202299644.db2.gz TZFNVUIROZGWSI-AWEZNQCLSA-N 1 1 344.484 3.818 50 0 EHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103031 202315963 /nfs/dbraw/zinc/31/59/63/202315963.db2.gz GMJBHLDNUTZORM-HXUWFJFHSA-N 1 1 345.458 3.861 50 0 EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCc1ccsc1 ZINC000036389797 202324526 /nfs/dbraw/zinc/32/45/26/202324526.db2.gz JYTAJSUWAVDRCH-MJGOQNOKSA-N 1 1 340.492 3.824 50 0 EHAAMO C[N@H+](Cc1nnc(C2CC2)o1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801607 202368763 /nfs/dbraw/zinc/36/87/63/202368763.db2.gz ZJKOJXRWCOBGST-UHFFFAOYSA-N 1 1 346.862 3.701 50 0 EHAAMO C[N@@H+](Cc1nnc(C2CC2)o1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801607 202368767 /nfs/dbraw/zinc/36/87/67/202368767.db2.gz ZJKOJXRWCOBGST-UHFFFAOYSA-N 1 1 346.862 3.701 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000078553202 202395836 /nfs/dbraw/zinc/39/58/36/202395836.db2.gz ZYVMVFIBFVOENZ-SECBINFHSA-N 1 1 329.416 3.937 50 0 EHAAMO CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000229282152 201042558 /nfs/dbraw/zinc/04/25/58/201042558.db2.gz SZHYDZNPBGKIPL-QWHCGFSZSA-N 1 1 326.400 3.714 50 0 EHAAMO CCc1noc([C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000229282152 201042563 /nfs/dbraw/zinc/04/25/63/201042563.db2.gz SZHYDZNPBGKIPL-QWHCGFSZSA-N 1 1 326.400 3.714 50 0 EHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cn(C)c2ccccc12 ZINC000253403616 201186986 /nfs/dbraw/zinc/18/69/86/201186986.db2.gz HGUWLMAJNIIWLA-QFBILLFUSA-N 1 1 339.483 3.515 50 0 biogenic EHAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000097201210 201381770 /nfs/dbraw/zinc/38/17/70/201381770.db2.gz IWRNNMDTFZFPGC-HXUWFJFHSA-N 1 1 349.434 3.659 50 0 EHAAMO O[C@H](COCc1ccccc1F)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993400 202677380 /nfs/dbraw/zinc/67/73/80/202677380.db2.gz IQXGCLGFGGGVNA-AZUAARDMSA-N 1 1 329.415 3.540 50 0 EHAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc(NCc2ccccc2)nc1 ZINC000215117500 241107647 /nfs/dbraw/zinc/10/76/47/241107647.db2.gz AJFUNNWJLKKIDK-INIZCTEOSA-N 1 1 333.439 3.677 50 0 EHAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc(NCc2ccccc2)nc1 ZINC000215117500 241107651 /nfs/dbraw/zinc/10/76/51/241107651.db2.gz AJFUNNWJLKKIDK-INIZCTEOSA-N 1 1 333.439 3.677 50 0 EHAAMO c1cc(C[N@@H+](Cc2nnc(C3CC3)o2)C2CCCC2)cc2c1OCC2 ZINC000069586215 203023310 /nfs/dbraw/zinc/02/33/10/203023310.db2.gz UACJKJSBXKYOTO-UHFFFAOYSA-N 1 1 339.439 3.827 50 0 EHAAMO c1cc(C[N@H+](Cc2nnc(C3CC3)o2)C2CCCC2)cc2c1OCC2 ZINC000069586215 203023314 /nfs/dbraw/zinc/02/33/14/203023314.db2.gz UACJKJSBXKYOTO-UHFFFAOYSA-N 1 1 339.439 3.827 50 0 EHAAMO C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069655993 203033222 /nfs/dbraw/zinc/03/32/22/203033222.db2.gz GDENUZPTJUUGDN-GJZGRUSLSA-N 1 1 342.468 3.658 50 0 EHAAMO COc1ccc2c(C[N@H+]3CC[C@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000069664550 203033841 /nfs/dbraw/zinc/03/38/41/203033841.db2.gz RDNKQTPUSZYVAS-INIZCTEOSA-N 1 1 335.403 3.791 50 0 EHAAMO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)no1 ZINC000071762312 203111147 /nfs/dbraw/zinc/11/11/47/203111147.db2.gz OQIUQIJXGORTML-KGLIPLIRSA-N 1 1 346.862 3.825 50 0 EHAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3F)C2)o1 ZINC000072139130 203168501 /nfs/dbraw/zinc/16/85/01/203168501.db2.gz HVROTXWODHMZRS-OAHLLOKOSA-N 1 1 344.430 3.623 50 0 EHAAMO Cc1cccc(-c2ncc(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)cn2)c1 ZINC000072143340 203168984 /nfs/dbraw/zinc/16/89/84/203168984.db2.gz XTAYQAUAADWLII-KRWDZBQOSA-N 1 1 336.483 3.511 50 0 EHAAMO O=C1Nc2ccccc2[C@]12CCC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000072164401 203178194 /nfs/dbraw/zinc/17/81/94/203178194.db2.gz BQQGUHPTBSTXHP-OAQYLSRUSA-N 1 1 331.419 3.654 50 0 EHAAMO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000072168221 203180668 /nfs/dbraw/zinc/18/06/68/203180668.db2.gz VAMXLZHMUGUXNV-UHFFFAOYSA-N 1 1 347.462 3.558 50 0 EHAAMO C[C@@H]1C[NH+](CCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 ZINC000020167336 212108536 /nfs/dbraw/zinc/10/85/36/212108536.db2.gz AUKVZJDZUISANR-IAGOWNOFSA-N 1 1 327.424 3.967 50 0 EHAAMO C[N@@H+](Cc1ccc2nsnc2c1)Cc1cccc(-n2cccn2)c1 ZINC000072457857 203227613 /nfs/dbraw/zinc/22/76/13/203227613.db2.gz NATLIRFUQRFTKR-UHFFFAOYSA-N 1 1 335.436 3.509 50 0 EHAAMO O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000072481258 203232914 /nfs/dbraw/zinc/23/29/14/203232914.db2.gz QXJZUJXJFUVCSR-SFHVURJKSA-N 1 1 347.418 3.832 50 0 EHAAMO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000072481258 203232918 /nfs/dbraw/zinc/23/29/18/203232918.db2.gz QXJZUJXJFUVCSR-SFHVURJKSA-N 1 1 347.418 3.832 50 0 EHAAMO C[C@H](C[NH+]1CCOCC1)n1ccnc1-c1cc(Cl)ccc1Cl ZINC000072421446 203220322 /nfs/dbraw/zinc/22/03/22/203220322.db2.gz ISUPVTIMFHSLOG-GFCCVEGCSA-N 1 1 340.254 3.750 50 0 EHAAMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000075142629 203307548 /nfs/dbraw/zinc/30/75/48/203307548.db2.gz RHEBITLETBOUKH-MAUKXSAKSA-N 1 1 326.440 3.571 50 0 EHAAMO c1cnn(CCC2CC[NH+](Cc3c[nH]c(CC4CCCC4)n3)CC2)c1 ZINC000077356583 203383220 /nfs/dbraw/zinc/38/32/20/203383220.db2.gz JKUXQLSHZIMCPD-UHFFFAOYSA-N 1 1 341.503 3.641 50 0 EHAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357599 203383523 /nfs/dbraw/zinc/38/35/23/203383523.db2.gz BXAQUBPULRURCR-KRWDZBQOSA-N 1 1 329.492 3.657 50 0 EHAAMO c1coc(-c2cccc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000077471752 203390213 /nfs/dbraw/zinc/39/02/13/203390213.db2.gz LCLHOUFZXLVLLS-HXUWFJFHSA-N 1 1 340.467 3.633 50 0 EHAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019597531 212050031 /nfs/dbraw/zinc/05/00/31/212050031.db2.gz JSOHNHBDVGATFA-UHFFFAOYSA-N 1 1 329.831 3.690 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1NCc1coc(-c2ccccc2)n1 ZINC000095994149 203791085 /nfs/dbraw/zinc/79/10/85/203791085.db2.gz TZZAHLKWMFQSMC-UHFFFAOYSA-N 1 1 331.379 3.843 50 0 EHAAMO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2F)c(OC)c1OC ZINC000042201822 204076704 /nfs/dbraw/zinc/07/67/04/204076704.db2.gz QKYRLTZABBIYSW-LLVKDONJSA-N 1 1 337.366 3.841 50 0 EHAAMO Cc1[nH+]ccn1CC1(CNC(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000299766297 258081445 /nfs/dbraw/zinc/08/14/45/258081445.db2.gz NAFFUTSOSTXXKV-UHFFFAOYSA-N 1 1 332.835 3.755 50 0 EHAAMO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543692 132195856 /nfs/dbraw/zinc/19/58/56/132195856.db2.gz PFIQLOVTYHYPKT-UHFFFAOYSA-N 1 1 346.858 3.679 50 0 EHAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@@]23C1=O ZINC000012713583 518190934 /nfs/dbraw/zinc/19/09/34/518190934.db2.gz WEZSNFXBQNPHJX-FUDKSRODSA-N 1 1 346.474 3.933 50 0 EHAAMO C[N@@H+](CCCNC(=O)c1ccccc1OC(F)F)Cc1ccccc1 ZINC000025553206 522770315 /nfs/dbraw/zinc/77/03/15/522770315.db2.gz SBTCRBIWZITGLY-UHFFFAOYSA-N 1 1 348.393 3.540 50 0 EHAAMO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1csc(C[NH3+])n1 ZINC000236719565 535168462 /nfs/dbraw/zinc/16/84/62/535168462.db2.gz QYJTYUNQALZBHB-OAHLLOKOSA-N 1 1 337.876 3.725 50 0 EHAAMO COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000216214896 536599424 /nfs/dbraw/zinc/59/94/24/536599424.db2.gz FJZLMLSRFYFARS-AWEZNQCLSA-N 1 1 335.398 3.615 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@@]3(CCCO3)CC2)cc(Cl)c1OC ZINC000215416163 536754615 /nfs/dbraw/zinc/75/46/15/536754615.db2.gz GCDXTPZESBGCPY-GOSISDBHSA-N 1 1 339.863 3.892 50 0 EHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239647 563264978 /nfs/dbraw/zinc/26/49/78/563264978.db2.gz SSZGFUHBLYAGJB-OAHLLOKOSA-N 1 1 342.405 3.786 50 0 EHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2)N3)C1 ZINC000005151284 563521224 /nfs/dbraw/zinc/52/12/24/563521224.db2.gz LDTFDSOEKZQFEV-LZNQSLFOSA-N 1 1 325.437 3.506 50 0 EHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2)N3)C1 ZINC000005151284 563521226 /nfs/dbraw/zinc/52/12/26/563521226.db2.gz LDTFDSOEKZQFEV-LZNQSLFOSA-N 1 1 325.437 3.506 50 0 EHAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000006667567 563577174 /nfs/dbraw/zinc/57/71/74/563577174.db2.gz QYFBKABNKDLAEG-GQCTYLIASA-N 1 1 326.415 3.670 50 0 EHAAMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000006730464 563583926 /nfs/dbraw/zinc/58/39/26/563583926.db2.gz KUOMDVXXLSKCKH-UHFFFAOYSA-N 1 1 343.858 3.732 50 0 EHAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCO)c(C)o2)cc1C ZINC000012027349 563652651 /nfs/dbraw/zinc/65/26/51/563652651.db2.gz HUXPGTPXQYKVSZ-KRWDZBQOSA-N 1 1 344.455 3.704 50 0 EHAAMO Cn1cc(C[N@@H+](C)C[C@H]2CCCCO2)c(-c2cccc(Cl)c2)n1 ZINC000012314836 563657605 /nfs/dbraw/zinc/65/76/05/563657605.db2.gz BDSFAKYLCPRPRS-QGZVFWFLSA-N 1 1 333.863 3.741 50 0 EHAAMO Cc1ccccc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012788789 563671191 /nfs/dbraw/zinc/67/11/91/563671191.db2.gz BPVPEOZVMMBAKS-IBGZPJMESA-N 1 1 326.415 3.586 50 0 EHAAMO Cc1ccccc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012788789 563671194 /nfs/dbraw/zinc/67/11/94/563671194.db2.gz BPVPEOZVMMBAKS-IBGZPJMESA-N 1 1 326.415 3.586 50 0 EHAAMO Oc1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000032668169 563678588 /nfs/dbraw/zinc/67/85/88/563678588.db2.gz SWIPVDHITYZSQW-UHFFFAOYSA-N 1 1 336.357 3.733 50 0 EHAAMO CC(C)CNC(=O)[C@@H](C)Nc1c(-c2ccsc2)[nH+]c2ccccn21 ZINC000064757094 563686047 /nfs/dbraw/zinc/68/60/47/563686047.db2.gz PEFXFIFQLBOANN-CYBMUJFWSA-N 1 1 342.468 3.635 50 0 EHAAMO COc1ccc2c(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC000014095145 563740065 /nfs/dbraw/zinc/74/00/65/563740065.db2.gz XHZGZMJYCXNLAM-LBPRGKRZSA-N 1 1 341.329 3.576 50 0 EHAAMO 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C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(SC(F)F)cc1 ZINC000095422427 564140098 /nfs/dbraw/zinc/14/00/98/564140098.db2.gz IIOZZMKXPQEWEG-CYBMUJFWSA-N 1 1 344.471 3.763 50 0 EHAAMO Cc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cn1 ZINC000096403965 564147190 /nfs/dbraw/zinc/14/71/90/564147190.db2.gz XYHVMTIIQCDTKU-UHFFFAOYSA-N 1 1 339.420 3.532 50 0 EHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 ZINC000057153607 564153314 /nfs/dbraw/zinc/15/33/14/564153314.db2.gz YLLVFNMVCPYWCN-NHCUHLMSSA-N 1 1 349.478 3.657 50 0 EHAAMO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320389 564164292 /nfs/dbraw/zinc/16/42/92/564164292.db2.gz WHLWLIYBOMJCLG-OAHLLOKOSA-N 1 1 346.452 3.541 50 0 EHAAMO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320389 564164293 /nfs/dbraw/zinc/16/42/93/564164293.db2.gz WHLWLIYBOMJCLG-OAHLLOKOSA-N 1 1 346.452 3.541 50 0 EHAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccco1 ZINC000009250750 564171875 /nfs/dbraw/zinc/17/18/75/564171875.db2.gz HABHRLSLLJWNNE-INIZCTEOSA-N 1 1 332.831 3.890 50 0 EHAAMO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nn1 ZINC000191216697 1036351192 /nfs/dbraw/zinc/35/11/92/1036351192.db2.gz KRHDUQQUADQEMT-AWEZNQCLSA-N 1 1 339.443 3.554 50 0 EHAAMO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nn1 ZINC000191216697 1036351208 /nfs/dbraw/zinc/35/12/08/1036351208.db2.gz KRHDUQQUADQEMT-AWEZNQCLSA-N 1 1 339.443 3.554 50 0 EHAAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187306508 1037311364 /nfs/dbraw/zinc/31/13/64/1037311364.db2.gz FHHPYJLPPKEWHC-GOSISDBHSA-N 1 1 344.430 3.535 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)o1 ZINC000257186430 1038472685 /nfs/dbraw/zinc/47/26/85/1038472685.db2.gz ZCLFANMKUBRROU-LJQANCHMSA-N 1 1 326.440 3.822 50 0 EHAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877610 1040887496 /nfs/dbraw/zinc/88/74/96/1040887496.db2.gz XPNBYKIRIXCQFW-FUHWJXTLSA-N 1 1 332.488 3.526 50 0 EHAAMO Cc1c2cc(F)ccc2[nH]c1C(=O)NCCCn1cc[nH+]c1C(C)C ZINC000826604174 1131328610 /nfs/dbraw/zinc/32/86/10/1131328610.db2.gz ITHBJSQFXYPDQT-UHFFFAOYSA-N 1 1 342.418 3.755 50 0 EHAAMO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 ZINC000012305432 1129510101 /nfs/dbraw/zinc/51/01/01/1129510101.db2.gz CORSAWBOPTXJNA-CQSZACIVSA-N 1 1 331.847 3.775 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 ZINC000012305432 1129510104 /nfs/dbraw/zinc/51/01/04/1129510104.db2.gz CORSAWBOPTXJNA-CQSZACIVSA-N 1 1 331.847 3.775 50 0 EHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCCCCCC1)C[C@@H](C)O2 ZINC000014989781 1129593390 /nfs/dbraw/zinc/59/33/90/1129593390.db2.gz IMXATPRVPUKHCU-GOSISDBHSA-N 1 1 344.499 3.761 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)/C=C/c1nc2ccccc2s1 ZINC000823659062 1131074238 /nfs/dbraw/zinc/07/42/38/1131074238.db2.gz FWPPQELDAIDDNH-VAWYXSNFSA-N 1 1 343.496 3.642 50 0 EHAAMO COc1ccc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cc1C ZINC000575549507 1131572635 /nfs/dbraw/zinc/57/26/35/1131572635.db2.gz MTGVOOKOKSOWTF-SFHVURJKSA-N 1 1 325.456 3.833 50 0 EHAAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000581815813 1132372384 /nfs/dbraw/zinc/37/23/84/1132372384.db2.gz IQGXEFGJORXBEJ-GOSISDBHSA-N 1 1 347.503 3.514 50 0 EHAAMO Clc1cccc(Cl)c1-c1noc([C@H]2CCn3cc[nH+]c3C2)n1 ZINC000193153731 1137457667 /nfs/dbraw/zinc/45/76/67/1137457667.db2.gz DZOYYWZBQUQEQO-VIFPVBQESA-N 1 1 335.194 3.970 50 0 EHAAMO COc1ccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000952860678 1137482607 /nfs/dbraw/zinc/48/26/07/1137482607.db2.gz RBNJEFKNOXNYKE-IBGZPJMESA-N 1 1 325.387 3.562 50 0 EHAAMO c1ccc2[nH]c([C@@H]3CCC[N@@H+](C4CSCCSC4)C3)nc2c1 ZINC000952867869 1137483668 /nfs/dbraw/zinc/48/36/68/1137483668.db2.gz ULRGKVWTSVSHNE-CYBMUJFWSA-N 1 1 333.526 3.591 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)[C@@]1(c2cccs2)CC1(C)C ZINC000952966292 1137483955 /nfs/dbraw/zinc/48/39/55/1137483955.db2.gz GYEPCMROFFRYEC-IBGZPJMESA-N 1 1 334.529 3.749 50 0 EHAAMO CCOc1ccc(C[N@H+](C)[C@@H](COC)c2ccccn2)cc1Cl ZINC000952974113 1137484487 /nfs/dbraw/zinc/48/44/87/1137484487.db2.gz LBTSNUUCBFJRNU-KRWDZBQOSA-N 1 1 334.847 3.953 50 0 EHAAMO CCOc1ccc(C[N@@H+](C)[C@@H](COC)c2ccccn2)cc1Cl ZINC000952974113 1137484489 /nfs/dbraw/zinc/48/44/89/1137484489.db2.gz LBTSNUUCBFJRNU-KRWDZBQOSA-N 1 1 334.847 3.953 50 0 EHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000097696167 219048874 /nfs/dbraw/zinc/04/88/74/219048874.db2.gz YSXHHLLMLXLHEC-QGZVFWFLSA-N 1 1 347.466 3.863 50 0 EHAAMO CSc1ccc2cc(C[N@@H+](C)[C@H](C)c3ccncc3)c(=O)[nH]c2c1 ZINC000067491131 215154148 /nfs/dbraw/zinc/15/41/48/215154148.db2.gz HUWPABPVUYRKPH-CYBMUJFWSA-N 1 1 339.464 3.838 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000019237221 202001225 /nfs/dbraw/zinc/00/12/25/202001225.db2.gz LFXXHMAJFHWLHF-UHFFFAOYSA-N 1 1 328.843 3.606 50 0 EHAAMO Cc1nc2c3cc(Cl)ccc3n(CC[NH+]3CCOCC3)c2s1 ZINC000020517832 202048114 /nfs/dbraw/zinc/04/81/14/202048114.db2.gz UXDFQJWQOSDIKI-UHFFFAOYSA-N 1 1 335.860 3.545 50 0 EHAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000022333550 202083586 /nfs/dbraw/zinc/08/35/86/202083586.db2.gz VHKOMGTYSSCWJC-CQSZACIVSA-N 1 1 345.393 3.876 50 0 EHAAMO c1[nH]c2ccccc2c1CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022454838 202085489 /nfs/dbraw/zinc/08/54/89/202085489.db2.gz BUTXFZSOKHLWFQ-UHFFFAOYSA-N 1 1 333.479 3.918 50 0 EHAAMO c1ccc(C[N@H+]2CCC[C@@H](Nc3nncc(-c4ccccc4)n3)C2)cc1 ZINC000023380462 202103145 /nfs/dbraw/zinc/10/31/45/202103145.db2.gz KUXJCPUIHOGROY-LJQANCHMSA-N 1 1 345.450 3.615 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000025360933 202130067 /nfs/dbraw/zinc/13/00/67/202130067.db2.gz SAGDEFUFUSSVHC-HXUWFJFHSA-N 1 1 338.426 3.548 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000025360933 202130070 /nfs/dbraw/zinc/13/00/70/202130070.db2.gz SAGDEFUFUSSVHC-HXUWFJFHSA-N 1 1 338.426 3.548 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000029810368 202191704 /nfs/dbraw/zinc/19/17/04/202191704.db2.gz TUNXAHBRCXSHAW-MRXNPFEDSA-N 1 1 346.377 3.846 50 0 EHAAMO C[N@@H+]1CCN(C(=O)CCn2ccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030007 202193176 /nfs/dbraw/zinc/19/31/76/202193176.db2.gz FJOMJDXEEXPXBC-NRFANRHFSA-N 1 1 347.462 3.547 50 0 EHAAMO C[N@H+]1CCN(C(=O)CCn2ccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030007 202193181 /nfs/dbraw/zinc/19/31/81/202193181.db2.gz FJOMJDXEEXPXBC-NRFANRHFSA-N 1 1 347.462 3.547 50 0 EHAAMO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181558 202193839 /nfs/dbraw/zinc/19/38/39/202193839.db2.gz HIHXFVXOCIMFOE-UHFFFAOYSA-N 1 1 344.455 3.608 50 0 EHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000032804087 202235861 /nfs/dbraw/zinc/23/58/61/202235861.db2.gz CWXOXMNEWZNCPM-IBGZPJMESA-N 1 1 326.440 3.684 50 0 EHAAMO Cc1ccc(CNC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312172 202257193 /nfs/dbraw/zinc/25/71/93/202257193.db2.gz XSWBFMOTXJKMKV-GOSISDBHSA-N 1 1 343.515 3.649 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000069620762 202287642 /nfs/dbraw/zinc/28/76/42/202287642.db2.gz RVDFPKGOWQBTKD-TUNPWDSISA-N 1 1 343.515 3.695 50 0 EHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cc(C)ccc1C)[C@@H](C)CC ZINC000036031950 202313413 /nfs/dbraw/zinc/31/34/13/202313413.db2.gz AMJPXWUZBPWAJA-PKOBYXMFSA-N 1 1 335.488 3.608 50 0 EHAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103511 202316516 /nfs/dbraw/zinc/31/65/16/202316516.db2.gz KSFHUSZMMUAVQX-QGZVFWFLSA-N 1 1 337.460 3.675 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000072267585 202359193 /nfs/dbraw/zinc/35/91/93/202359193.db2.gz JFWXSIUPFQNNGY-LJQANCHMSA-N 1 1 335.455 3.626 50 0 EHAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000229870584 201044542 /nfs/dbraw/zinc/04/45/42/201044542.db2.gz HMKFKASBVMNXAW-HTAPYJJXSA-N 1 1 348.490 3.670 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c(C(C)C)nn1C ZINC000058421772 201143573 /nfs/dbraw/zinc/14/35/73/201143573.db2.gz ICARQPAEXFSAEQ-MRXNPFEDSA-N 1 1 347.434 3.695 50 0 EHAAMO CCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2C)cc1 ZINC000055242907 202685612 /nfs/dbraw/zinc/68/56/12/202685612.db2.gz LMXFUUUCAHJUPA-CYBMUJFWSA-N 1 1 328.416 3.520 50 0 EHAAMO c1nc(C2CCCCC2)ncc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000215753070 241142423 /nfs/dbraw/zinc/14/24/23/241142423.db2.gz ZJAAPSKTLULOJC-UHFFFAOYSA-N 1 1 342.531 3.975 50 0 EHAAMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCCn2ccnc2)cc1 ZINC000215840179 241151247 /nfs/dbraw/zinc/15/12/47/241151247.db2.gz WCQXLJHLHMEEPA-QGZVFWFLSA-N 1 1 336.439 3.550 50 0 EHAAMO Cn1ccnc1CCC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000216192213 241172924 /nfs/dbraw/zinc/17/29/24/241172924.db2.gz JHLQSJNVRBCSSE-UHFFFAOYSA-N 1 1 344.459 3.747 50 0 EHAAMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000227200462 242127564 /nfs/dbraw/zinc/12/75/64/242127564.db2.gz UBWQYEJYEDQQDU-LDRMICATSA-N 1 1 349.478 3.606 50 0 EHAAMO CCc1nnc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000229428239 242164923 /nfs/dbraw/zinc/16/49/23/242164923.db2.gz MNOXVIOIBBGCPO-UONOGXRCSA-N 1 1 335.473 3.562 50 0 EHAAMO CCc1nnc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000229428239 242164927 /nfs/dbraw/zinc/16/49/27/242164927.db2.gz MNOXVIOIBBGCPO-UONOGXRCSA-N 1 1 335.473 3.562 50 0 EHAAMO CSc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000241776860 243001268 /nfs/dbraw/zinc/00/12/68/243001268.db2.gz RTEFOPISLSIBHI-HOCLYGCPSA-N 1 1 333.501 3.665 50 0 EHAAMO Cc1cccc(NC(=O)CC[N@H+](C)[C@H](C)Cc2ncccc2C)c1C ZINC000243885893 243027105 /nfs/dbraw/zinc/02/71/05/243027105.db2.gz ADHFCFHTHMPTJK-QGZVFWFLSA-N 1 1 339.483 3.898 50 0 EHAAMO Clc1ccccc1-c1cc(C2CC[NH+](Cc3ncc[nH]3)CC2)[nH]n1 ZINC000067947611 202948228 /nfs/dbraw/zinc/94/82/28/202948228.db2.gz XQYMGOFGEBVEHM-UHFFFAOYSA-N 1 1 341.846 3.833 50 0 EHAAMO C[C@H]1CCCC[N@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000071769750 203111522 /nfs/dbraw/zinc/11/15/22/203111522.db2.gz RSGZFCYQCKXIQH-SFHVURJKSA-N 1 1 336.479 3.723 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000072117471 203164106 /nfs/dbraw/zinc/16/41/06/203164106.db2.gz DUWGHTJUWJABGQ-UHFFFAOYSA-N 1 1 343.789 3.903 50 0 EHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)NC(C)C)C2)cc1 ZINC000072147067 203171332 /nfs/dbraw/zinc/17/13/32/203171332.db2.gz SBRZBLFOMXRDIB-LJQANCHMSA-N 1 1 331.504 3.557 50 0 EHAAMO CC(C)c1nccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000072152563 203172634 /nfs/dbraw/zinc/17/26/34/203172634.db2.gz LAVPPWRPAVCEKS-UHFFFAOYSA-N 1 1 329.419 3.783 50 0 EHAAMO O[C@@]1(c2ccccc2)CC[N@@H+](CCc2ccccn2)[C@H]2CCCC[C@@H]21 ZINC000072156521 203174551 /nfs/dbraw/zinc/17/45/51/203174551.db2.gz MFNWRRLFBJPJFZ-FDFHNCONSA-N 1 1 336.479 3.776 50 0 EHAAMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000075142632 203307249 /nfs/dbraw/zinc/30/72/49/203307249.db2.gz RHEBITLETBOUKH-YJBOKZPZSA-N 1 1 326.440 3.571 50 0 EHAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3ccnc(C(C)C)n3)C2)c1 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50 0 EHAAMO CCOC(=O)CCCCCCC(=O)c1cccc(C[NH+]2CCC2)c1 ZINC000002515156 563436388 /nfs/dbraw/zinc/43/63/88/563436388.db2.gz VXPBKXQLFJGWSS-UHFFFAOYSA-N 1 1 331.456 3.979 50 0 EHAAMO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(O)c2)Cc2cc(OC)ccc2O1 ZINC000011783940 563650725 /nfs/dbraw/zinc/65/07/25/563650725.db2.gz KDBIAWFLGHOGBO-MRXNPFEDSA-N 1 1 343.423 3.583 50 0 EHAAMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(O)c2)Cc2cc(OC)ccc2O1 ZINC000011783940 563650729 /nfs/dbraw/zinc/65/07/29/563650729.db2.gz KDBIAWFLGHOGBO-MRXNPFEDSA-N 1 1 343.423 3.583 50 0 EHAAMO COc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ccccc2O1 ZINC000012126859 563654365 /nfs/dbraw/zinc/65/43/65/563654365.db2.gz SNJSAQBTDULAFM-NRFANRHFSA-N 1 1 349.434 3.565 50 0 EHAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ccccc2O1 ZINC000012126859 563654367 /nfs/dbraw/zinc/65/43/67/563654367.db2.gz SNJSAQBTDULAFM-NRFANRHFSA-N 1 1 349.434 3.565 50 0 EHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3CCO)c(C)o2)ccc1F ZINC000012297733 563657337 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CC(C)CCSCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000084510790 564068338 /nfs/dbraw/zinc/06/83/38/564068338.db2.gz ZSYLACCRRXEKQB-QGZVFWFLSA-N 1 1 332.513 3.777 50 0 EHAAMO CCc1cnc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2ccnc2)s1 ZINC000561985696 564073000 /nfs/dbraw/zinc/07/30/00/564073000.db2.gz IICMWBCGUBZFLP-IEBWSBKVSA-N 1 1 338.480 3.920 50 0 EHAAMO CCc1cnc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2ccnc2)s1 ZINC000561985698 564073020 /nfs/dbraw/zinc/07/30/20/564073020.db2.gz IICMWBCGUBZFLP-MJGOQNOKSA-N 1 1 338.480 3.920 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCCC2)o1 ZINC000015860199 564076941 /nfs/dbraw/zinc/07/69/41/564076941.db2.gz DYKCMAMCQWYPSR-QGZVFWFLSA-N 1 1 330.403 3.684 50 0 EHAAMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc2cccs2)c(C)c1 ZINC000012932933 564078920 /nfs/dbraw/zinc/07/89/20/564078920.db2.gz HQQDVATUIILPCT-AWEZNQCLSA-N 1 1 345.468 3.534 50 0 EHAAMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2cccs2)c(C)c1 ZINC000012932933 564078921 /nfs/dbraw/zinc/07/89/21/564078921.db2.gz 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ZINC000426414268 564093669 /nfs/dbraw/zinc/09/36/69/564093669.db2.gz GJFGZYOBYJWKNB-GFCCVEGCSA-N 1 1 337.876 3.705 50 0 EHAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCCCSc1ccc(Cl)cc1 ZINC000426414274 564093686 /nfs/dbraw/zinc/09/36/86/564093686.db2.gz GJFGZYOBYJWKNB-LBPRGKRZSA-N 1 1 337.876 3.705 50 0 EHAAMO CCC[N@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000036100592 564096110 /nfs/dbraw/zinc/09/61/10/564096110.db2.gz HLCCWTUDUHSESG-HXUWFJFHSA-N 1 1 327.468 3.955 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)s1 ZINC000036101108 564096122 /nfs/dbraw/zinc/09/61/22/564096122.db2.gz ARLARXAARAEDCR-OAHLLOKOSA-N 1 1 337.485 3.828 50 0 EHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000036489972 564102561 /nfs/dbraw/zinc/10/25/61/564102561.db2.gz OQLLYWLIHPTKFE-BEFAXECRSA-N 1 1 326.415 3.840 50 0 EHAAMO CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C)c1ccc2[nH]ccc2c1 ZINC000170088662 564105433 /nfs/dbraw/zinc/10/54/33/564105433.db2.gz RQYZADQDGMLDLU-UHFFFAOYSA-N 1 1 345.406 3.724 50 0 EHAAMO CCc1cccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000065562556 564106992 /nfs/dbraw/zinc/10/69/92/564106992.db2.gz KRVMGXZWYJUEPI-UHFFFAOYSA-N 1 1 343.496 3.865 50 0 EHAAMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000170591430 564108819 /nfs/dbraw/zinc/10/88/19/564108819.db2.gz QKGRFSXRUWHSTK-CQSZACIVSA-N 1 1 339.361 3.828 50 0 EHAAMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000170591430 564108820 /nfs/dbraw/zinc/10/88/20/564108820.db2.gz QKGRFSXRUWHSTK-CQSZACIVSA-N 1 1 339.361 3.828 50 0 EHAAMO Cn1ccnc1COc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000089761470 564113578 /nfs/dbraw/zinc/11/35/78/564113578.db2.gz XSUVWKRTUFWAGO-UHFFFAOYSA-N 1 1 348.450 3.559 50 0 EHAAMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000252511381 564120090 /nfs/dbraw/zinc/12/00/90/564120090.db2.gz GEEPZPGWBFNJLF-UXHICEINSA-N 1 1 341.499 3.625 50 0 EHAAMO CC(C)CC[C@](O)(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000027346208 564120765 /nfs/dbraw/zinc/12/07/65/564120765.db2.gz UJRBNYNJUHBHGB-SFHVURJKSA-N 1 1 325.880 3.686 50 0 EHAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785471 564123259 /nfs/dbraw/zinc/12/32/59/564123259.db2.gz SZVJCWYYDRTWCP-UHFFFAOYSA-N 1 1 348.450 3.560 50 0 EHAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785471 564123260 /nfs/dbraw/zinc/12/32/60/564123260.db2.gz SZVJCWYYDRTWCP-UHFFFAOYSA-N 1 1 348.450 3.560 50 0 EHAAMO CCOc1ccccc1C(=O)N1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000195539180 564123668 /nfs/dbraw/zinc/12/36/68/564123668.db2.gz QOURIZHLHZTYFR-UHFFFAOYSA-N 1 1 339.439 3.505 50 0 EHAAMO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000253431370 564131833 /nfs/dbraw/zinc/13/18/33/564131833.db2.gz GWCYOXOQMXOOOS-UZLBHIALSA-N 1 1 344.499 3.627 50 0 EHAAMO Cc1cncc(CN2CCC[C@H]([N@@H+](C)Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135578 /nfs/dbraw/zinc/13/55/78/564135578.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 1 1 338.499 3.580 50 0 EHAAMO Cc1cncc(CN(C)[C@H]2CCC[N@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135579 /nfs/dbraw/zinc/13/55/79/564135579.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 1 1 338.499 3.580 50 0 EHAAMO CC[N@@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000095356855 564139279 /nfs/dbraw/zinc/13/92/79/564139279.db2.gz JFQOHTDMQIWPPL-OAQYLSRUSA-N 1 1 334.463 3.645 50 0 EHAAMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000095986366 564143914 /nfs/dbraw/zinc/14/39/14/564143914.db2.gz VYCMFQCEAAHWGU-OAHLLOKOSA-N 1 1 343.393 3.584 50 0 EHAAMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000096444598 564148161 /nfs/dbraw/zinc/14/81/61/564148161.db2.gz SJZFTVRPSZAKPR-OLZOCXBDSA-N 1 1 331.382 3.634 50 0 EHAAMO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055404173 564149766 /nfs/dbraw/zinc/14/97/66/564149766.db2.gz CRDMMPKFDURCLO-KBPBESRZSA-N 1 1 343.446 3.533 50 0 EHAAMO Cc1ccoc1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057586158 564155050 /nfs/dbraw/zinc/15/50/50/564155050.db2.gz UASVFCRVPNPOTN-IYBDPMFKSA-N 1 1 340.467 3.996 50 0 EHAAMO CCC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000057894574 564156474 /nfs/dbraw/zinc/15/64/74/564156474.db2.gz UMYRHPFGZTUEJL-LJQANCHMSA-N 1 1 339.439 3.667 50 0 EHAAMO CCC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000057894574 564156475 /nfs/dbraw/zinc/15/64/75/564156475.db2.gz UMYRHPFGZTUEJL-LJQANCHMSA-N 1 1 339.439 3.667 50 0 EHAAMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000008377814 564164792 /nfs/dbraw/zinc/16/47/92/564164792.db2.gz GWYSIRUQQRUVSX-SFHVURJKSA-N 1 1 334.463 3.789 50 0 EHAAMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000008377814 564164793 /nfs/dbraw/zinc/16/47/93/564164793.db2.gz GWYSIRUQQRUVSX-SFHVURJKSA-N 1 1 334.463 3.789 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)cc2c1C ZINC000040118526 564168141 /nfs/dbraw/zinc/16/81/41/564168141.db2.gz RVGBYELJMTXDNQ-UHFFFAOYSA-N 1 1 345.406 3.926 50 0 EHAAMO C[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000040120489 564168194 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3.899 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)s1 ZINC000091665211 563975687 /nfs/dbraw/zinc/97/56/87/563975687.db2.gz HKTLQIMCAORMGE-GOEBONIOSA-N 1 1 333.526 3.609 50 0 EHAAMO Cc1cccc([C@@H](C(=O)N(C)CCSc2ccccc2)[NH+](C)C)c1 ZINC000091894517 563975827 /nfs/dbraw/zinc/97/58/27/563975827.db2.gz DLYCJCBLYJKNAQ-IBGZPJMESA-N 1 1 342.508 3.848 50 0 EHAAMO COCC[C@]1(O)CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C ZINC000091951373 563975922 /nfs/dbraw/zinc/97/59/22/563975922.db2.gz RYOYTRAHMHQRAQ-DYESRHJHSA-N 1 1 347.499 3.617 50 0 EHAAMO Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091915159 563975932 /nfs/dbraw/zinc/97/59/32/563975932.db2.gz WXFPMDIESSYMLP-SJLPKXTDSA-N 1 1 340.492 3.793 50 0 EHAAMO OCc1cccc(C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC000091915171 563975936 /nfs/dbraw/zinc/97/59/36/563975936.db2.gz BDGATNSYLQUAEB-AWEZNQCLSA-N 1 1 335.369 3.661 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)c2sc(C(C)C)nc2C)[NH+](C)C)o1 ZINC000091985938 563975972 /nfs/dbraw/zinc/97/59/72/563975972.db2.gz ZTKLDIHBTMQUFA-CYBMUJFWSA-N 1 1 335.473 3.509 50 0 EHAAMO CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)o1 ZINC000095365397 563976830 /nfs/dbraw/zinc/97/68/30/563976830.db2.gz UAEDIYPQOPIBNV-RBUKOAKNSA-N 1 1 339.483 3.724 50 0 EHAAMO CCCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)o1 ZINC000095365397 563976831 /nfs/dbraw/zinc/97/68/31/563976831.db2.gz UAEDIYPQOPIBNV-RBUKOAKNSA-N 1 1 339.483 3.724 50 0 EHAAMO CCCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)o1 ZINC000095365397 563976832 /nfs/dbraw/zinc/97/68/32/563976832.db2.gz UAEDIYPQOPIBNV-RBUKOAKNSA-N 1 1 339.483 3.724 50 0 EHAAMO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc2o1 ZINC000095384725 563976901 /nfs/dbraw/zinc/97/69/01/563976901.db2.gz NIMCSTQUTATOKZ-PZJWPPBQSA-N 1 1 347.462 3.924 50 0 EHAAMO O=C(NCc1ccc(Cl)s1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095392351 563976942 /nfs/dbraw/zinc/97/69/42/563976942.db2.gz MDSDRIYQXYQZGW-LBPRGKRZSA-N 1 1 338.860 3.523 50 0 EHAAMO CC(C)c1nc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000097743237 563981841 /nfs/dbraw/zinc/98/18/41/563981841.db2.gz VQXPOSDMOOQKRE-SFHVURJKSA-N 1 1 327.472 3.752 50 0 EHAAMO [NH3+]C[C@@H]1CCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 ZINC000097815038 563981990 /nfs/dbraw/zinc/98/19/90/563981990.db2.gz WPPZWTXUEIRTSE-AWEZNQCLSA-N 1 1 348.849 3.839 50 0 EHAAMO C[N@H+]1CCC[C@H](CNC(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000248119874 563995201 /nfs/dbraw/zinc/99/52/01/563995201.db2.gz JSNCTWAZEPCIQY-GDBMZVCRSA-N 1 1 340.389 3.615 50 0 EHAAMO COCCC[N@H+]1Cc2ccc(NC(=O)c3cc(C)sc3C)cc2C1 ZINC000065530710 563998345 /nfs/dbraw/zinc/99/83/45/563998345.db2.gz JQFALBKJSWZDQY-UHFFFAOYSA-N 1 1 344.480 3.969 50 0 EHAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)c1 ZINC000000523601 564021186 /nfs/dbraw/zinc/02/11/86/564021186.db2.gz MNMXLLKHUOPZLN-JOCHJYFZSA-N 1 1 348.490 3.792 50 0 EHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000105877291 564025342 /nfs/dbraw/zinc/02/53/42/564025342.db2.gz QFYJXEAVNQUNHK-ZWOKBUDYSA-N 1 1 344.499 3.727 50 0 EHAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2CCCC2)cc1 ZINC000048374048 564031640 /nfs/dbraw/zinc/03/16/40/564031640.db2.gz VDRCLYIEJAAOOR-INIZCTEOSA-N 1 1 330.472 3.959 50 0 EHAAMO COC(=O)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000081595498 564034076 /nfs/dbraw/zinc/03/40/76/564034076.db2.gz CBONSBZRIVUYGE-UHFFFAOYSA-N 1 1 330.453 3.797 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)c2)n1 ZINC000252499363 564053509 /nfs/dbraw/zinc/05/35/09/564053509.db2.gz RZIGRMPGEBCEKR-GOSISDBHSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2)n1 ZINC000252499363 564053510 /nfs/dbraw/zinc/05/35/10/564053510.db2.gz RZIGRMPGEBCEKR-GOSISDBHSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2)n1 ZINC000252499363 564053511 /nfs/dbraw/zinc/05/35/11/564053511.db2.gz RZIGRMPGEBCEKR-GOSISDBHSA-N 1 1 335.455 3.592 50 0 EHAAMO O[C@@H](C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000052562251 564054436 /nfs/dbraw/zinc/05/44/36/564054436.db2.gz SJFFCYPRQWBAEB-SFTDATJTSA-N 1 1 336.410 3.766 50 0 EHAAMO O[C@@H](C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000052562251 564054437 /nfs/dbraw/zinc/05/44/37/564054437.db2.gz SJFFCYPRQWBAEB-SFTDATJTSA-N 1 1 336.410 3.766 50 0 EHAAMO Cc1noc([C@H](N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005592 564056612 /nfs/dbraw/zinc/05/66/12/564056612.db2.gz BDXDAQLGZZDSMX-FZKQIMNGSA-N 1 1 339.443 3.920 50 0 EHAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000012494803 564058051 /nfs/dbraw/zinc/05/80/51/564058051.db2.gz HJNSVKDBEAPXGV-WIYYLYMNSA-N 1 1 339.479 3.885 50 0 EHAAMO CCCC[N@H+]1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000003894363 564060292 /nfs/dbraw/zinc/06/02/92/564060292.db2.gz ZHBVPXBHHSJIMN-UNMCSNQZSA-N 1 1 337.463 3.879 50 0 EHAAMO Cc1[nH+]ccn1CC1(CNC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000299770362 564060800 /nfs/dbraw/zinc/06/08/00/564060800.db2.gz QLUZEJYSMRJXSC-UHFFFAOYSA-N 1 1 326.444 3.917 50 0 EHAAMO C[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1cccc2ccccc21 ZINC000053017066 564064177 /nfs/dbraw/zinc/06/41/77/564064177.db2.gz JJRYAFAIARCYNU-UHFFFAOYSA-N 1 1 335.432 3.541 50 0 EHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000012784460 564070198 /nfs/dbraw/zinc/07/01/98/564070198.db2.gz SVKAYOXFMDMLSS-OAHLLOKOSA-N 1 1 349.261 3.998 50 0 EHAAMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NCc3noc(C4CC4)n3)c2C1 ZINC000086205653 564075339 /nfs/dbraw/zinc/07/53/39/564075339.db2.gz TVMGVVOVCWSNKJ-CYBMUJFWSA-N 1 1 326.444 3.919 50 0 EHAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC000239415190 564088118 /nfs/dbraw/zinc/08/81/18/564088118.db2.gz TZCTZRCNJIEPCK-KBPBESRZSA-N 1 1 336.863 3.799 50 0 EHAAMO Cc1noc(C)c1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011172 564088890 /nfs/dbraw/zinc/08/88/90/564088890.db2.gz NMYMSQWIRTZUPA-UHFFFAOYSA-N 1 1 338.411 3.912 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000089289540 564089380 /nfs/dbraw/zinc/08/93/80/564089380.db2.gz NOCGMQSLSSJOOJ-UHFFFAOYSA-N 1 1 339.483 3.694 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000089289540 564089381 /nfs/dbraw/zinc/08/93/81/564089381.db2.gz NOCGMQSLSSJOOJ-UHFFFAOYSA-N 1 1 339.483 3.694 50 0 EHAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000426412841 564093677 /nfs/dbraw/zinc/09/36/77/564093677.db2.gz YHMCPHVTADMWEU-HYVNUMGLSA-N 1 1 343.389 3.864 50 0 EHAAMO CCCCN(Cc1ccc(C)s1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000426596423 564094180 /nfs/dbraw/zinc/09/41/80/564094180.db2.gz CSNMLIAAFQLJSW-INIZCTEOSA-N 1 1 337.533 3.853 50 0 EHAAMO CCC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096982 564095973 /nfs/dbraw/zinc/09/59/73/564095973.db2.gz WJRXJZKIODXEEB-SFHVURJKSA-N 1 1 333.859 3.992 50 0 EHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103326 564096168 /nfs/dbraw/zinc/09/61/68/564096168.db2.gz LUTRVOUZFUNCSZ-GOSISDBHSA-N 1 1 333.497 3.784 50 0 EHAAMO Cc1ccc(C)c(CNC(=O)C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064817961 564096464 /nfs/dbraw/zinc/09/64/64/564096464.db2.gz CBSAPWBQUAKPOS-UHFFFAOYSA-N 1 1 334.463 3.752 50 0 EHAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000006841011 564099400 /nfs/dbraw/zinc/09/94/00/564099400.db2.gz PVXQSPFCNAJXTJ-UHFFFAOYSA-N 1 1 347.256 3.828 50 0 EHAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000006841011 564099401 /nfs/dbraw/zinc/09/94/01/564099401.db2.gz PVXQSPFCNAJXTJ-UHFFFAOYSA-N 1 1 347.256 3.828 50 0 EHAAMO CC(C)C[NH+]1CCN(C(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000065285499 564104353 /nfs/dbraw/zinc/10/43/53/564104353.db2.gz DUKFOHXBICNUJK-UHFFFAOYSA-N 1 1 333.501 3.698 50 0 EHAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(C)=O)ccc21 ZINC000065322330 564105210 /nfs/dbraw/zinc/10/52/10/564105210.db2.gz ZFHSAMAEYOTIGA-UHFFFAOYSA-N 1 1 328.460 3.781 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(C)cc1C ZINC000071823339 564111346 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CN1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000252477853 564119084 /nfs/dbraw/zinc/11/90/84/564119084.db2.gz WLJWOZWZZKPKTJ-ZWKOTPCHSA-N 1 1 327.497 3.869 50 0 EHAAMO CN1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000252477853 564119085 /nfs/dbraw/zinc/11/90/85/564119085.db2.gz WLJWOZWZZKPKTJ-ZWKOTPCHSA-N 1 1 327.497 3.869 50 0 EHAAMO c1ccc(CCC2CC[NH+](Cc3nc(-c4cccnc4)no3)CC2)cc1 ZINC000054635677 564120607 /nfs/dbraw/zinc/12/06/07/564120607.db2.gz IAKUKLKWCGIDBW-UHFFFAOYSA-N 1 1 348.450 3.976 50 0 EHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cccc2c1ccn2C ZINC000253414973 564130678 /nfs/dbraw/zinc/13/06/78/564130678.db2.gz ZGFKIIPXLSTKKE-QFBILLFUSA-N 1 1 339.483 3.515 50 0 biogenic EHAAMO Cc1ccc(C)n1CCCC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253409878 564130684 /nfs/dbraw/zinc/13/06/84/564130684.db2.gz MOUNWOZOZDKKEF-VQTJNVASSA-N 1 1 345.531 3.608 50 0 biogenic EHAAMO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000253431354 564131827 /nfs/dbraw/zinc/13/18/27/564131827.db2.gz GWCYOXOQMXOOOS-JXFKEZNVSA-N 1 1 344.499 3.627 50 0 EHAAMO FCCn1ncnc1C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000253431757 564131854 /nfs/dbraw/zinc/13/18/54/564131854.db2.gz UFTTZMLYFHUSCD-QGZVFWFLSA-N 1 1 336.842 3.922 50 0 EHAAMO Cc1ccc(N2CCC(NC(=O)CCCSC(C)(C)C)CC2)[nH+]c1 ZINC000095436054 564140419 /nfs/dbraw/zinc/14/04/19/564140419.db2.gz OPUDMMKKIHYBHC-UHFFFAOYSA-N 1 1 349.544 3.787 50 0 EHAAMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000095960099 564142670 /nfs/dbraw/zinc/14/26/70/564142670.db2.gz QPNBCVZTVXMEIK-AWEZNQCLSA-N 1 1 341.842 3.743 50 0 EHAAMO Cc1nc2c(s1)[C@H]([NH2+]Cc1nccn1Cc1ccccc1)CCC2 ZINC000095968683 564143257 /nfs/dbraw/zinc/14/32/57/564143257.db2.gz OUZJLEARUCHTHY-MRXNPFEDSA-N 1 1 338.480 3.864 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNc1ncccc1-c1nnc(-c2ccccc2)o1 ZINC000096338970 564146826 /nfs/dbraw/zinc/14/68/26/564146826.db2.gz MROMVFYPJXZZBR-MRXNPFEDSA-N 1 1 349.438 3.695 50 0 EHAAMO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC000096403961 564147220 /nfs/dbraw/zinc/14/72/20/564147220.db2.gz CXAOXQOVIHHGPJ-GFCCVEGCSA-N 1 1 339.420 3.785 50 0 EHAAMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000097238359 564149579 /nfs/dbraw/zinc/14/95/79/564149579.db2.gz QONNYCNODVPBRE-LBPRGKRZSA-N 1 1 346.441 3.586 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccc(Cl)cc1 ZINC000008320373 564164298 /nfs/dbraw/zinc/16/42/98/564164298.db2.gz IVCLQBSYUKAWDM-HNNXBMFYSA-N 1 1 334.872 3.855 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320384 564164323 /nfs/dbraw/zinc/16/43/23/564164323.db2.gz IEOJPZHMQWSJGH-HNNXBMFYSA-N 1 1 330.453 3.841 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320384 564164324 /nfs/dbraw/zinc/16/43/24/564164324.db2.gz IEOJPZHMQWSJGH-HNNXBMFYSA-N 1 1 330.453 3.841 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000040135421 564168323 /nfs/dbraw/zinc/16/83/23/564168323.db2.gz GOVJTDMLYWFASE-OAHLLOKOSA-N 1 1 337.345 3.809 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000040135421 564168324 /nfs/dbraw/zinc/16/83/24/564168324.db2.gz GOVJTDMLYWFASE-OAHLLOKOSA-N 1 1 337.345 3.809 50 0 EHAAMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000069440826 564169497 /nfs/dbraw/zinc/16/94/97/564169497.db2.gz CXLVZIBZXAULSP-INIZCTEOSA-N 1 1 344.455 3.931 50 0 EHAAMO Cc1c(C)n(C)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000006911030 568421006 /nfs/dbraw/zinc/42/10/06/568421006.db2.gz BEXMDGNQJXWHRO-OAHLLOKOSA-N 1 1 341.499 3.789 50 0 EHAAMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000289547832 1018862296 /nfs/dbraw/zinc/86/22/96/1018862296.db2.gz IJUGAZGCXQSSCY-UHFFFAOYSA-N 1 1 325.399 3.722 50 0 EHAAMO CCc1nc([C@@H]2C[N@@H+](CCc3ccccc3)CC23CCCC3)no1 ZINC000257174307 1038297951 /nfs/dbraw/zinc/29/79/51/1038297951.db2.gz FMWMCSAHDBUIEE-KRWDZBQOSA-N 1 1 325.456 3.834 50 0 EHAAMO Cc1nc([C@@H]2CC23CC[NH+](Cc2cccc(Cl)c2F)CC3)no1 ZINC000257187516 1038483170 /nfs/dbraw/zinc/48/31/70/1038483170.db2.gz LUCDGVYTTAIYLJ-ZDUSSCGKSA-N 1 1 335.810 3.940 50 0 EHAAMO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2conc2C)cc1 ZINC000888098460 1043261153 /nfs/dbraw/zinc/26/11/53/1043261153.db2.gz JILRFNSXOZECAR-HNNXBMFYSA-N 1 1 331.460 3.554 50 0 EHAAMO C[N@@H+](Cc1cccs1)[C@@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000011868332 1129088892 /nfs/dbraw/zinc/08/88/92/1129088892.db2.gz BDDOSBHMRQLNJJ-MRXNPFEDSA-N 1 1 346.471 3.900 50 0 EHAAMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)c1cccc(F)c1F ZINC000180046561 1123927130 /nfs/dbraw/zinc/92/71/30/1123927130.db2.gz NBEWBGVGRODYJH-LBPRGKRZSA-N 1 1 333.382 3.678 50 0 EHAAMO CC1CCC([N@@H+](Cc2nnc(C3CCC3)n2C)C[C@H]2CCCO2)CC1 ZINC000181385067 1124801573 /nfs/dbraw/zinc/80/15/73/1124801573.db2.gz GYAKEOMOKCHZIH-VMWRSERWSA-N 1 1 346.519 3.642 50 0 EHAAMO CC1CCC([N@H+](Cc2nnc(C3CCC3)n2C)C[C@H]2CCCO2)CC1 ZINC000181385067 1124801580 /nfs/dbraw/zinc/80/15/80/1124801580.db2.gz GYAKEOMOKCHZIH-VMWRSERWSA-N 1 1 346.519 3.642 50 0 EHAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@H+](C1CCCC1)C2 ZINC000012750443 1129458316 /nfs/dbraw/zinc/45/83/16/1129458316.db2.gz BKGWYJLCZKKDNU-FQEVSTJZSA-N 1 1 330.447 3.583 50 0 EHAAMO C[N@@H+](Cc1cccc2c3ccccc3oc21)C1CCS(=O)(=O)CC1 ZINC000823668494 1131078067 /nfs/dbraw/zinc/07/80/67/1131078067.db2.gz ZJECOIARVXADFW-UHFFFAOYSA-N 1 1 343.448 3.595 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@@H](n3c(C)cnc3C3CCOCC3)C2)s1 ZINC000575548813 1131572457 /nfs/dbraw/zinc/57/24/57/1131572457.db2.gz JSBVSEFSENOWHM-QGZVFWFLSA-N 1 1 345.512 3.902 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000581806312 1132368276 /nfs/dbraw/zinc/36/82/76/1132368276.db2.gz OKXBNDBADTYPJG-LJQANCHMSA-N 1 1 339.483 3.625 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)CC2CCCC2)n1Cc1ccc(F)cc1 ZINC000581816799 1132374981 /nfs/dbraw/zinc/37/49/81/1132374981.db2.gz CNCQFTYJCFFQHX-UHFFFAOYSA-N 1 1 343.446 3.618 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)CCC2CCCC2)n1Cc1ccccc1 ZINC000581817120 1132375068 /nfs/dbraw/zinc/37/50/68/1132375068.db2.gz QRVVSDHDYOZMBU-UHFFFAOYSA-N 1 1 339.483 3.869 50 0 EHAAMO Cc1[nH]c2ccccc2c1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000585129952 1137019504 /nfs/dbraw/zinc/01/95/04/1137019504.db2.gz CSRUBZHXYWIEJT-QGZVFWFLSA-N 1 1 348.450 3.722 50 0 EHAAMO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)C2 ZINC000192442656 1137455786 /nfs/dbraw/zinc/45/57/86/1137455786.db2.gz MYARRQSIXCAQCE-GOSISDBHSA-N 1 1 342.458 3.543 50 0 EHAAMO CNc1nc(C)cc(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000952868098 1137483074 /nfs/dbraw/zinc/48/30/74/1137483074.db2.gz BLGSRYALPUVLLH-GOSISDBHSA-N 1 1 339.487 3.856 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)[C@]1(c2cccs2)CC1(C)C ZINC000952966326 1137483946 /nfs/dbraw/zinc/48/39/46/1137483946.db2.gz GYEPCMROFFRYEC-LJQANCHMSA-N 1 1 334.529 3.749 50 0 EHAAMO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000107299279 1139716882 /nfs/dbraw/zinc/71/68/82/1139716882.db2.gz ALLJBJJUZFWECF-ZDUSSCGKSA-N 1 1 339.361 3.687 50 0 EHAAMO c1csc(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000004541751 210216844 /nfs/dbraw/zinc/21/68/44/210216844.db2.gz TYDCGMVYWOVWIU-UHFFFAOYSA-N 1 1 339.464 3.707 50 0 EHAAMO COc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c2ccccc12 ZINC000019782460 202021023 /nfs/dbraw/zinc/02/10/23/202021023.db2.gz OKZVLNAEBUBABE-UHFFFAOYSA-N 1 1 340.467 3.539 50 0 EHAAMO CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019849979 202024003 /nfs/dbraw/zinc/02/40/03/202024003.db2.gz QLXNDGAQXJRZPO-UHFFFAOYSA-N 1 1 340.492 3.757 50 0 EHAAMO Cc1cc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)ccc1Br ZINC000183856813 235244880 /nfs/dbraw/zinc/24/48/80/235244880.db2.gz PKYGVMBKACXESR-LBPRGKRZSA-N 1 1 349.276 3.536 50 0 EHAAMO OCC[C@H]1CN(Cc2cc3ccccc3s2)CC[N@H+]1C1CCCC1 ZINC000020782769 202054853 /nfs/dbraw/zinc/05/48/53/202054853.db2.gz XKRMECMFVSVQKP-SFHVURJKSA-N 1 1 344.524 3.713 50 0 EHAAMO OCC[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCN1C1CCCC1 ZINC000020782769 202054857 /nfs/dbraw/zinc/05/48/57/202054857.db2.gz XKRMECMFVSVQKP-SFHVURJKSA-N 1 1 344.524 3.713 50 0 EHAAMO OCC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCN1C1CCCC1 ZINC000020782769 202054860 /nfs/dbraw/zinc/05/48/60/202054860.db2.gz XKRMECMFVSVQKP-SFHVURJKSA-N 1 1 344.524 3.713 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCc2ccccc21 ZINC000029483030 202188122 /nfs/dbraw/zinc/18/81/22/202188122.db2.gz UZJZUKCVNLPVGK-HNNXBMFYSA-N 1 1 334.341 3.662 50 0 EHAAMO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030029976 202194181 /nfs/dbraw/zinc/19/41/81/202194181.db2.gz XEQIWFAOEIRURH-OAQYLSRUSA-N 1 1 334.463 3.694 50 0 EHAAMO C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030029976 202194184 /nfs/dbraw/zinc/19/41/84/202194184.db2.gz XEQIWFAOEIRURH-OAQYLSRUSA-N 1 1 334.463 3.694 50 0 EHAAMO CCCO[C@@H]1CCC[N@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000032541606 202226113 /nfs/dbraw/zinc/22/61/13/202226113.db2.gz SCSJYCAIJHKQFO-QGZVFWFLSA-N 1 1 338.442 3.825 50 0 EHAAMO O=c1c2ccccc2ncn1CC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000032577715 202227493 /nfs/dbraw/zinc/22/74/93/202227493.db2.gz WPJSUSAEMWUDBL-QGZVFWFLSA-N 1 1 325.456 3.584 50 0 EHAAMO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000070039579 202302186 /nfs/dbraw/zinc/30/21/86/202302186.db2.gz DAMNKDPSAKOIIB-FQEVSTJZSA-N 1 1 348.450 3.522 50 0 EHAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872124 202296073 /nfs/dbraw/zinc/29/60/73/202296073.db2.gz OXEUUKBYRCYLDP-MSOLQXFVSA-N 1 1 347.528 3.776 50 0 EHAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872124 202296076 /nfs/dbraw/zinc/29/60/76/202296076.db2.gz OXEUUKBYRCYLDP-MSOLQXFVSA-N 1 1 347.528 3.776 50 0 EHAAMO COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2)c1 ZINC000036100073 202314135 /nfs/dbraw/zinc/31/41/35/202314135.db2.gz FJJUEBHXPWYQSB-IBGZPJMESA-N 1 1 343.467 3.593 50 0 EHAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cs1 ZINC000076059657 202388080 /nfs/dbraw/zinc/38/80/80/202388080.db2.gz YRMTYHNPUOXCOL-SNVBAGLBSA-N 1 1 330.379 3.573 50 0 EHAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cs1 ZINC000076059657 202388085 /nfs/dbraw/zinc/38/80/85/202388085.db2.gz YRMTYHNPUOXCOL-SNVBAGLBSA-N 1 1 330.379 3.573 50 0 EHAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2CC(O)C2)CCC4)c1 ZINC000072433328 216227839 /nfs/dbraw/zinc/22/78/39/216227839.db2.gz XQCNXVYUYMVSSH-UHFFFAOYSA-N 1 1 344.458 3.875 50 0 EHAAMO COc1c(C[NH2+][C@H]2CCOc3c(C)cc(C)cc32)c(C(C)C)nn1C ZINC000065593312 201155658 /nfs/dbraw/zinc/15/56/58/201155658.db2.gz ZDKOXJOLMMZWLK-KRWDZBQOSA-N 1 1 343.471 3.782 50 0 EHAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200746 201382515 /nfs/dbraw/zinc/38/25/15/201382515.db2.gz SPITUWXIYADPOV-HNNXBMFYSA-N 1 1 338.411 3.572 50 0 EHAAMO Cn1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000022856217 212329924 /nfs/dbraw/zinc/32/99/24/212329924.db2.gz BGBMDWAOAAGHSZ-UHFFFAOYSA-N 1 1 348.450 3.528 50 0 EHAAMO c1ccc(C2=CC[N@@H+](Cc3cnc(-c4ccccn4)nc3)CC2)cc1 ZINC000215208026 241112474 /nfs/dbraw/zinc/11/24/74/241112474.db2.gz UKESVGRJDATLSF-UHFFFAOYSA-N 1 1 328.419 3.828 50 0 EHAAMO COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OCC=C(C)C ZINC000215913092 241154165 /nfs/dbraw/zinc/15/41/65/241154165.db2.gz NCLAXRWKIDIRQV-UHFFFAOYSA-N 1 1 332.488 3.566 50 0 EHAAMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1Cn1cncn1 ZINC000219286555 241375409 /nfs/dbraw/zinc/37/54/09/241375409.db2.gz OFTZEUXVNGXTOT-AWEZNQCLSA-N 1 1 342.468 3.590 50 0 EHAAMO O=C(CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000244574872 243041764 /nfs/dbraw/zinc/04/17/64/243041764.db2.gz CSTHVAJFPFODTD-CYBMUJFWSA-N 1 1 335.860 3.615 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccccn1 ZINC000069486966 203007551 /nfs/dbraw/zinc/00/75/51/203007551.db2.gz UYNICMVNRLBHPN-PZJWPPBQSA-N 1 1 349.478 3.657 50 0 EHAAMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000069516359 203011653 /nfs/dbraw/zinc/01/16/53/203011653.db2.gz CXQICBHNPLMGOY-OAHLLOKOSA-N 1 1 338.386 3.650 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C)c3cc4ccccc4o3)nc12 ZINC000069529105 203013946 /nfs/dbraw/zinc/01/39/46/203013946.db2.gz DWSRVJNVISBAFC-HNNXBMFYSA-N 1 1 347.418 3.942 50 0 EHAAMO CC(C)c1ocnc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000069704297 203039543 /nfs/dbraw/zinc/03/95/43/203039543.db2.gz LSLJFDGXCJFRSU-UHFFFAOYSA-N 1 1 333.476 3.526 50 0 EHAAMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737742 203041681 /nfs/dbraw/zinc/04/16/81/203041681.db2.gz QCTSNVFIFNSAPH-RYUDHWBXSA-N 1 1 344.286 3.648 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000069973273 203067568 /nfs/dbraw/zinc/06/75/68/203067568.db2.gz FZGLGOXKGRAVOE-UHFFFAOYSA-N 1 1 346.381 3.777 50 0 EHAAMO CC(C)c1nnc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)o1 ZINC000071184891 203087538 /nfs/dbraw/zinc/08/75/38/203087538.db2.gz VOUBLJYYPAVAEF-UHFFFAOYSA-N 1 1 329.444 3.743 50 0 EHAAMO CC(C)=CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000071315706 203091556 /nfs/dbraw/zinc/09/15/56/203091556.db2.gz LNIFZOVNFQNCNZ-KRWDZBQOSA-N 1 1 332.463 3.737 50 0 EHAAMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)NC2CCCCC2)c1 ZINC000071793239 203112986 /nfs/dbraw/zinc/11/29/86/203112986.db2.gz LSBIIZBTLZNOQQ-LJQANCHMSA-N 1 1 330.472 3.671 50 0 EHAAMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCCOc1ccccc1 ZINC000071904283 203144874 /nfs/dbraw/zinc/14/48/74/203144874.db2.gz IISLHEBJVJEDDP-HNNXBMFYSA-N 1 1 338.411 3.594 50 0 EHAAMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCCOc1ccccc1 ZINC000071904283 203144878 /nfs/dbraw/zinc/14/48/78/203144878.db2.gz IISLHEBJVJEDDP-HNNXBMFYSA-N 1 1 338.411 3.594 50 0 EHAAMO CC(C)C[N@@H+](C[C@H](O)c1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000071912079 203148386 /nfs/dbraw/zinc/14/83/86/203148386.db2.gz MZKVMPOGWXOPGN-YOEHRIQHSA-N 1 1 329.444 3.700 50 0 EHAAMO Cn1ccc2cc(C[N@H+](Cc3cccnc3)C3CCN(C)CC3)ccc21 ZINC000072150144 203173366 /nfs/dbraw/zinc/17/33/66/203173366.db2.gz JXHQZXNVUZSZBH-UHFFFAOYSA-N 1 1 348.494 3.670 50 0 EHAAMO Cn1ccc2cc(C[N@@H+](Cc3cccnc3)C3CCN(C)CC3)ccc21 ZINC000072150144 203173370 /nfs/dbraw/zinc/17/33/70/203173370.db2.gz JXHQZXNVUZSZBH-UHFFFAOYSA-N 1 1 348.494 3.670 50 0 EHAAMO CSc1ccc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000072162691 203177994 /nfs/dbraw/zinc/17/79/94/203177994.db2.gz UIQWCJLSCFPRKU-GOSISDBHSA-N 1 1 328.481 3.985 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H](C)c2ccccn2)c(F)c1 ZINC000072426056 203221399 /nfs/dbraw/zinc/22/13/99/203221399.db2.gz CHUHAOYKVGVOAU-CYBMUJFWSA-N 1 1 340.402 3.812 50 0 EHAAMO COc1c2c(cc3c1[C@H](CC(=O)CCC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111841 212103414 /nfs/dbraw/zinc/10/34/14/212103414.db2.gz ZNKHGLPRSPFOGY-INIZCTEOSA-N 1 1 345.439 3.659 50 0 biogenic EHAAMO COc1c2c(cc3c1[C@H](CC(=O)CCC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111841 212103416 /nfs/dbraw/zinc/10/34/16/212103416.db2.gz ZNKHGLPRSPFOGY-INIZCTEOSA-N 1 1 345.439 3.659 50 0 biogenic EHAAMO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)n1 ZINC000075142026 203307432 /nfs/dbraw/zinc/30/74/32/203307432.db2.gz QVXGDWSTHMOPAG-QGZVFWFLSA-N 1 1 349.438 3.517 50 0 EHAAMO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)n1 ZINC000075142026 203307434 /nfs/dbraw/zinc/30/74/34/203307434.db2.gz QVXGDWSTHMOPAG-QGZVFWFLSA-N 1 1 349.438 3.517 50 0 EHAAMO c1csc(C[N@H+]2CCCN(c3noc(-c4ccccc4)n3)CC2)c1 ZINC000077407685 203387574 /nfs/dbraw/zinc/38/75/74/203387574.db2.gz UEMHZHHCMGRBHH-UHFFFAOYSA-N 1 1 340.452 3.510 50 0 EHAAMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000044973384 204311470 /nfs/dbraw/zinc/31/14/70/204311470.db2.gz BANDFVOPDKPZAX-UHFFFAOYSA-N 1 1 345.487 3.865 50 0 EHAAMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157042634 206112562 /nfs/dbraw/zinc/11/25/62/206112562.db2.gz AMBUDGJKUAXCDO-JSGCOSHPSA-N 1 1 335.835 3.883 50 0 EHAAMO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157042634 206112567 /nfs/dbraw/zinc/11/25/67/206112567.db2.gz AMBUDGJKUAXCDO-JSGCOSHPSA-N 1 1 335.835 3.883 50 0 EHAAMO CC[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1cccs1 ZINC000175945999 207175715 /nfs/dbraw/zinc/17/57/15/207175715.db2.gz TXRAQFFTGJQPJP-GJZGRUSLSA-N 1 1 332.473 3.578 50 0 EHAAMO O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CCc2ccccc2C1 ZINC000013023304 207270314 /nfs/dbraw/zinc/27/03/14/207270314.db2.gz JKDXRYRJBCGFIQ-NRFANRHFSA-N 1 1 333.431 3.638 50 0 EHAAMO COc1cc(C[N@H+]2CCCC3(CCOCC3)C2)cc(Cl)c1OC ZINC000097532383 219034291 /nfs/dbraw/zinc/03/42/91/219034291.db2.gz SDBBYAWEVKWHED-UHFFFAOYSA-N 1 1 339.863 3.750 50 0 EHAAMO C[N@@H+](Cc1cccc2[nH]ccc21)C1CCN(CCc2ccccn2)CC1 ZINC000092645376 258013778 /nfs/dbraw/zinc/01/37/78/258013778.db2.gz SFYCHDGDIIGMSP-UHFFFAOYSA-N 1 1 348.494 3.702 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)Nc1cccnc1Cl ZINC000299792745 258098276 /nfs/dbraw/zinc/09/82/76/258098276.db2.gz FQBFGSGZAHXAIE-CYBMUJFWSA-N 1 1 336.867 3.511 50 0 EHAAMO CC[N@H+]1CCC[C@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 ZINC000299757577 258075244 /nfs/dbraw/zinc/07/52/44/258075244.db2.gz KFLZKXJJGVIDCL-SFHVURJKSA-N 1 1 339.430 3.530 50 0 EHAAMO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c1 ZINC000036396716 132392156 /nfs/dbraw/zinc/39/21/56/132392156.db2.gz YNBALKJALFSKIU-IBGZPJMESA-N 1 1 330.859 3.504 50 0 EHAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000020600041 135721756 /nfs/dbraw/zinc/72/17/56/135721756.db2.gz UUQMHHCHHWVABQ-LJQANCHMSA-N 1 1 345.506 3.745 50 0 EHAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100376 524381158 /nfs/dbraw/zinc/38/11/58/524381158.db2.gz YDRPBKQNZZSHJO-HXUWFJFHSA-N 1 1 327.468 3.893 50 0 EHAAMO C[C@H](NC(=S)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000242047982 525275339 /nfs/dbraw/zinc/27/53/39/525275339.db2.gz VRTMGQLBDBUGCZ-ZMMAXQRCSA-N 1 1 345.556 3.959 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215308830 535560322 /nfs/dbraw/zinc/56/03/22/535560322.db2.gz FQZAYLLIESGHNE-CQSZACIVSA-N 1 1 334.847 3.538 50 0 EHAAMO CCc1cccc(C)c1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000244884036 535861069 /nfs/dbraw/zinc/86/10/69/535861069.db2.gz YDYOSWMUXLSKKZ-GOSISDBHSA-N 1 1 332.488 3.777 50 0 EHAAMO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000000238672 563264500 /nfs/dbraw/zinc/26/45/00/563264500.db2.gz BAHKIASSFRAQOP-UHFFFAOYSA-N 1 1 340.467 3.643 50 0 EHAAMO Cc1csc(CN(C)C(=O)c2cccc(-c3[nH+]c(C)[nH]c3C)c2)n1 ZINC000584903703 563417998 /nfs/dbraw/zinc/41/79/98/563417998.db2.gz MYVCALOGIVQUNH-UHFFFAOYSA-N 1 1 340.452 3.731 50 0 EHAAMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000004866012 563514338 /nfs/dbraw/zinc/51/43/38/563514338.db2.gz ZNEPOTRXHLODMA-UHFFFAOYSA-N 1 1 343.858 3.653 50 0 EHAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000011819573 563651272 /nfs/dbraw/zinc/65/12/72/563651272.db2.gz JTURJHJNPZBHPM-MRXNPFEDSA-N 1 1 344.459 3.920 50 0 EHAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](CCO)C(C)C ZINC000012005406 563652326 /nfs/dbraw/zinc/65/23/26/563652326.db2.gz JPVNPPABNHUHJJ-UHFFFAOYSA-N 1 1 342.361 3.872 50 0 EHAAMO CN(C(=O)C1CCCC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011951705 563652427 /nfs/dbraw/zinc/65/24/27/563652427.db2.gz KQSYXSBSVLWTNH-FQEVSTJZSA-N 1 1 328.500 3.732 50 0 EHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000012025870 563652683 /nfs/dbraw/zinc/65/26/83/563652683.db2.gz KXUFGOBGMCJJBH-KRWDZBQOSA-N 1 1 343.496 3.590 50 0 EHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521160 563786122 /nfs/dbraw/zinc/78/61/22/563786122.db2.gz SVCVAKXLYZDQFV-GFCCVEGCSA-N 1 1 346.814 3.528 50 0 EHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521160 563786124 /nfs/dbraw/zinc/78/61/24/563786124.db2.gz SVCVAKXLYZDQFV-GFCCVEGCSA-N 1 1 346.814 3.528 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000015860014 563796558 /nfs/dbraw/zinc/79/65/58/563796558.db2.gz PQOIYSXPVIUNPO-INIZCTEOSA-N 1 1 332.831 3.890 50 0 EHAAMO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000019743229 563857021 /nfs/dbraw/zinc/85/70/21/563857021.db2.gz YVCBPWXTVRNUHL-OAQYLSRUSA-N 1 1 327.516 3.606 50 0 EHAAMO Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000013282326 563874730 /nfs/dbraw/zinc/87/47/30/563874730.db2.gz BFQQHTILCQZRGX-UHFFFAOYSA-N 1 1 336.342 3.964 50 0 EHAAMO COc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000028707430 563903959 /nfs/dbraw/zinc/90/39/59/563903959.db2.gz HETBQLINELLDIF-UHFFFAOYSA-N 1 1 349.434 3.672 50 0 EHAAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000055413558 563934768 /nfs/dbraw/zinc/93/47/68/563934768.db2.gz RFHLWIUMAJJWIW-CQSZACIVSA-N 1 1 331.441 3.504 50 0 EHAAMO COCC[N@H+](Cc1cccs1)Cc1coc2ccc(C)cc2c1=O ZINC000055414751 563934843 /nfs/dbraw/zinc/93/48/43/563934843.db2.gz LYRDDMWBVVVAIC-UHFFFAOYSA-N 1 1 343.448 3.812 50 0 EHAAMO COCC[N@@H+](Cc1cccs1)Cc1coc2ccc(C)cc2c1=O ZINC000055414751 563934844 /nfs/dbraw/zinc/93/48/44/563934844.db2.gz LYRDDMWBVVVAIC-UHFFFAOYSA-N 1 1 343.448 3.812 50 0 EHAAMO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000065370101 563958389 /nfs/dbraw/zinc/95/83/89/563958389.db2.gz JRCZOOHMGMZUJW-INIZCTEOSA-N 1 1 340.471 3.838 50 0 EHAAMO CCCn1ccnc1C[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065526419 563961786 /nfs/dbraw/zinc/96/17/86/563961786.db2.gz VMRDOBFFVWSDBZ-IBGZPJMESA-N 1 1 347.466 3.740 50 0 EHAAMO COCC[C@H]1CCCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067540161 563962333 /nfs/dbraw/zinc/96/23/33/563962333.db2.gz ZUHCISXYUSWUEB-MRXNPFEDSA-N 1 1 334.847 3.573 50 0 EHAAMO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067676658 563962457 /nfs/dbraw/zinc/96/24/57/563962457.db2.gz LKWRPEGALAIBQQ-LBPRGKRZSA-N 1 1 342.424 3.576 50 0 EHAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067676658 563962458 /nfs/dbraw/zinc/96/24/58/563962458.db2.gz LKWRPEGALAIBQQ-LBPRGKRZSA-N 1 1 342.424 3.576 50 0 EHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(Cl)cncc1Cl)C2 ZINC000091537096 563975494 /nfs/dbraw/zinc/97/54/94/563975494.db2.gz XSLBUYSVRPWBIU-QWHCGFSZSA-N 1 1 328.287 3.695 50 0 EHAAMO CC(=O)c1cc(C[N@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)cs1 ZINC000091724526 563975731 /nfs/dbraw/zinc/97/57/31/563975731.db2.gz HCZUBFGFLYHGMI-INIZCTEOSA-N 1 1 329.465 3.508 50 0 EHAAMO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)ccc2[nH]1 ZINC000092062276 563976072 /nfs/dbraw/zinc/97/60/72/563976072.db2.gz UPDWBBCGECELTJ-GHTZIAJQSA-N 1 1 346.478 3.659 50 0 EHAAMO c1cc2cc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccn3)C4)ccc2[nH]1 ZINC000092062276 563976073 /nfs/dbraw/zinc/97/60/73/563976073.db2.gz UPDWBBCGECELTJ-GHTZIAJQSA-N 1 1 346.478 3.659 50 0 EHAAMO c1cc2cc(CN3C[C@H]4CC[C@@H]3C[N@@H+](Cc3ccccn3)C4)ccc2[nH]1 ZINC000092062276 563976074 /nfs/dbraw/zinc/97/60/74/563976074.db2.gz UPDWBBCGECELTJ-GHTZIAJQSA-N 1 1 346.478 3.659 50 0 EHAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000095369825 563976785 /nfs/dbraw/zinc/97/67/85/563976785.db2.gz FRHXFZCUTXIUKU-AWEZNQCLSA-N 1 1 346.368 3.725 50 0 EHAAMO C[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000095391058 563976920 /nfs/dbraw/zinc/97/69/20/563976920.db2.gz CDNMXHHAYCVCBN-OAHLLOKOSA-N 1 1 344.430 3.824 50 0 EHAAMO Cc1n[nH]c(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1Cl ZINC000097173287 563981369 /nfs/dbraw/zinc/98/13/69/563981369.db2.gz KDVUFJYHVFCJKY-CYBMUJFWSA-N 1 1 343.862 3.703 50 0 EHAAMO Cc1n[nH]c(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1Cl ZINC000097173287 563981370 /nfs/dbraw/zinc/98/13/70/563981370.db2.gz KDVUFJYHVFCJKY-CYBMUJFWSA-N 1 1 343.862 3.703 50 0 EHAAMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365818 563993390 /nfs/dbraw/zinc/99/33/90/563993390.db2.gz QDPHAJQAFUVOOM-KBPBESRZSA-N 1 1 343.456 3.610 50 0 EHAAMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365818 563993391 /nfs/dbraw/zinc/99/33/91/563993391.db2.gz QDPHAJQAFUVOOM-KBPBESRZSA-N 1 1 343.456 3.610 50 0 EHAAMO O=C(CCc1ccc(Cl)s1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044314975 563995075 /nfs/dbraw/zinc/99/50/75/563995075.db2.gz MNAAOKZTQMPKNJ-HNNXBMFYSA-N 1 1 348.899 3.725 50 0 EHAAMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000051058633 564014510 /nfs/dbraw/zinc/01/45/10/564014510.db2.gz YLSJQJDEKIOTRR-AWEZNQCLSA-N 1 1 337.533 3.569 50 0 EHAAMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000051058633 564014511 /nfs/dbraw/zinc/01/45/11/564014511.db2.gz YLSJQJDEKIOTRR-AWEZNQCLSA-N 1 1 337.533 3.569 50 0 EHAAMO C[C@H]1CCc2c(sc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)C1 ZINC000005695597 564019166 /nfs/dbraw/zinc/01/91/66/564019166.db2.gz CXQXXUANQFBUAC-LBPRGKRZSA-N 1 1 345.512 3.874 50 0 EHAAMO CC(C)COc1ccc(C(=S)N2CC[NH+](C)CC2)c2ccccc12 ZINC000101182976 564019277 /nfs/dbraw/zinc/01/92/77/564019277.db2.gz FRBSANJVBIDFBN-UHFFFAOYSA-N 1 1 342.508 3.798 50 0 EHAAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000012332116 564034152 /nfs/dbraw/zinc/03/41/52/564034152.db2.gz QEROHKAAGUMTKZ-UHFFFAOYSA-N 1 1 336.357 3.697 50 0 EHAAMO COc1ccc([C@H]2CCN(c3cc[nH+]cc3Br)C2)cc1 ZINC000225405510 564046492 /nfs/dbraw/zinc/04/64/92/564046492.db2.gz QTDIQKWVEHOFDX-ZDUSSCGKSA-N 1 1 333.229 3.847 50 0 EHAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cccc3ccccc32)c1 ZINC000003349538 564059361 /nfs/dbraw/zinc/05/93/61/564059361.db2.gz HVKBKRGTSBZODE-UHFFFAOYSA-N 1 1 334.419 3.919 50 0 EHAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cccc3ccccc32)c1 ZINC000003349538 564059362 /nfs/dbraw/zinc/05/93/62/564059362.db2.gz HVKBKRGTSBZODE-UHFFFAOYSA-N 1 1 334.419 3.919 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000035052970 564060626 /nfs/dbraw/zinc/06/06/26/564060626.db2.gz SDCHXRFZDLZQFR-MJGOQNOKSA-N 1 1 325.452 3.968 50 0 EHAAMO COc1ccc(NC(=O)O[C@H](C[NH+]2CCCCC2)C(F)(F)F)cc1 ZINC000001392964 564064602 /nfs/dbraw/zinc/06/46/02/564064602.db2.gz UZGIVDKRSDUBNE-CQSZACIVSA-N 1 1 346.349 3.661 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000012747845 564065953 /nfs/dbraw/zinc/06/59/53/564065953.db2.gz DAHDXNLRCSAEQD-ZDUSSCGKSA-N 1 1 334.510 3.607 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@H]3C3CCCCC3)cc(=O)n12 ZINC000053211357 564073381 /nfs/dbraw/zinc/07/33/81/564073381.db2.gz NTPDBQQHDPKQES-INIZCTEOSA-N 1 1 331.485 3.609 50 0 EHAAMO CCC[N@H+]1CC[C@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000053408868 564081659 /nfs/dbraw/zinc/08/16/59/564081659.db2.gz GLAGPJGXYVGUII-GOSISDBHSA-N 1 1 328.500 3.573 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000239654000 564088187 /nfs/dbraw/zinc/08/81/87/564088187.db2.gz BMCHPPYMWVMZIL-FCEWJHQRSA-N 1 1 330.472 3.622 50 0 EHAAMO CCOc1ccc(NC(=S)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000241515743 564088361 /nfs/dbraw/zinc/08/83/61/564088361.db2.gz OHQMANMYSVAPKK-HUUCEWRRSA-N 1 1 335.517 3.635 50 0 EHAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000243932518 564088548 /nfs/dbraw/zinc/08/85/48/564088548.db2.gz BWSBEPRSVTVIBO-SFTDATJTSA-N 1 1 328.500 3.924 50 0 EHAAMO O=C(CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)N1CCCC1 ZINC000092057156 564088817 /nfs/dbraw/zinc/08/88/17/564088817.db2.gz DDYRHVTURPUTOP-UHFFFAOYSA-N 1 1 338.854 3.704 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3cc(C(C)C)on3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426442530 564093770 /nfs/dbraw/zinc/09/37/70/564093770.db2.gz KWGRZRWYLRFOTA-YZGWKJHDSA-N 1 1 348.487 3.737 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)c1cc2cc(F)ccc2o1 ZINC000426739131 564094499 /nfs/dbraw/zinc/09/44/99/564094499.db2.gz XLNCJAPCMMQPGJ-CYBMUJFWSA-N 1 1 330.403 3.566 50 0 EHAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000065477553 564106284 /nfs/dbraw/zinc/10/62/84/564106284.db2.gz BSQMBNPNYXCCKN-FQEVSTJZSA-N 1 1 338.451 3.971 50 0 EHAAMO CCc1cc2c(C[N@H+](C)Cc3ccccc3F)cc(=O)oc2cc1O ZINC000007421742 564108341 /nfs/dbraw/zinc/10/83/41/564108341.db2.gz ZDAOTVRSBOLNNA-UHFFFAOYSA-N 1 1 341.382 3.832 50 0 EHAAMO CCc1cc2c(C[N@@H+](C)Cc3ccccc3F)cc(=O)oc2cc1O ZINC000007421742 564108342 /nfs/dbraw/zinc/10/83/42/564108342.db2.gz ZDAOTVRSBOLNNA-UHFFFAOYSA-N 1 1 341.382 3.832 50 0 EHAAMO NC(=O)[C@H]1CCC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000170598156 564109191 /nfs/dbraw/zinc/10/91/91/564109191.db2.gz ICYMZLBZVILRFJ-ZDUSSCGKSA-N 1 1 329.271 3.513 50 0 EHAAMO Cc1cc2oc(=O)cc(C[N@H+]([C@@H](C)CO)C3CCCC3)c2cc1C ZINC000170607230 564109599 /nfs/dbraw/zinc/10/95/99/564109599.db2.gz DKGGRELFCFLCJZ-HNNXBMFYSA-N 1 1 329.440 3.535 50 0 EHAAMO O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834926 564114114 /nfs/dbraw/zinc/11/41/14/564114114.db2.gz UPKGNRFSSYIUCS-FQEVSTJZSA-N 1 1 346.434 3.680 50 0 EHAAMO Fc1cccc(OCC[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000089875046 564114670 /nfs/dbraw/zinc/11/46/70/564114670.db2.gz RRSMFWBDPJCGRS-UHFFFAOYSA-N 1 1 328.412 3.914 50 0 EHAAMO COc1ccc([C@H](C)[NH2+]Cc2cn3cccc(C)c3n2)c(OC)c1 ZINC000090044869 564116216 /nfs/dbraw/zinc/11/62/16/564116216.db2.gz SFVAWOYXBYZIMH-AWEZNQCLSA-N 1 1 325.412 3.511 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000252486147 564119368 /nfs/dbraw/zinc/11/93/68/564119368.db2.gz FTFUAJAEUGQSQX-NWDGAFQWSA-N 1 1 330.448 3.567 50 0 EHAAMO CCCOc1ccc(Cc2c(Cl)nc(SC)[nH+]c2NN)cc1 ZINC000002314046 564132173 /nfs/dbraw/zinc/13/21/73/564132173.db2.gz RFPZFXYNZBOFHU-UHFFFAOYSA-N 1 1 338.864 3.517 50 0 EHAAMO C[N@@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657555 564135454 /nfs/dbraw/zinc/13/54/54/564135454.db2.gz NINCEUANGIAEBE-CGJBRMOZSA-N 1 1 349.559 3.683 50 0 biogenic EHAAMO COC[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)o1 ZINC000095968827 564143266 /nfs/dbraw/zinc/14/32/66/564143266.db2.gz NYHUFFLBSLTLMD-RHSMWYFYSA-N 1 1 344.411 3.583 50 0 EHAAMO CC(C)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977822 564143595 /nfs/dbraw/zinc/14/35/95/564143595.db2.gz FFKSPTIXWZPDAW-XJKSGUPXSA-N 1 1 341.858 3.522 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1NCc1cnc2c(cnn2C(C)C)c1 ZINC000095994150 564144216 /nfs/dbraw/zinc/14/42/16/564144216.db2.gz BGVOPGFFVNLZPW-UHFFFAOYSA-N 1 1 347.426 3.513 50 0 EHAAMO C[N@H+](Cc1cnc(-c2cccnc2)s1)Cc1ccc2c(c1)OCO2 ZINC000096489487 564148739 /nfs/dbraw/zinc/14/87/39/564148739.db2.gz LFLSUVDLQRIMCU-UHFFFAOYSA-N 1 1 339.420 3.566 50 0 EHAAMO C[N@@H+](Cc1cnc(-c2cccnc2)s1)Cc1ccc2c(c1)OCO2 ZINC000096489487 564148740 /nfs/dbraw/zinc/14/87/40/564148740.db2.gz LFLSUVDLQRIMCU-UHFFFAOYSA-N 1 1 339.420 3.566 50 0 EHAAMO CCCCOc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000097013564 564149121 /nfs/dbraw/zinc/14/91/21/564149121.db2.gz AKPREPBZSNPGQN-JKSUJKDBSA-N 1 1 345.487 3.921 50 0 EHAAMO CSc1ccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2F)cc1 ZINC000002664072 564152091 /nfs/dbraw/zinc/15/20/91/564152091.db2.gz CTTLDHGLOBTJPN-QGZVFWFLSA-N 1 1 349.471 3.557 50 0 EHAAMO COc1cccc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)c1 ZINC000003058365 564154774 /nfs/dbraw/zinc/15/47/74/564154774.db2.gz XNZHMNKAIBDCTI-UHFFFAOYSA-N 1 1 347.528 3.731 50 0 EHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315293 564161646 /nfs/dbraw/zinc/16/16/46/564161646.db2.gz XSRFHSULIRXQDP-MRXNPFEDSA-N 1 1 348.450 3.689 50 0 EHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315293 564161647 /nfs/dbraw/zinc/16/16/47/564161647.db2.gz XSRFHSULIRXQDP-MRXNPFEDSA-N 1 1 348.450 3.689 50 0 EHAAMO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320390 564164334 /nfs/dbraw/zinc/16/43/34/564164334.db2.gz WHLWLIYBOMJCLG-HNNXBMFYSA-N 1 1 346.452 3.541 50 0 EHAAMO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320390 564164335 /nfs/dbraw/zinc/16/43/35/564164335.db2.gz WHLWLIYBOMJCLG-HNNXBMFYSA-N 1 1 346.452 3.541 50 0 EHAAMO c1csc(-c2cc(CN3CC[NH+](Cc4ccccc4)CC3)no2)c1 ZINC000039987667 564167758 /nfs/dbraw/zinc/16/77/58/564167758.db2.gz UHGMPIOEIMXTLA-UHFFFAOYSA-N 1 1 339.464 3.721 50 0 EHAAMO CCOc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc(C)on2)cc1 ZINC000039987634 564167764 /nfs/dbraw/zinc/16/77/64/564167764.db2.gz IENWHOGECGOBKN-QGZVFWFLSA-N 1 1 343.427 3.547 50 0 EHAAMO c1ncn(C[C@H]2CCCC[N@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000069599140 564170852 /nfs/dbraw/zinc/17/08/52/564170852.db2.gz KHDCAVACIKIDPK-GOSISDBHSA-N 1 1 349.438 3.520 50 0 EHAAMO Cc1cnc(C[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787416 1032649150 /nfs/dbraw/zinc/64/91/50/1032649150.db2.gz QQYNOSOTYKFBFM-INIZCTEOSA-N 1 1 345.437 3.944 50 0 EHAAMO Cc1cnc(C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787416 1032649159 /nfs/dbraw/zinc/64/91/59/1032649159.db2.gz QQYNOSOTYKFBFM-INIZCTEOSA-N 1 1 345.437 3.944 50 0 EHAAMO CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289957395 1020778967 /nfs/dbraw/zinc/77/89/67/1020778967.db2.gz WIEOEMLYMOPVCA-INIZCTEOSA-N 1 1 347.434 3.579 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)Nc3ccccc3F)C2)n1C1CC1 ZINC000581806149 1035610289 /nfs/dbraw/zinc/61/02/89/1035610289.db2.gz UFZOQJDTWOTOIB-AWEZNQCLSA-N 1 1 342.418 3.762 50 0 EHAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000000216988 1035768446 /nfs/dbraw/zinc/76/84/46/1035768446.db2.gz VTRQEQALPXRJSG-UHFFFAOYSA-N 1 1 338.220 3.583 50 0 EHAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000348880861 1040345042 /nfs/dbraw/zinc/34/50/42/1040345042.db2.gz WBMDPDYKEOWGFA-UHFFFAOYSA-N 1 1 329.469 3.596 50 0 EHAAMO CCCCOc1ccc(C=Cc2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)cc1 ZINC000253630365 1041056322 /nfs/dbraw/zinc/05/63/22/1041056322.db2.gz XJRYLJNZQRKQBY-JXMROGBWSA-N 1 1 339.439 3.519 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)NCc1ccccc1F ZINC000222238410 1043042487 /nfs/dbraw/zinc/04/24/87/1043042487.db2.gz BGMSLRBRGRRNDZ-SYGIOELKSA-N 1 1 338.426 3.620 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)NCc1ccccc1F ZINC000222238410 1043042490 /nfs/dbraw/zinc/04/24/90/1043042490.db2.gz BGMSLRBRGRRNDZ-SYGIOELKSA-N 1 1 338.426 3.620 50 0 EHAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000011665434 1128856174 /nfs/dbraw/zinc/85/61/74/1128856174.db2.gz TWXPQRAMEFKBKS-IBGZPJMESA-N 1 1 338.451 3.964 50 0 EHAAMO C[C@H]([NH2+]Cc1c(Br)c2ccccc2n1C)c1cnn(C)c1 ZINC000873060179 1121560022 /nfs/dbraw/zinc/56/00/22/1121560022.db2.gz DJYWBHUWPOPTRY-NSHDSACASA-N 1 1 347.260 3.525 50 0 EHAAMO c1ccc(Oc2cccc(C[NH+]3CCN(c4ncccn4)CC3)c2)cc1 ZINC000019537020 1129586406 /nfs/dbraw/zinc/58/64/06/1129586406.db2.gz BPMDOEKEGAMMDX-UHFFFAOYSA-N 1 1 346.434 3.591 50 0 EHAAMO O=C(NCc1ccsc1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647588 1131390972 /nfs/dbraw/zinc/39/09/72/1131390972.db2.gz PDBYCPGAEWTPRI-QGZVFWFLSA-N 1 1 332.444 3.731 50 0 EHAAMO Cc1ccc[nH+]c1NCCNC(=O)C[C@@H](c1ccco1)c1ccccc1 ZINC000827802702 1131407085 /nfs/dbraw/zinc/40/70/85/1131407085.db2.gz UQQRBLZCFJVDDR-GOSISDBHSA-N 1 1 349.434 3.733 50 0 EHAAMO Cc1cccc(CN2CC[C@@H]([N@@H+](C)Cc3ccco3)CCC2=O)c1 ZINC000012455420 1129944427 /nfs/dbraw/zinc/94/44/27/1129944427.db2.gz KCWYZBUHGYLERP-SFHVURJKSA-N 1 1 326.440 3.601 50 0 EHAAMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000823709210 1131079160 /nfs/dbraw/zinc/07/91/60/1131079160.db2.gz IEZZGHYRKJWBAA-QGZVFWFLSA-N 1 1 327.453 3.694 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCCCc1ccccc1 ZINC000008320554 201744980 /nfs/dbraw/zinc/74/49/80/201744980.db2.gz OLIQUSGBLARNHN-QGZVFWFLSA-N 1 1 328.481 3.634 50 0 EHAAMO COCc1ccc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000020206190 202035691 /nfs/dbraw/zinc/03/56/91/202035691.db2.gz BHVJUKDYKHRGCC-IBGZPJMESA-N 1 1 342.483 3.565 50 0 EHAAMO Cc1ccccc1OCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020482290 202045519 /nfs/dbraw/zinc/04/55/19/202045519.db2.gz CWMVNVVIGSINAA-UHFFFAOYSA-N 1 1 338.495 3.972 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)[nH]n1 ZINC000022914180 202094860 /nfs/dbraw/zinc/09/48/60/202094860.db2.gz UNWRKOIZGGQWPM-FQEVSTJZSA-N 1 1 340.515 3.672 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)n[nH]1 ZINC000022914180 202094865 /nfs/dbraw/zinc/09/48/65/202094865.db2.gz UNWRKOIZGGQWPM-FQEVSTJZSA-N 1 1 340.515 3.672 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)n[nH]1 ZINC000022914180 202094867 /nfs/dbraw/zinc/09/48/67/202094867.db2.gz UNWRKOIZGGQWPM-FQEVSTJZSA-N 1 1 340.515 3.672 50 0 EHAAMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC000023281666 202101566 /nfs/dbraw/zinc/10/15/66/202101566.db2.gz YETLUUUKLKHNTJ-GOSISDBHSA-N 1 1 327.424 3.766 50 0 EHAAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000023281666 202101570 /nfs/dbraw/zinc/10/15/70/202101570.db2.gz YETLUUUKLKHNTJ-GOSISDBHSA-N 1 1 327.424 3.766 50 0 EHAAMO COc1ccc(C)cc1C[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000032870872 202238678 /nfs/dbraw/zinc/23/86/78/202238678.db2.gz IJQUNBHNBUGWCI-UHFFFAOYSA-N 1 1 330.403 3.603 50 0 EHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2)cc1 ZINC000036095161 202314323 /nfs/dbraw/zinc/31/43/23/202314323.db2.gz LPYSIDKPIIRVCV-LJQANCHMSA-N 1 1 343.467 3.593 50 0 EHAAMO CC[NH+](CC)Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1 ZINC000036203982 202319255 /nfs/dbraw/zinc/31/92/55/202319255.db2.gz ZDJONYVUHGTAIQ-UHFFFAOYSA-N 1 1 343.452 3.502 50 0 EHAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)n1 ZINC000071876105 202351853 /nfs/dbraw/zinc/35/18/53/202351853.db2.gz KBKISAXORMRQAS-KRWDZBQOSA-N 1 1 338.455 3.738 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000071878769 202352438 /nfs/dbraw/zinc/35/24/38/202352438.db2.gz CWOJQBHTIBLETN-IBGZPJMESA-N 1 1 335.455 3.560 50 0 EHAAMO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150446 201038316 /nfs/dbraw/zinc/03/83/16/201038316.db2.gz RGUCWJXJVKWPAM-HOCLYGCPSA-N 1 1 329.469 3.523 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1C ZINC000253535004 201187555 /nfs/dbraw/zinc/18/75/55/201187555.db2.gz CKESOXJUHXOFCW-YLJYHZDGSA-N 1 1 339.483 3.779 50 0 EHAAMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1Cl ZINC000216427024 241192328 /nfs/dbraw/zinc/19/23/28/241192328.db2.gz NXQGITUHKATZOF-CQSZACIVSA-N 1 1 327.852 3.748 50 0 EHAAMO COC[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000215534085 241131912 /nfs/dbraw/zinc/13/19/12/241131912.db2.gz MHAWKVWLYWFMSZ-IBGZPJMESA-N 1 1 341.451 3.743 50 0 EHAAMO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000215648647 241137395 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Oc1cccc2ccc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)nc12 ZINC000067894845 563963032 /nfs/dbraw/zinc/96/30/32/563963032.db2.gz FRPXPKHQWNOGOG-IBGZPJMESA-N 1 1 349.434 3.517 50 0 EHAAMO CSc1ccc2cc(C[N@@H+](C)[C@@H](C)c3ccccn3)c(=O)[nH]c2c1 ZINC000067919921 563963123 /nfs/dbraw/zinc/96/31/23/563963123.db2.gz XCAKOZWBTJZUMX-ZDUSSCGKSA-N 1 1 339.464 3.838 50 0 EHAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139271 563968164 /nfs/dbraw/zinc/96/81/64/563968164.db2.gz HLJCKTSDNMSANX-AWEZNQCLSA-N 1 1 330.501 3.599 50 0 EHAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)co1 ZINC000077565402 563970364 /nfs/dbraw/zinc/97/03/64/563970364.db2.gz KAERFGMULDOIIT-KRWDZBQOSA-N 1 1 336.439 3.677 50 0 EHAAMO Cc1nc(C[N@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)co1 ZINC000077565402 563970365 /nfs/dbraw/zinc/97/03/65/563970365.db2.gz KAERFGMULDOIIT-KRWDZBQOSA-N 1 1 336.439 3.677 50 0 EHAAMO CCNc1cc[nH+]c(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1 ZINC000091818044 563975790 /nfs/dbraw/zinc/97/57/90/563975790.db2.gz BXKWAAFGZJOKKE-KRWDZBQOSA-N 1 1 346.438 3.855 50 0 EHAAMO FC(F)(F)CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091830979 563975811 /nfs/dbraw/zinc/97/58/11/563975811.db2.gz MGHDXSPCANXOQQ-DLBZAZTESA-N 1 1 326.406 3.925 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1ccc2ccccc2n1 ZINC000095359077 563976753 /nfs/dbraw/zinc/97/67/53/563976753.db2.gz MYXPQJNRUGGJMZ-HNNXBMFYSA-N 1 1 336.439 3.774 50 0 EHAAMO CC(C)c1nnc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)s1 ZINC000095355749 563976777 /nfs/dbraw/zinc/97/67/77/563976777.db2.gz PFEREIQECJMZTF-IAGOWNOFSA-N 1 1 342.512 3.762 50 0 EHAAMO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1F ZINC000095368859 563976809 /nfs/dbraw/zinc/97/68/09/563976809.db2.gz XRPFCWANFACEMB-GOEBONIOSA-N 1 1 349.450 3.518 50 0 EHAAMO Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1F ZINC000095368859 563976810 /nfs/dbraw/zinc/97/68/10/563976810.db2.gz XRPFCWANFACEMB-GOEBONIOSA-N 1 1 349.450 3.518 50 0 EHAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nc4ccccc4[nH]2)C3)cc1 ZINC000095365537 563976827 /nfs/dbraw/zinc/97/68/27/563976827.db2.gz DFCKMLNYPISZDC-RBUKOAKNSA-N 1 1 346.478 3.659 50 0 EHAAMO Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000095370919 563976892 /nfs/dbraw/zinc/97/68/92/563976892.db2.gz JQVNWDCFYBBCNJ-WIYYLYMNSA-N 1 1 334.463 3.732 50 0 EHAAMO CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@H]1C(C)C ZINC000095531832 563977529 /nfs/dbraw/zinc/97/75/29/563977529.db2.gz OLGMGEPVDUUIJX-VQTJNVASSA-N 1 1 344.499 3.601 50 0 EHAAMO Cc1c2ccccc2[nH]c1-c1nc([C@@H]2CCOC2)nn1-c1cc[nH+]cc1 ZINC000097370303 563981498 /nfs/dbraw/zinc/98/14/98/563981498.db2.gz RYRGEVVZVOSNQP-CQSZACIVSA-N 1 1 345.406 3.623 50 0 EHAAMO O[C@H](C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000247797564 563981674 /nfs/dbraw/zinc/98/16/74/563981674.db2.gz SJFFCYPRQWBAEB-NHCUHLMSSA-N 1 1 336.410 3.766 50 0 EHAAMO O[C@H](C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000247797564 563981675 /nfs/dbraw/zinc/98/16/75/563981675.db2.gz SJFFCYPRQWBAEB-NHCUHLMSSA-N 1 1 336.410 3.766 50 0 EHAAMO Clc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1Cl ZINC000097797727 563981916 /nfs/dbraw/zinc/98/19/16/563981916.db2.gz XNOLBYYYTJNYEC-OAHLLOKOSA-N 1 1 343.298 3.680 50 0 EHAAMO Clc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1Cl ZINC000097797727 563981917 /nfs/dbraw/zinc/98/19/17/563981917.db2.gz XNOLBYYYTJNYEC-OAHLLOKOSA-N 1 1 343.298 3.680 50 0 EHAAMO Clc1cccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c1Cl ZINC000097797727 563981918 /nfs/dbraw/zinc/98/19/18/563981918.db2.gz XNOLBYYYTJNYEC-OAHLLOKOSA-N 1 1 343.298 3.680 50 0 EHAAMO O[C@H]1CCC[N@@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408519082 563993093 /nfs/dbraw/zinc/99/30/93/563993093.db2.gz XZWYSDRKCZAFQQ-XIRDDKMYSA-N 1 1 343.389 3.630 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000248105852 563995187 /nfs/dbraw/zinc/99/51/87/563995187.db2.gz FUPRUKGYGLGSHD-IAGOWNOFSA-N 1 1 343.858 3.587 50 0 EHAAMO COc1cccc(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005525658 564004964 /nfs/dbraw/zinc/00/49/64/564004964.db2.gz HVRINZSEISPUSB-QZTJIDSGSA-N 1 1 329.827 3.877 50 0 EHAAMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)[C@H]1c1cccs1 ZINC000110619657 564025821 /nfs/dbraw/zinc/02/58/21/564025821.db2.gz OLGQEWYLKUJKMS-MHMSXWKFSA-N 1 1 330.453 3.554 50 0 EHAAMO CC(C)c1ccc(OCCOC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000106220044 564026212 /nfs/dbraw/zinc/02/62/12/564026212.db2.gz FFWOYTOSUZFZMF-WSTZPKSXSA-N 1 1 349.515 3.544 50 0 EHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)cc1C ZINC000012111836 564026363 /nfs/dbraw/zinc/02/63/63/564026363.db2.gz QYAUPJPEVXHWBC-INIZCTEOSA-N 1 1 330.428 3.578 50 0 EHAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)cc1C ZINC000012111836 564026364 /nfs/dbraw/zinc/02/63/64/564026364.db2.gz QYAUPJPEVXHWBC-INIZCTEOSA-N 1 1 330.428 3.578 50 0 EHAAMO CC(C)C[N@@H+](C[C@H](O)c1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000106855319 564026696 /nfs/dbraw/zinc/02/66/96/564026696.db2.gz MZKVMPOGWXOPGN-PBHICJAKSA-N 1 1 329.444 3.700 50 0 EHAAMO Cc1sc2ncnc(N[C@H]3C[N@H+](C)C[C@H]3c3ccccc3)c2c1C ZINC000108173533 564028016 /nfs/dbraw/zinc/02/80/16/564028016.db2.gz LKXVICHOVBNYEP-HOTGVXAUSA-N 1 1 338.480 3.818 50 0 EHAAMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000048324392 564030941 /nfs/dbraw/zinc/03/09/41/564030941.db2.gz CTHYYUMGDOTWLX-PKOBYXMFSA-N 1 1 330.472 3.623 50 0 EHAAMO CC(C)Nc1ncc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000214954742 564033440 /nfs/dbraw/zinc/03/34/40/564033440.db2.gz FSLQQYOWRCXBKV-UHFFFAOYSA-N 1 1 326.419 3.725 50 0 EHAAMO CC(C)Nc1ncc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000214954742 564033441 /nfs/dbraw/zinc/03/34/41/564033441.db2.gz FSLQQYOWRCXBKV-UHFFFAOYSA-N 1 1 326.419 3.725 50 0 EHAAMO Cc1nc([C@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(C)c(C)cc2Cl)n[nH]1 ZINC000685940066 564051398 /nfs/dbraw/zinc/05/13/98/564051398.db2.gz HPFXLXOOZRNTEO-JDFRZJQESA-N 1 1 348.878 3.812 50 0 EHAAMO CCCCC1CCC(C(=O)N2CCN(c3[nH+]ccn3CC)CC2)CC1 ZINC000012444545 564051469 /nfs/dbraw/zinc/05/14/69/564051469.db2.gz SFNFGSDTESMPRR-UHFFFAOYSA-N 1 1 346.519 3.548 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1Cn1cncn1 ZINC000244796096 564052281 /nfs/dbraw/zinc/05/22/81/564052281.db2.gz RSRRUMNPCUDAMS-FQEVSTJZSA-N 1 1 348.450 3.672 50 0 EHAAMO CCOc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000252505727 564053556 /nfs/dbraw/zinc/05/35/56/564053556.db2.gz VTFDBZPZQVUAOV-UHFFFAOYSA-N 1 1 347.846 3.594 50 0 EHAAMO CN(C)c1ccc([C@@H]2C[N@@H+](C)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004052754 564061696 /nfs/dbraw/zinc/06/16/96/564061696.db2.gz RBXMSAUXWFTAFL-RBUKOAKNSA-N 1 1 342.870 3.934 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000012692340 564063272 /nfs/dbraw/zinc/06/32/72/564063272.db2.gz PHYUWWKBPPUWRE-ZBFHGGJFSA-N 1 1 339.483 3.507 50 0 EHAAMO Cc1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012747689 564065901 /nfs/dbraw/zinc/06/59/01/564065901.db2.gz UDOAHMOTFDDVGT-IBGZPJMESA-N 1 1 326.415 3.586 50 0 EHAAMO Cc1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012747689 564065902 /nfs/dbraw/zinc/06/59/02/564065902.db2.gz UDOAHMOTFDDVGT-IBGZPJMESA-N 1 1 326.415 3.586 50 0 EHAAMO O=C(c1ccc2c(c1)CCCC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000084451883 564068205 /nfs/dbraw/zinc/06/82/05/564068205.db2.gz PYXHMZIGBYHFKV-CTNGQTDRSA-N 1 1 338.495 3.654 50 0 EHAAMO c1cc2[nH+]ccc(N3CCC[C@H]3c3nnc4n3CCCCC4)c2s1 ZINC000084614932 564069085 /nfs/dbraw/zinc/06/90/85/564069085.db2.gz IXPZBJDHVOEVJX-HNNXBMFYSA-N 1 1 339.468 3.956 50 0 EHAAMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(=O)n3cccc(C)c3n2)s1 ZINC000053213232 564073395 /nfs/dbraw/zinc/07/33/95/564073395.db2.gz LTZGXKFJXFQIBC-AWEZNQCLSA-N 1 1 327.453 3.566 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2CCNC(=O)Nc2ccccc2)cc1 ZINC000085558028 564073970 /nfs/dbraw/zinc/07/39/70/564073970.db2.gz BRVOAICNRRNMRH-LJQANCHMSA-N 1 1 339.439 3.654 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2CCNC(=O)Nc2ccccc2)cc1 ZINC000085558026 564073987 /nfs/dbraw/zinc/07/39/87/564073987.db2.gz BRVOAICNRRNMRH-IBGZPJMESA-N 1 1 339.439 3.654 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2ccccc2n1 ZINC000063778362 564076875 /nfs/dbraw/zinc/07/68/75/564076875.db2.gz XSJMVXCMGXBCFV-UHFFFAOYSA-N 1 1 325.456 3.571 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862258 564076981 /nfs/dbraw/zinc/07/69/81/564076981.db2.gz KZRZIYJNDVXXBB-UHFFFAOYSA-N 1 1 336.435 3.786 50 0 EHAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000122635663 564085061 /nfs/dbraw/zinc/08/50/61/564085061.db2.gz CWOZTMLXVVRXCD-MRXNPFEDSA-N 1 1 341.455 3.535 50 0 EHAAMO CC(C)N(C(=O)C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000012999512 564086305 /nfs/dbraw/zinc/08/63/05/564086305.db2.gz QDPXNZPQSADACL-UHFFFAOYSA-N 1 1 339.483 3.902 50 0 EHAAMO Cc1ccc(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c2cccnc12 ZINC000426430677 564093701 /nfs/dbraw/zinc/09/37/01/564093701.db2.gz JSMOPOWMPITKNC-OAHLLOKOSA-N 1 1 338.455 3.634 50 0 EHAAMO COc1ccccc1CN(C(=O)[C@H](C)n1cc[nH+]c1C)C1CCCC1 ZINC000426531028 564094034 /nfs/dbraw/zinc/09/40/34/564094034.db2.gz VFMNPKYNSADOEC-HNNXBMFYSA-N 1 1 341.455 3.733 50 0 EHAAMO CCn1cc(CCCC(=O)NC[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000006782773 564097652 /nfs/dbraw/zinc/09/76/52/564097652.db2.gz LEOMXSQOEKMTCD-SFHVURJKSA-N 1 1 341.499 3.584 50 0 EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)NCC1CCCC1 ZINC000065547729 564107384 /nfs/dbraw/zinc/10/73/84/564107384.db2.gz QLKLBJAEJJWRQH-MJGOQNOKSA-N 1 1 327.472 3.503 50 0 EHAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)[C@H](C)C2CC2)o1 ZINC000065621218 564108446 /nfs/dbraw/zinc/10/84/46/564108446.db2.gz DIBJKQJSZXCDHD-GFCCVEGCSA-N 1 1 338.411 3.930 50 0 EHAAMO Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000013320224 564111441 /nfs/dbraw/zinc/11/14/41/564111441.db2.gz DELIPYGNYZFXKP-UHFFFAOYSA-N 1 1 341.430 3.792 50 0 EHAAMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccc1F ZINC000089814271 564114029 /nfs/dbraw/zinc/11/40/29/564114029.db2.gz BWUSZXPCRQBHFR-MRXNPFEDSA-N 1 1 333.451 3.992 50 0 EHAAMO CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000089921964 564115430 /nfs/dbraw/zinc/11/54/30/564115430.db2.gz HGHVOYTZUOIFCL-UHFFFAOYSA-N 1 1 340.402 3.574 50 0 EHAAMO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000089921964 564115431 /nfs/dbraw/zinc/11/54/31/564115431.db2.gz HGHVOYTZUOIFCL-UHFFFAOYSA-N 1 1 340.402 3.574 50 0 EHAAMO COc1ccc([C@@H](C)[NH2+]Cc2cn3cccc(C)c3n2)c(OC)c1 ZINC000090044870 564116218 /nfs/dbraw/zinc/11/62/18/564116218.db2.gz SFVAWOYXBYZIMH-CQSZACIVSA-N 1 1 325.412 3.511 50 0 EHAAMO c1ccc(-c2nn3c(C[NH+]4CCCCC4)nnc3c3ccccc32)cc1 ZINC000002227184 564124543 /nfs/dbraw/zinc/12/45/43/564124543.db2.gz GHOOMLVZIAQAQK-UHFFFAOYSA-N 1 1 343.434 3.930 50 0 EHAAMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000253396592 564130533 /nfs/dbraw/zinc/13/05/33/564130533.db2.gz ANERHEYPLKFHOA-SUMWQHHRSA-N 1 1 326.831 3.966 50 0 EHAAMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000253396592 564130534 /nfs/dbraw/zinc/13/05/34/564130534.db2.gz ANERHEYPLKFHOA-SUMWQHHRSA-N 1 1 326.831 3.966 50 0 EHAAMO CC(C)CC[C@H](CC[NH2+]CCCN(C)C)c1ccc2c(c1)OCO2 ZINC000002441971 564135253 /nfs/dbraw/zinc/13/52/53/564135253.db2.gz HCXCEIGJTTYITG-QGZVFWFLSA-N 1 1 334.504 3.867 50 0 EHAAMO Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281166421 564142338 /nfs/dbraw/zinc/14/23/38/564142338.db2.gz BJWRMCWOJJJGLC-LLVKDONJSA-N 1 1 348.878 3.874 50 0 EHAAMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000095954891 564142488 /nfs/dbraw/zinc/14/24/88/564142488.db2.gz GEEPZPGWBFNJLF-WOJBJXKFSA-N 1 1 341.499 3.625 50 0 EHAAMO CSc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003340408 564157455 /nfs/dbraw/zinc/15/74/55/564157455.db2.gz HHEOKHQGQBIYIA-INIZCTEOSA-N 1 1 344.480 3.959 50 0 EHAAMO CCOc1ccc(C(=O)OCC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000004028473 564160118 /nfs/dbraw/zinc/16/01/18/564160118.db2.gz LMVFSJKEPVNMKH-APWZRJJASA-N 1 1 331.456 3.897 50 0 biogenic EHAAMO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)sc1C ZINC000032429446 564161463 /nfs/dbraw/zinc/16/14/63/564161463.db2.gz SIGLDTUPMHZFAW-GFCCVEGCSA-N 1 1 334.510 3.603 50 0 EHAAMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)sc1C ZINC000032429446 564161464 /nfs/dbraw/zinc/16/14/64/564161464.db2.gz SIGLDTUPMHZFAW-GFCCVEGCSA-N 1 1 334.510 3.603 50 0 EHAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000008309934 564164157 /nfs/dbraw/zinc/16/41/57/564164157.db2.gz UESLEKFNAAOJMO-UHFFFAOYSA-N 1 1 340.395 3.728 50 0 EHAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000008309934 564164158 /nfs/dbraw/zinc/16/41/58/564164158.db2.gz UESLEKFNAAOJMO-UHFFFAOYSA-N 1 1 340.395 3.728 50 0 EHAAMO CCCN1CCC([NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067184614 564165298 /nfs/dbraw/zinc/16/52/98/564165298.db2.gz AYZJWVXTLGCPIO-UHFFFAOYSA-N 1 1 338.455 3.787 50 0 EHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1sccc1C ZINC000008750265 564167269 /nfs/dbraw/zinc/16/72/69/564167269.db2.gz KHKSWXOGVZGUHN-CQSZACIVSA-N 1 1 332.469 3.833 50 0 EHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC000008750265 564167270 /nfs/dbraw/zinc/16/72/70/564167270.db2.gz KHKSWXOGVZGUHN-CQSZACIVSA-N 1 1 332.469 3.833 50 0 EHAAMO Nc1nc(Cl)cc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000040067503 564167868 /nfs/dbraw/zinc/16/78/68/564167868.db2.gz NCZPSARJPVAFHW-UHFFFAOYSA-N 1 1 328.807 3.532 50 0 EHAAMO Cc1ccc(NCCCNC(=O)N(C)[C@@H](C)c2cccs2)[nH+]c1 ZINC000040145965 564168359 /nfs/dbraw/zinc/16/83/59/564168359.db2.gz VTYVTSFDALEWDX-AWEZNQCLSA-N 1 1 332.473 3.656 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Nc2nc3ccccc3s2)C1 ZINC000040145657 564168371 /nfs/dbraw/zinc/16/83/71/564168371.db2.gz DNVYMSRAOFDPNO-OKILXGFUSA-N 1 1 346.500 3.786 50 0 EHAAMO C[N@@H+](CCCn1c2ccccc2oc1=O)[C@H]1CCCc2ccccc21 ZINC000069350387 564168875 /nfs/dbraw/zinc/16/88/75/564168875.db2.gz FXGVRASFOLEBDC-SFHVURJKSA-N 1 1 336.435 3.994 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC000245281327 564168959 /nfs/dbraw/zinc/16/89/59/564168959.db2.gz ARHHDDVZICRIDY-GMIDFTQGSA-N 1 1 327.403 3.543 50 0 EHAAMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000246777148 564175746 /nfs/dbraw/zinc/17/57/46/564175746.db2.gz QQMPODHHCKTDKT-WCQYABFASA-N 1 1 332.473 3.654 50 0 EHAAMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000246777148 564175747 /nfs/dbraw/zinc/17/57/47/564175747.db2.gz QQMPODHHCKTDKT-WCQYABFASA-N 1 1 332.473 3.654 50 0 EHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000019635586 1018038614 /nfs/dbraw/zinc/03/86/14/1018038614.db2.gz KGZNAOHDVRKGAE-HXUWFJFHSA-N 1 1 327.516 3.524 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257176974 1038343703 /nfs/dbraw/zinc/34/37/03/1038343703.db2.gz DHHIXBSNNBWYQH-KRWDZBQOSA-N 1 1 343.496 3.685 50 0 EHAAMO O=C1NCCCCCC[N@H+](Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]12 ZINC000257182365 1038432585 /nfs/dbraw/zinc/43/25/85/1038432585.db2.gz PADZPBWZOMJNMS-AEFFLSMTSA-N 1 1 336.426 3.626 50 0 EHAAMO C[N@H+]1CCc2nc(C=Cc3cccc(Cl)c3Cl)[nH]c(=O)c2C1 ZINC000253630362 1041056258 /nfs/dbraw/zinc/05/62/58/1041056258.db2.gz UYEOYSNJUWWZPN-AATRIKPKSA-N 1 1 336.222 3.647 50 0 EHAAMO Cc1ccc2c(cc(C[NH+]3CCN(Cc4cccc(O)c4)CC3)n2C)c1 ZINC000825206775 1131257398 /nfs/dbraw/zinc/25/73/98/1131257398.db2.gz ANCYQWWNZWCWFV-UHFFFAOYSA-N 1 1 349.478 3.510 50 0 EHAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000823777501 1131081329 /nfs/dbraw/zinc/08/13/29/1131081329.db2.gz COAPUZULAHDDSG-GOSISDBHSA-N 1 1 343.471 3.547 50 0 EHAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000823777501 1131081333 /nfs/dbraw/zinc/08/13/33/1131081333.db2.gz COAPUZULAHDDSG-GOSISDBHSA-N 1 1 343.471 3.547 50 0 EHAAMO OCC[C@@H]1C[N@@H+](CCCC2CCCC2)CCN1Cc1cccs1 ZINC000828747117 1131443960 /nfs/dbraw/zinc/44/39/60/1131443960.db2.gz FNKSPMZVRZKNPM-GOSISDBHSA-N 1 1 336.545 3.587 50 0 EHAAMO CCOc1ccccc1C[N@H+]1CC[C@@H](n2c(C)cnc2C2CC2)C1 ZINC000575548847 1131572069 /nfs/dbraw/zinc/57/20/69/1131572069.db2.gz KHLPHTYMZLBJFQ-GOSISDBHSA-N 1 1 325.456 3.915 50 0 EHAAMO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000192069932 1136986042 /nfs/dbraw/zinc/98/60/42/1136986042.db2.gz DMLYTYLIFUFOGG-LJQANCHMSA-N 1 1 339.464 3.816 50 0 EHAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000192069932 1136986044 /nfs/dbraw/zinc/98/60/44/1136986044.db2.gz DMLYTYLIFUFOGG-LJQANCHMSA-N 1 1 339.464 3.816 50 0 EHAAMO CC[N@H+]1CCCC[C@H]1CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 ZINC000585092638 1136994190 /nfs/dbraw/zinc/99/41/90/1136994190.db2.gz HQWMEICXIJVTKT-ZAMGYDSWSA-N 1 1 349.422 3.898 50 0 EHAAMO Cn1ncc2c1nccc2N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000952845408 1137482273 /nfs/dbraw/zinc/48/22/73/1137482273.db2.gz NGNPUSAVBZFCNM-LJQANCHMSA-N 1 1 349.482 3.681 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+](C)C2CCCC2)ccc1NC(=O)C(C)(C)C ZINC000952967375 1137485086 /nfs/dbraw/zinc/48/50/86/1137485086.db2.gz ZRKNZQHJZQDJFU-UHFFFAOYSA-N 1 1 345.487 3.793 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000015860050 201965979 /nfs/dbraw/zinc/96/59/79/201965979.db2.gz LIKQTJMJSPXANV-INIZCTEOSA-N 1 1 332.831 3.890 50 0 EHAAMO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019773767 202019655 /nfs/dbraw/zinc/01/96/55/202019655.db2.gz YYDAXVPPVVQHEW-UHFFFAOYSA-N 1 1 348.421 3.937 50 0 EHAAMO COc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000019799618 202021201 /nfs/dbraw/zinc/02/12/01/202021201.db2.gz UFESWHGAFUPYSI-FOWTUZBSSA-N 1 1 346.452 3.565 50 0 EHAAMO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)N2CC[NH+](C)CC2)cc1 ZINC000019864062 202024402 /nfs/dbraw/zinc/02/44/02/202024402.db2.gz CQIUJGWVQLAHIG-JOCHJYFZSA-N 1 1 349.478 3.822 50 0 EHAAMO CCC[N@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 ZINC000020326494 202038133 /nfs/dbraw/zinc/03/81/33/202038133.db2.gz VDADZDMMNJJJGL-LLVKDONJSA-N 1 1 336.486 3.707 50 0 EHAAMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000022075172 202079130 /nfs/dbraw/zinc/07/91/30/202079130.db2.gz PJSVCJMNLCOYSS-UHFFFAOYSA-N 1 1 342.483 3.706 50 0 EHAAMO C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000023580726 202106186 /nfs/dbraw/zinc/10/61/86/202106186.db2.gz UDFTUGITYZYFBR-LLVKDONJSA-N 1 1 338.238 3.553 50 0 EHAAMO C[C@@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026451888 202144247 /nfs/dbraw/zinc/14/42/47/202144247.db2.gz ARBAYNNCOYYSTR-QGZVFWFLSA-N 1 1 333.435 3.760 50 0 EHAAMO C[C@@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026451888 202144249 /nfs/dbraw/zinc/14/42/49/202144249.db2.gz ARBAYNNCOYYSTR-QGZVFWFLSA-N 1 1 333.435 3.760 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H]3CCCc4ccccc43)nc12 ZINC000027906182 202161600 /nfs/dbraw/zinc/16/16/00/202161600.db2.gz JGKJEMHLTSMUSX-IBGZPJMESA-N 1 1 333.435 3.512 50 0 EHAAMO CC(C)c1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000029831767 202191034 /nfs/dbraw/zinc/19/10/34/202191034.db2.gz CSMDXZCREXUNRW-ZDUSSCGKSA-N 1 1 326.400 3.714 50 0 EHAAMO CC(C)c1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000029831767 202191037 /nfs/dbraw/zinc/19/10/37/202191037.db2.gz CSMDXZCREXUNRW-ZDUSSCGKSA-N 1 1 326.400 3.714 50 0 EHAAMO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029913011 202192715 /nfs/dbraw/zinc/19/27/15/202192715.db2.gz RVQYJCYWDDSPKZ-OAHLLOKOSA-N 1 1 343.452 3.503 50 0 EHAAMO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029913011 202192719 /nfs/dbraw/zinc/19/27/19/202192719.db2.gz RVQYJCYWDDSPKZ-OAHLLOKOSA-N 1 1 343.452 3.503 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000029483833 202188518 /nfs/dbraw/zinc/18/85/18/202188518.db2.gz OVFATNOPUHOJJZ-QGZVFWFLSA-N 1 1 346.377 3.846 50 0 EHAAMO C[N@@H+]1CCN(C(=O)CCc2cc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000030030327 202193569 /nfs/dbraw/zinc/19/35/69/202193569.db2.gz IZAQKRKOZMOCSB-FQEVSTJZSA-N 1 1 348.446 3.881 50 0 EHAAMO C[N@H+]1CCN(C(=O)CCc2cc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000030030327 202193572 /nfs/dbraw/zinc/19/35/72/202193572.db2.gz IZAQKRKOZMOCSB-FQEVSTJZSA-N 1 1 348.446 3.881 50 0 EHAAMO Cc1cccc2c(=O)n(CC[C@H]3CCCC[N@H+]3C3CCCC3)cnc12 ZINC000032580948 202228050 /nfs/dbraw/zinc/22/80/50/202228050.db2.gz KRNVTGFXKJQBFW-GOSISDBHSA-N 1 1 339.483 3.892 50 0 EHAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)c(OC)c1 ZINC000032751536 202232219 /nfs/dbraw/zinc/23/22/19/202232219.db2.gz DDPLBPQQOGPXOH-GOSISDBHSA-N 1 1 337.423 3.689 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3n2)c(OC)c1 ZINC000032751536 202232223 /nfs/dbraw/zinc/23/22/23/202232223.db2.gz DDPLBPQQOGPXOH-GOSISDBHSA-N 1 1 337.423 3.689 50 0 EHAAMO C/C=C\c1ccc(OC[C@H](O)C[N@H+](CCC)CC2CC2)c(OC)c1 ZINC000033502921 202263178 /nfs/dbraw/zinc/26/31/78/202263178.db2.gz MDDUUKFEVYBMLM-WLPBJKJWSA-N 1 1 333.472 3.590 50 0 EHAAMO CC(C)Cn1c2ccccc2[nH+]c1NCCCNC(=O)C(C)(C)C ZINC000034906828 202280154 /nfs/dbraw/zinc/28/01/54/202280154.db2.gz GUFPWLAHGUCCRT-UHFFFAOYSA-N 1 1 330.476 3.657 50 0 EHAAMO c1ccc(-c2nc(SC[C@H]3CCC[N@H+]4CCCC[C@H]34)n[nH]2)cc1 ZINC000036056952 202312472 /nfs/dbraw/zinc/31/24/72/202312472.db2.gz LVRKTHCBVHLACO-HZPDHXFCSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000036056952 202312474 /nfs/dbraw/zinc/31/24/74/202312474.db2.gz LVRKTHCBVHLACO-HZPDHXFCSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1 ZINC000036056952 202312478 /nfs/dbraw/zinc/31/24/78/202312478.db2.gz LVRKTHCBVHLACO-HZPDHXFCSA-N 1 1 328.485 3.828 50 0 EHAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccsc1)CC(C)C ZINC000036099215 202314083 /nfs/dbraw/zinc/31/40/83/202314083.db2.gz QVODUNPGIXYFHZ-GOSISDBHSA-N 1 1 333.497 3.954 50 0 EHAAMO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000036398308 202325220 /nfs/dbraw/zinc/32/52/20/202325220.db2.gz WZRCIKTVALGRRY-LBPRGKRZSA-N 1 1 334.510 3.549 50 0 EHAAMO CCc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000036398308 202325224 /nfs/dbraw/zinc/32/52/24/202325224.db2.gz WZRCIKTVALGRRY-LBPRGKRZSA-N 1 1 334.510 3.549 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000071870872 202350796 /nfs/dbraw/zinc/35/07/96/202350796.db2.gz GIHDMCTYXIVXSX-KRWDZBQOSA-N 1 1 336.439 3.965 50 0 EHAAMO c1cc(-c2nc(C[N@H+]3CCCC[C@@H]3Cn3cncn3)cs2)cs1 ZINC000071876243 202351547 /nfs/dbraw/zinc/35/15/47/202351547.db2.gz JBYWXOSSEHLION-OAHLLOKOSA-N 1 1 345.497 3.518 50 0 EHAAMO c1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3Cn3cncn3)cs2)cs1 ZINC000071876243 202351550 /nfs/dbraw/zinc/35/15/50/202351550.db2.gz JBYWXOSSEHLION-OAHLLOKOSA-N 1 1 345.497 3.518 50 0 EHAAMO CC(C)COc1ccccc1CN(C)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000055403351 202692258 /nfs/dbraw/zinc/69/22/58/202692258.db2.gz YJIFBUMGCKOBEF-UHFFFAOYSA-N 1 1 344.455 3.648 50 0 EHAAMO COc1cc(Cl)cc(C[N@@H+](C)CCC[C@@H]2CCCO2)c1OC ZINC000215831496 241150811 /nfs/dbraw/zinc/15/08/11/241150811.db2.gz CCPSZFHLBJGEPQ-OAHLLOKOSA-N 1 1 327.852 3.748 50 0 EHAAMO 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ZINC000096423087 563951778 /nfs/dbraw/zinc/95/17/78/563951778.db2.gz NPLDBIMXCMZUEE-YOEHRIQHSA-N 1 1 332.469 3.771 50 0 EHAAMO CCOc1cccc(OCC[N@H+]2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000065404614 563960094 /nfs/dbraw/zinc/96/00/94/563960094.db2.gz YVFHJJPMFGMTDQ-GOSISDBHSA-N 1 1 330.428 3.906 50 0 EHAAMO CCCOC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C/C=C/c1ccco1)C2 ZINC000067473418 563962279 /nfs/dbraw/zinc/96/22/79/563962279.db2.gz SPWMGUAFUQLYSA-NAASZUNDSA-N 1 1 332.444 3.627 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@@H]1CCCO1)CCO2 ZINC000067819934 563962825 /nfs/dbraw/zinc/96/28/25/563962825.db2.gz NUEIBZMZPLUHCP-SFHVURJKSA-N 1 1 339.435 3.741 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@@H]1CCCO1)CCO2 ZINC000067819934 563962826 /nfs/dbraw/zinc/96/28/26/563962826.db2.gz NUEIBZMZPLUHCP-SFHVURJKSA-N 1 1 339.435 3.741 50 0 EHAAMO Cc1cc(C[C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)s2)n[nH]1 ZINC000067871413 563962918 /nfs/dbraw/zinc/96/29/18/563962918.db2.gz SFGHNNDNTULFMH-CYBMUJFWSA-N 1 1 326.469 3.871 50 0 EHAAMO COc1ncccc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067884793 563963000 /nfs/dbraw/zinc/96/30/00/563963000.db2.gz OGQREFCUYIEPHS-LEWJYISDSA-N 1 1 348.446 3.594 50 0 EHAAMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1 ZINC000067965182 563963163 /nfs/dbraw/zinc/96/31/63/563963163.db2.gz OJCXELRGOYBURZ-UHFFFAOYSA-N 1 1 325.387 3.897 50 0 EHAAMO CCc1nc(C)sc1C[N@H+]1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2 ZINC000091390736 563975343 /nfs/dbraw/zinc/97/53/43/563975343.db2.gz USCDOZHYZNHJED-DLBZAZTESA-N 1 1 333.545 3.876 50 0 EHAAMO CC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CC[N@H+]1C(C)C ZINC000091416809 563975388 /nfs/dbraw/zinc/97/53/88/563975388.db2.gz GKSWCELAEIVZQK-HNNXBMFYSA-N 1 1 347.890 3.777 50 0 EHAAMO O=c1cc(C[N@H+](Cc2ccc(O)cc2)C2CC2)[nH]c2c(F)cccc12 ZINC000091846464 563975774 /nfs/dbraw/zinc/97/57/74/563975774.db2.gz UXSDZQOBFWPJNK-UHFFFAOYSA-N 1 1 338.382 3.950 50 0 EHAAMO CC[C@H](C)c1ccccc1OCCOCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247800 563976194 /nfs/dbraw/zinc/97/61/94/563976194.db2.gz VWQJKKNSUSBQTM-OKZBNKHCSA-N 1 1 335.488 3.705 50 0 EHAAMO CC[C@H](C)c1ccccc1OCCOCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247800 563976195 /nfs/dbraw/zinc/97/61/95/563976195.db2.gz VWQJKKNSUSBQTM-OKZBNKHCSA-N 1 1 335.488 3.705 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000095369824 563976840 /nfs/dbraw/zinc/97/68/40/563976840.db2.gz FRHXFZCUTXIUKU-CQSZACIVSA-N 1 1 346.368 3.725 50 0 EHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCc1cccc(Cl)c1Cl ZINC000095373731 563976889 /nfs/dbraw/zinc/97/68/89/563976889.db2.gz YWJBBDKHGBAHQY-CQSZACIVSA-N 1 1 329.271 3.527 50 0 EHAAMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000247758012 563981409 /nfs/dbraw/zinc/98/14/09/563981409.db2.gz YULFTGLMJRFNCG-ZWKOTPCHSA-N 1 1 326.465 3.905 50 0 EHAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4ccncn4)C3)c(C)c2c1 ZINC000097475580 563981599 /nfs/dbraw/zinc/98/15/99/563981599.db2.gz YORXTDFBTRVSDO-OAHLLOKOSA-N 1 1 336.439 3.655 50 0 EHAAMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(-n2cccn2)c1 ZINC000097743553 563981838 /nfs/dbraw/zinc/98/18/38/563981838.db2.gz PIDGIBIVRQLCNX-GOSISDBHSA-N 1 1 347.466 3.659 50 0 EHAAMO COc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1-c1ccccc1 ZINC000050589585 563991464 /nfs/dbraw/zinc/99/14/64/563991464.db2.gz FLJVOVAVLPZFFB-UHFFFAOYSA-N 1 1 349.434 3.687 50 0 EHAAMO COc1cccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000273442681 564007778 /nfs/dbraw/zinc/00/77/78/564007778.db2.gz NQAWWRVIFBTFMA-ZWKOTPCHSA-N 1 1 330.403 3.581 50 0 EHAAMO CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000000526702 564021245 /nfs/dbraw/zinc/02/12/45/564021245.db2.gz LMVFSJKEPVNMKH-LPHOPBHVSA-N 1 1 331.456 3.897 50 0 biogenic EHAAMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)[C@H]1c1cccs1 ZINC000110619653 564025804 /nfs/dbraw/zinc/02/58/04/564025804.db2.gz OLGQEWYLKUJKMS-BLZHTEAHSA-N 1 1 330.453 3.554 50 0 EHAAMO CCS[C@H]1CCCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000106852893 564026691 /nfs/dbraw/zinc/02/66/91/564026691.db2.gz CFBXXFHLHSCIDB-HIFRSBDPSA-N 1 1 332.473 3.800 50 0 EHAAMO C[C@@H](NC(=S)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000107333868 564026866 /nfs/dbraw/zinc/02/68/66/564026866.db2.gz DLDFMJYRYMZPIK-APWZRJJASA-N 1 1 339.508 3.611 50 0 EHAAMO C[C@@H](NC(=S)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000107333868 564026867 /nfs/dbraw/zinc/02/68/67/564026867.db2.gz DLDFMJYRYMZPIK-APWZRJJASA-N 1 1 339.508 3.611 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000108973254 564028584 /nfs/dbraw/zinc/02/85/84/564028584.db2.gz RBLAQADRKSQVJS-KUHUBIRLSA-N 1 1 342.414 3.998 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000108973254 564028585 /nfs/dbraw/zinc/02/85/85/564028585.db2.gz RBLAQADRKSQVJS-KUHUBIRLSA-N 1 1 342.414 3.998 50 0 EHAAMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000114170858 564032941 /nfs/dbraw/zinc/03/29/41/564032941.db2.gz PGDCGRGFRSVBPP-UHFFFAOYSA-N 1 1 329.400 3.543 50 0 EHAAMO Cc1nc([C@@H](C)N(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000222376874 564036837 /nfs/dbraw/zinc/03/68/37/564036837.db2.gz CYSNVXNXCYSVLP-GFCCVEGCSA-N 1 1 349.475 3.550 50 0 EHAAMO Cc1nc([C@@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000222376874 564036838 /nfs/dbraw/zinc/03/68/38/564036838.db2.gz CYSNVXNXCYSVLP-GFCCVEGCSA-N 1 1 349.475 3.550 50 0 EHAAMO O=C(CC[N@H+]1CCCCC[C@H]1c1ccco1)NCc1cccs1 ZINC000244795855 564052259 /nfs/dbraw/zinc/05/22/59/564052259.db2.gz RORRMDCYGWMBQX-INIZCTEOSA-N 1 1 332.469 3.965 50 0 EHAAMO CN(Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811461 564052345 /nfs/dbraw/zinc/05/23/45/564052345.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 1 1 338.499 3.631 50 0 EHAAMO CN(Cc1cc(C2CC2)[nH]n1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811461 564052346 /nfs/dbraw/zinc/05/23/46/564052346.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 1 1 338.499 3.631 50 0 EHAAMO CN(Cc1cc(C2CC2)[nH]n1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811461 564052347 /nfs/dbraw/zinc/05/23/47/564052347.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 1 1 338.499 3.631 50 0 EHAAMO Cc1ncsc1CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182855675 564056369 /nfs/dbraw/zinc/05/63/69/564056369.db2.gz MQCFISJGZKJLKW-GFCCVEGCSA-N 1 1 344.406 3.546 50 0 EHAAMO CC(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000012479608 564058004 /nfs/dbraw/zinc/05/80/04/564058004.db2.gz SGZGHZXSYDMUOA-FQEVSTJZSA-N 1 1 342.483 3.664 50 0 EHAAMO CC(C)Cc1ccc(CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000084575173 564068769 /nfs/dbraw/zinc/06/87/69/564068769.db2.gz JKRZUAYCDLUHKH-FQEVSTJZSA-N 1 1 330.516 3.522 50 0 EHAAMO O=C(Nc1ccccc1)N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472700 564073492 /nfs/dbraw/zinc/07/34/92/564073492.db2.gz WSKUENSBOAZEEY-FQEVSTJZSA-N 1 1 335.451 3.610 50 0 EHAAMO O=C(Nc1ccccc1)N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472700 564073493 /nfs/dbraw/zinc/07/34/93/564073493.db2.gz WSKUENSBOAZEEY-FQEVSTJZSA-N 1 1 335.451 3.610 50 0 EHAAMO Cn1nccc1C[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000185442501 564073796 /nfs/dbraw/zinc/07/37/96/564073796.db2.gz XQPXSNQVZVMPMI-HNNXBMFYSA-N 1 1 342.443 3.850 50 0 EHAAMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1nnc(C)o1 ZINC000185924025 564075109 /nfs/dbraw/zinc/07/51/09/564075109.db2.gz ZCLHGWLASBICJZ-ZDUSSCGKSA-N 1 1 338.249 3.594 50 0 EHAAMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NCc3noc(C4CC4)n3)c2C1 ZINC000086205654 564075334 /nfs/dbraw/zinc/07/53/34/564075334.db2.gz TVMGVVOVCWSNKJ-ZDUSSCGKSA-N 1 1 326.444 3.919 50 0 EHAAMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862347 564076988 /nfs/dbraw/zinc/07/69/88/564076988.db2.gz YZLMZOLCDXGWQE-UHFFFAOYSA-N 1 1 336.435 3.867 50 0 EHAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000123732260 564086759 /nfs/dbraw/zinc/08/67/59/564086759.db2.gz MJFWOZWGOIXWDB-WBVHZDCISA-N 1 1 341.455 3.581 50 0 EHAAMO CC(C)Oc1ccccc1-c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000426492738 564093885 /nfs/dbraw/zinc/09/38/85/564093885.db2.gz DAGWFTSMWJDPLC-FQEVSTJZSA-N 1 1 341.451 3.506 50 0 EHAAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006652691 564095440 /nfs/dbraw/zinc/09/54/40/564095440.db2.gz ANCFAEGWLIGBDY-UHFFFAOYSA-N 1 1 346.858 3.982 50 0 EHAAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006652691 564095441 /nfs/dbraw/zinc/09/54/41/564095441.db2.gz ANCFAEGWLIGBDY-UHFFFAOYSA-N 1 1 346.858 3.982 50 0 EHAAMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000006874462 564100257 /nfs/dbraw/zinc/10/02/57/564100257.db2.gz XJJLZRBHDWJTNR-QGZVFWFLSA-N 1 1 326.484 3.861 50 0 EHAAMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000006874462 564100258 /nfs/dbraw/zinc/10/02/58/564100258.db2.gz XJJLZRBHDWJTNR-QGZVFWFLSA-N 1 1 326.484 3.861 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007039322 564103510 /nfs/dbraw/zinc/10/35/10/564103510.db2.gz GWCRUTRIUXGWLN-SFHVURJKSA-N 1 1 325.456 3.672 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007039322 564103511 /nfs/dbraw/zinc/10/35/11/564103511.db2.gz GWCRUTRIUXGWLN-SFHVURJKSA-N 1 1 325.456 3.672 50 0 EHAAMO C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000065530500 564106911 /nfs/dbraw/zinc/10/69/11/564106911.db2.gz UHRKFGUWMIJZPM-INIZCTEOSA-N 1 1 347.462 3.746 50 0 EHAAMO C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000065530500 564106912 /nfs/dbraw/zinc/10/69/12/564106912.db2.gz UHRKFGUWMIJZPM-INIZCTEOSA-N 1 1 347.462 3.746 50 0 EHAAMO CCCCNC(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065604997 564108117 /nfs/dbraw/zinc/10/81/17/564108117.db2.gz UAFXOAPLKKRWHD-LJQANCHMSA-N 1 1 331.504 3.873 50 0 EHAAMO C[C@H]1SCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1C ZINC000170631141 564110624 /nfs/dbraw/zinc/11/06/24/564110624.db2.gz ILRITJSVRUFPDA-LSDHHAIUSA-N 1 1 327.497 3.687 50 0 EHAAMO C[C@H]1SCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1C ZINC000170631141 564110625 /nfs/dbraw/zinc/11/06/25/564110625.db2.gz ILRITJSVRUFPDA-LSDHHAIUSA-N 1 1 327.497 3.687 50 0 EHAAMO O=C(CCCc1cccs1)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000089797759 564113891 /nfs/dbraw/zinc/11/38/91/564113891.db2.gz GJACCNNINNKALH-HNNXBMFYSA-N 1 1 333.453 3.872 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000089960854 564115933 /nfs/dbraw/zinc/11/59/33/564115933.db2.gz SOSRGLVZICSBNK-OAHLLOKOSA-N 1 1 335.517 3.993 50 0 EHAAMO CCO[C@@H]1CCC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000089986618 564115990 /nfs/dbraw/zinc/11/59/90/564115990.db2.gz PYHZZVIBPUSKOU-GOSISDBHSA-N 1 1 332.488 3.831 50 0 EHAAMO O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCc2[nH]cnc21 ZINC000367644057 564117858 /nfs/dbraw/zinc/11/78/58/564117858.db2.gz QVCACMVRJDBRGA-GFCCVEGCSA-N 1 1 337.876 3.684 50 0 EHAAMO O[C@@H](C[NH2+][C@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049627 564122698 /nfs/dbraw/zinc/12/26/98/564122698.db2.gz SYBFBLHORBUWHD-TVQRCGJNSA-N 1 1 339.873 3.599 50 0 EHAAMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nccs1)Nc1ccccc1F ZINC000195439816 564123477 /nfs/dbraw/zinc/12/34/77/564123477.db2.gz 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564139569 /nfs/dbraw/zinc/13/95/69/564139569.db2.gz MAWOPGYTFFWMKE-GFCCVEGCSA-N 1 1 338.224 3.691 50 0 EHAAMO Fc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000095405694 564139570 /nfs/dbraw/zinc/13/95/70/564139570.db2.gz MAWOPGYTFFWMKE-GFCCVEGCSA-N 1 1 338.224 3.691 50 0 EHAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000095404808 564139599 /nfs/dbraw/zinc/13/95/99/564139599.db2.gz VDJAQVGANJUISD-CMPLNLGQSA-N 1 1 328.243 3.694 50 0 EHAAMO Cc1nc(C)c(CC[NH2+]C2CCN(CCc3ccccc3)CC2)s1 ZINC000095422206 564140063 /nfs/dbraw/zinc/14/00/63/564140063.db2.gz PIKSUQXVZHFGIF-UHFFFAOYSA-N 1 1 343.540 3.599 50 0 EHAAMO c1ccc2[nH+]c(NCc3cccc(COC4CCOCC4)c3)[nH]c2c1 ZINC000095447152 564140528 /nfs/dbraw/zinc/14/05/28/564140528.db2.gz QTJJNNIOPHTAAU-UHFFFAOYSA-N 1 1 337.423 3.871 50 0 EHAAMO Cc1c(C(=O)Nc2cc(C)ccc2NC(C)C)cnn1-c1cc[nH+]cc1 ZINC000095445433 564140545 /nfs/dbraw/zinc/14/05/45/564140545.db2.gz HKSCUMJUGJGGHG-UHFFFAOYSA-N 1 1 349.438 3.957 50 0 EHAAMO 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50 0 EHAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000091872264 218081399 /nfs/dbraw/zinc/08/13/99/218081399.db2.gz QNGBTUZUWPMICR-UHFFFAOYSA-N 1 1 337.448 3.567 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010051820 211144432 /nfs/dbraw/zinc/14/44/32/211144432.db2.gz DVXFWBHSIFTDDJ-XQQFMLRXSA-N 1 1 344.377 3.890 50 0 EHAAMO CC(=O)Nc1ccccc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000095436218 218378324 /nfs/dbraw/zinc/37/83/24/218378324.db2.gz FUOAUZKZADDZRV-UHFFFAOYSA-N 1 1 339.483 3.645 50 0 EHAAMO CC(=O)Nc1ccccc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000095436218 218378325 /nfs/dbraw/zinc/37/83/25/218378325.db2.gz FUOAUZKZADDZRV-UHFFFAOYSA-N 1 1 339.483 3.645 50 0 EHAAMO C[C@@H]1C[N@@H+](CCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000013153579 207361187 /nfs/dbraw/zinc/36/11/87/207361187.db2.gz AUKVZJDZUISANR-CALCHBBNSA-N 1 1 327.424 3.967 50 0 EHAAMO C[C@@H]1C[N@H+](CCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000013153579 207361194 /nfs/dbraw/zinc/36/11/94/207361194.db2.gz AUKVZJDZUISANR-CALCHBBNSA-N 1 1 327.424 3.967 50 0 EHAAMO Cc1ccc(-c2cccc(C(=O)N3C[C@@H]4CCC[C@@H](C4)C3)c2)c(N)[nH+]1 ZINC000426395103 257970235 /nfs/dbraw/zinc/97/02/35/257970235.db2.gz BFRHEGABONTGNU-IYBDPMFKSA-N 1 1 335.451 3.901 50 0 EHAAMO CSCC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000299778559 258088455 /nfs/dbraw/zinc/08/84/55/258088455.db2.gz GXATXNDIDYKHAX-HXUWFJFHSA-N 1 1 332.557 3.974 50 0 EHAAMO CC[N@@H+](C)C1(CNC(=O)Nc2cc(C)c(OC)c(C)c2)CCCC1 ZINC000299787812 258094225 /nfs/dbraw/zinc/09/42/25/258094225.db2.gz QTKNVLPGRUJCDE-UHFFFAOYSA-N 1 1 333.476 3.698 50 0 EHAAMO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)c1 ZINC000299755413 258074310 /nfs/dbraw/zinc/07/43/10/258074310.db2.gz CCZQVIVINGFGDN-HBMCJLEFSA-N 1 1 334.463 3.837 50 0 EHAAMO Cc1ccsc1C[N@@H+]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000299767146 258081268 /nfs/dbraw/zinc/08/12/68/258081268.db2.gz FSFXOIAONBUOSR-UHFFFAOYSA-N 1 1 348.899 3.944 50 0 EHAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055543124 132195852 /nfs/dbraw/zinc/19/58/52/132195852.db2.gz SYKPMOQPUMYTKO-UHFFFAOYSA-N 1 1 346.858 3.679 50 0 EHAAMO Cc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCOCC3)c2c1 ZINC000036058129 132390690 /nfs/dbraw/zinc/39/06/90/132390690.db2.gz HYAJBKVPAVEGDQ-UHFFFAOYSA-N 1 1 332.403 3.611 50 0 EHAAMO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1cnc(N2CCCC2)s1 ZINC000215386683 536460855 /nfs/dbraw/zinc/46/08/55/536460855.db2.gz CTWCKBKWPMYGJZ-UHFFFAOYSA-N 1 1 344.459 3.996 50 0 EHAAMO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1cnc(N2CCCC2)s1 ZINC000215386683 536460858 /nfs/dbraw/zinc/46/08/58/536460858.db2.gz CTWCKBKWPMYGJZ-UHFFFAOYSA-N 1 1 344.459 3.996 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000013145823 563691406 /nfs/dbraw/zinc/69/14/06/563691406.db2.gz RJDRSELFTKMTNZ-ZIAGYGMSSA-N 1 1 332.271 3.998 50 0 EHAAMO O=C(O[C@H](C[NH+]1CCCCC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000001395967 563386361 /nfs/dbraw/zinc/38/63/61/563386361.db2.gz 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/nfs/dbraw/zinc/65/76/92/563657692.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 1 1 341.474 3.607 50 0 EHAAMO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 ZINC000012430716 563660864 /nfs/dbraw/zinc/66/08/64/563660864.db2.gz DUILLNOYQXWXND-CQSZACIVSA-N 1 1 347.409 3.585 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 ZINC000012430716 563660868 /nfs/dbraw/zinc/66/08/68/563660868.db2.gz DUILLNOYQXWXND-CQSZACIVSA-N 1 1 347.409 3.585 50 0 EHAAMO C[NH+]1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000012811039 563674806 /nfs/dbraw/zinc/67/48/06/563674806.db2.gz LAGIHDWBQYTNHJ-UHFFFAOYSA-N 1 1 344.871 3.764 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000012971569 563679168 /nfs/dbraw/zinc/67/91/68/563679168.db2.gz YLJMWIBMAVWQSQ-QGZVFWFLSA-N 1 1 328.481 3.682 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000012971569 563679171 /nfs/dbraw/zinc/67/91/71/563679171.db2.gz YLJMWIBMAVWQSQ-QGZVFWFLSA-N 1 1 328.481 3.682 50 0 EHAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000013116873 563688487 /nfs/dbraw/zinc/68/84/87/563688487.db2.gz WQSJKFDKTGKSBV-YLJYHZDGSA-N 1 1 325.452 3.825 50 0 EHAAMO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015065228 563775006 /nfs/dbraw/zinc/77/50/06/563775006.db2.gz PFFJLKJTEBAJPO-HXUWFJFHSA-N 1 1 342.414 3.547 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2C)N3)C1 ZINC000004556129 563779245 /nfs/dbraw/zinc/77/92/45/563779245.db2.gz PGVIOIQHMUMYCB-INIZCTEOSA-N 1 1 327.453 3.863 50 0 EHAAMO CCCCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000015831464 563792970 /nfs/dbraw/zinc/79/29/70/563792970.db2.gz CBAHOTVHHZPSEG-GOSISDBHSA-N 1 1 344.455 3.881 50 0 EHAAMO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000018286265 563852318 /nfs/dbraw/zinc/85/23/18/563852318.db2.gz BUBMOMNOVFVHTB-UHFFFAOYSA-N 1 1 339.508 3.818 50 0 EHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2cccs2)CC1 ZINC000005027978 563919180 /nfs/dbraw/zinc/91/91/80/563919180.db2.gz JDUCMBYBGXMHJY-UHFFFAOYSA-N 1 1 349.887 3.796 50 0 EHAAMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([C@H]2CCCCO2)o1 ZINC000055245211 563934179 /nfs/dbraw/zinc/93/41/79/563934179.db2.gz VVJYYNCQQBVSPE-GOSISDBHSA-N 1 1 331.460 3.913 50 0 EHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1F ZINC000058195248 563939534 /nfs/dbraw/zinc/93/95/34/563939534.db2.gz JZCXZBLMUYTLMW-CQSZACIVSA-N 1 1 332.444 3.529 50 0 EHAAMO COc1c(C[NH2+][C@@H](c2cccs2)c2ccc(C)cc2)c(C)nn1C ZINC000058407325 563945250 /nfs/dbraw/zinc/94/52/50/563945250.db2.gz SAEJJQKMXWHELQ-GOSISDBHSA-N 1 1 341.480 3.986 50 0 EHAAMO CNc1ncccc1C[N@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065435754 563960944 /nfs/dbraw/zinc/96/09/44/563960944.db2.gz BKXPXNZVSYULPV-GOSISDBHSA-N 1 1 345.450 3.570 50 0 EHAAMO CCCCc1ccc(C[N@H+]2CCC[C@]3(CCN(C(C)=O)C3)C2)s1 ZINC000067588921 563962395 /nfs/dbraw/zinc/96/23/95/563962395.db2.gz RORREGYDMLJOQR-IBGZPJMESA-N 1 1 334.529 3.925 50 0 EHAAMO C[C@@]1(O)CC[N@@H+](Cc2ccc(O)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000067688788 563962506 /nfs/dbraw/zinc/96/25/06/563962506.db2.gz LAMNISPNADSPEL-FXAWDEMLSA-N 1 1 345.870 3.861 50 0 EHAAMO CC(C)=CC(=O)NC[C@H]1CC[N@@H+](Cc2[nH]c3ccc(C)cc3c2C)C1 ZINC000067818989 563962834 /nfs/dbraw/zinc/96/28/34/563962834.db2.gz RHVFJKYWCFHOIB-QGZVFWFLSA-N 1 1 339.483 3.689 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000077354225 563969140 /nfs/dbraw/zinc/96/91/40/563969140.db2.gz ZZMVUFQEUOTACY-ZDUSSCGKSA-N 1 1 328.441 3.814 50 0 EHAAMO COc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CCc2nccn2C)cc1 ZINC000077554920 563970344 /nfs/dbraw/zinc/97/03/44/563970344.db2.gz CITLRPNRMJCOIU-ZMBJWTFHSA-N 1 1 339.483 3.929 50 0 EHAAMO CSc1ccccc1C(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000082155833 563972749 /nfs/dbraw/zinc/97/27/49/563972749.db2.gz CYRCRNVBGXEFPF-INIZCTEOSA-N 1 1 343.496 3.998 50 0 EHAAMO Cc1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)c(C)c(C)[nH+]1 ZINC000091914845 563975862 /nfs/dbraw/zinc/97/58/62/563975862.db2.gz FMWFQSRCSJEPQN-UHFFFAOYSA-N 1 1 338.455 3.640 50 0 EHAAMO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c1 ZINC000092062129 563976023 /nfs/dbraw/zinc/97/60/23/563976023.db2.gz QVHFPXUGNBPKNH-PKOBYXMFSA-N 1 1 327.497 3.548 50 0 EHAAMO Cc1ccccc1[C@@H](C(=O)NCc1ccc(F)cc1Cl)[NH+](C)C ZINC000095499434 563977046 /nfs/dbraw/zinc/97/70/46/563977046.db2.gz KSYCFQPXHIANKL-KRWDZBQOSA-N 1 1 334.822 3.707 50 0 EHAAMO Cc1nc(C[C@@H](C)n2cc[nH+]c2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000096133533 563979401 /nfs/dbraw/zinc/97/94/01/563979401.db2.gz YUNVZTPFQGHUBR-LLVKDONJSA-N 1 1 349.360 3.903 50 0 EHAAMO Cc1nnc([C@@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271972 563986681 /nfs/dbraw/zinc/98/66/81/563986681.db2.gz CAFNUFOHQLFTCI-HUUCEWRRSA-N 1 1 336.549 3.884 50 0 EHAAMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000189166516 563996463 /nfs/dbraw/zinc/99/64/63/563996463.db2.gz WCAYDQBKFYSAGU-IIBYNOLFSA-N 1 1 325.836 3.689 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005348800 564002977 /nfs/dbraw/zinc/00/29/77/564002977.db2.gz GRUUTXSLUORAFV-UXHICEINSA-N 1 1 332.532 3.907 50 0 EHAAMO CCN(CC)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000003414610 564004487 /nfs/dbraw/zinc/00/44/87/564004487.db2.gz HUOOIIIBUNCGTJ-UHFFFAOYSA-N 1 1 343.446 3.742 50 0 EHAAMO CCN(CC)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000003414610 564004488 /nfs/dbraw/zinc/00/44/88/564004488.db2.gz HUOOIIIBUNCGTJ-UHFFFAOYSA-N 1 1 343.446 3.742 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245214 564011461 /nfs/dbraw/zinc/01/14/61/564011461.db2.gz IESQPBKYIUAJGX-YLJYHZDGSA-N 1 1 325.452 3.968 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(O)c(OC)c1 ZINC000004987389 564013921 /nfs/dbraw/zinc/01/39/21/564013921.db2.gz UNJVSPPJXWHZBS-GFCCVEGCSA-N 1 1 328.250 3.928 50 0 EHAAMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)n1 ZINC000189088892 564014547 /nfs/dbraw/zinc/01/45/47/564014547.db2.gz RMPKCZWTMLUUPB-NRFANRHFSA-N 1 1 349.478 3.502 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000105878720 564025332 /nfs/dbraw/zinc/02/53/32/564025332.db2.gz LAZMADIPOGCJSZ-NJDAHSKKSA-N 1 1 340.511 3.875 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccco2)C1 ZINC000048885366 564032293 /nfs/dbraw/zinc/03/22/93/564032293.db2.gz ZBQHQOGGAXZVMT-IYBDPMFKSA-N 1 1 326.440 3.688 50 0 EHAAMO Cc1ncc(C[N@@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000051408318 564033205 /nfs/dbraw/zinc/03/32/05/564033205.db2.gz KPFGGSRDWWZYMH-AWEZNQCLSA-N 1 1 330.375 3.636 50 0 EHAAMO c1ccc(CCN(CC[N@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccn2)cc1 ZINC000240128275 564051730 /nfs/dbraw/zinc/05/17/30/564051730.db2.gz IPFQXPNCKSTYPI-RBBKRZOGSA-N 1 1 335.495 3.611 50 0 EHAAMO CCc1ccccc1NC(=O)CC[N@@H+](C)CCc1scnc1C ZINC000244858424 564052367 /nfs/dbraw/zinc/05/23/67/564052367.db2.gz VKXHWYROTOPAQW-UHFFFAOYSA-N 1 1 331.485 3.517 50 0 EHAAMO O=C(CC[N@H+]1CCCC[C@H]1c1ccccn1)Nc1ccccc1F ZINC000252483797 564053386 /nfs/dbraw/zinc/05/33/86/564053386.db2.gz FINQUSWUJONYTJ-SFHVURJKSA-N 1 1 327.403 3.777 50 0 EHAAMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000052211820 564053877 /nfs/dbraw/zinc/05/38/77/564053877.db2.gz JSBQNWMYEYUZBV-GOSISDBHSA-N 1 1 340.492 3.778 50 0 EHAAMO O[C@@H](C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000084501590 564068287 /nfs/dbraw/zinc/06/82/87/564068287.db2.gz JUKXMLWUCHXNJI-BBRMVZONSA-N 1 1 347.846 3.513 50 0 EHAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000084760848 564070105 /nfs/dbraw/zinc/07/01/05/564070105.db2.gz ZFQDKACNDCLRSY-CABCVRRESA-N 1 1 335.517 3.916 50 0 EHAAMO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2CCC ZINC000015669128 564070386 /nfs/dbraw/zinc/07/03/86/564070386.db2.gz KCHSGYZJNTXKAU-UHFFFAOYSA-N 1 1 328.460 3.781 50 0 EHAAMO Cn1nccc1C[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000185442480 564073806 /nfs/dbraw/zinc/07/38/06/564073806.db2.gz XQPXSNQVZVMPMI-OAHLLOKOSA-N 1 1 342.443 3.850 50 0 EHAAMO COc1cccc(NC2CC[NH+](Cc3ccncc3Cl)CC2)c1 ZINC000074992200 564079718 /nfs/dbraw/zinc/07/97/18/564079718.db2.gz XDIZVXOWMBRLEY-UHFFFAOYSA-N 1 1 331.847 3.820 50 0 EHAAMO Cc1c(C(=O)N2CCC[C@H]2CC(C)(C)C)cnn1-c1cc[nH+]cc1 ZINC000090497202 564084513 /nfs/dbraw/zinc/08/45/13/564084513.db2.gz GOAMENVBEFYDKJ-INIZCTEOSA-N 1 1 326.444 3.617 50 0 EHAAMO Cc1nc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cs1 ZINC000096424537 564086440 /nfs/dbraw/zinc/08/64/40/564086440.db2.gz RPCDNAPTGKOJSQ-UHFFFAOYSA-N 1 1 330.379 3.573 50 0 EHAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000089375267 564089949 /nfs/dbraw/zinc/08/99/49/564089949.db2.gz SIWHKQFZCQBYBS-IAQYHMDHSA-N 1 1 342.270 3.941 50 0 EHAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000064590869 564092574 /nfs/dbraw/zinc/09/25/74/564092574.db2.gz CNIDEEABDNHSAQ-UHFFFAOYSA-N 1 1 341.842 3.678 50 0 EHAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590834 564092597 /nfs/dbraw/zinc/09/25/97/564092597.db2.gz AWGDPUSRHXGITJ-UHFFFAOYSA-N 1 1 341.842 3.678 50 0 EHAAMO Cc1[nH+]ccn1CCNC(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000426392724 564093578 /nfs/dbraw/zinc/09/35/78/564093578.db2.gz GBOIWFIWZMDSLJ-SFHVURJKSA-N 1 1 344.434 3.658 50 0 EHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc4cc(C)ccc4n3C)[C@H]2C1 ZINC000426658306 564094306 /nfs/dbraw/zinc/09/43/06/564094306.db2.gz IOPDPOGQCZHOHO-SESVDKBCSA-N 1 1 342.483 3.645 50 0 EHAAMO Cc1cccc(CNC(=O)C2=CC[N@@H+](Cc3cccc(F)c3)CC2)c1 ZINC000064818073 564096519 /nfs/dbraw/zinc/09/65/19/564096519.db2.gz NADMMLYIGXGKCR-UHFFFAOYSA-N 1 1 338.426 3.583 50 0 EHAAMO COc1ccccc1C[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000006913102 564101246 /nfs/dbraw/zinc/10/12/46/564101246.db2.gz OQXHHNGDROEFLR-UHFFFAOYSA-N 1 1 349.430 3.922 50 0 EHAAMO COc1ccccc1C[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000006913102 564101247 /nfs/dbraw/zinc/10/12/47/564101247.db2.gz OQXHHNGDROEFLR-UHFFFAOYSA-N 1 1 349.430 3.922 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000249695910 564111688 /nfs/dbraw/zinc/11/16/88/564111688.db2.gz RVDFPKGOWQBTKD-NTFDOXNWSA-N 1 1 343.515 3.695 50 0 EHAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000249695907 564111702 /nfs/dbraw/zinc/11/17/02/564111702.db2.gz RVDFPKGOWQBTKD-GHBBCFCZSA-N 1 1 343.515 3.695 50 0 EHAAMO O=C(c1ccccc1F)N1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000089809640 564113981 /nfs/dbraw/zinc/11/39/81/564113981.db2.gz PZOJNLYHQJXEPA-UHFFFAOYSA-N 1 1 333.794 3.591 50 0 EHAAMO O=C(CC[N@@H+]1CCCC[C@H]1c1nccs1)Nc1ccccc1F ZINC000195439822 564123492 /nfs/dbraw/zinc/12/34/92/564123492.db2.gz CMXMQOXFQCVGBD-HNNXBMFYSA-N 1 1 333.432 3.838 50 0 EHAAMO O=C(CC[N@H+]1CCCC[C@H]1c1nccs1)Nc1ccccc1F ZINC000195439822 564123493 /nfs/dbraw/zinc/12/34/93/564123493.db2.gz CMXMQOXFQCVGBD-HNNXBMFYSA-N 1 1 333.432 3.838 50 0 EHAAMO O=C(NCc1ccccc1)c1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253370505 564130309 /nfs/dbraw/zinc/13/03/09/564130309.db2.gz RQMYPROBRWNRTK-RTWAWAEBSA-N 1 1 349.478 3.655 50 0 EHAAMO c1nc(CN2CCC[N@H+](Cc3cnc(C4CCC4)s3)CC2)cs1 ZINC000093016398 564136896 /nfs/dbraw/zinc/13/68/96/564136896.db2.gz WRHFMNTWTPLGDB-UHFFFAOYSA-N 1 1 348.541 3.575 50 0 EHAAMO c1nc(CN2CCC[N@@H+](Cc3cnc(C4CCC4)s3)CC2)cs1 ZINC000093016398 564136897 /nfs/dbraw/zinc/13/68/97/564136897.db2.gz WRHFMNTWTPLGDB-UHFFFAOYSA-N 1 1 348.541 3.575 50 0 EHAAMO COc1cc(OC)c([C@H](C)[NH2+]Cc2cccnc2OC)cc1Cl ZINC000095420088 564139876 /nfs/dbraw/zinc/13/98/76/564139876.db2.gz FTMLDKSUWTYTAG-NSHDSACASA-N 1 1 336.819 3.612 50 0 EHAAMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000095941366 564142065 /nfs/dbraw/zinc/14/20/65/564142065.db2.gz DNMZSGKNZKRJDJ-MRXNPFEDSA-N 1 1 342.487 3.670 50 0 EHAAMO CC(C)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977823 564143586 /nfs/dbraw/zinc/14/35/86/564143586.db2.gz FFKSPTIXWZPDAW-CZUORRHYSA-N 1 1 341.858 3.522 50 0 EHAAMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1O ZINC000095995989 564144240 /nfs/dbraw/zinc/14/42/40/564144240.db2.gz YDNNGSZZQZWIST-CABCVRRESA-N 1 1 345.405 3.857 50 0 EHAAMO C[N@H+]1CCC[C@H](CNC(=O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096409953 564147554 /nfs/dbraw/zinc/14/75/54/564147554.db2.gz JSNCTWAZEPCIQY-ZBFHGGJFSA-N 1 1 340.389 3.615 50 0 EHAAMO Cn1nccc1CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285027688 564149458 /nfs/dbraw/zinc/14/94/58/564149458.db2.gz MUYZQCDDZIMJFF-LJQANCHMSA-N 1 1 335.455 3.580 50 0 EHAAMO C[N@@H+](CCCNC(=O)c1cc(Cl)c(Cl)[nH]1)C1CCCCC1 ZINC000097292129 564149600 /nfs/dbraw/zinc/14/96/00/564149600.db2.gz LTSLWDWGHVVLLX-UHFFFAOYSA-N 1 1 332.275 3.706 50 0 EHAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000003216041 564156086 /nfs/dbraw/zinc/15/60/86/564156086.db2.gz BDDFHKQCQVEDIO-LJQANCHMSA-N 1 1 327.468 3.990 50 0 EHAAMO Cc1cc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc(C(C)C)c1 ZINC000003264953 564156753 /nfs/dbraw/zinc/15/67/53/564156753.db2.gz MFSFAIBGVJXGNV-NRFANRHFSA-N 1 1 339.479 3.916 50 0 EHAAMO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151116 564158188 /nfs/dbraw/zinc/15/81/88/564158188.db2.gz IHLXVUHEUKUVGG-KXBFYZLASA-N 1 1 336.907 3.882 50 0 EHAAMO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151116 564158189 /nfs/dbraw/zinc/15/81/89/564158189.db2.gz IHLXVUHEUKUVGG-KXBFYZLASA-N 1 1 336.907 3.882 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)NC1CCCCC1 ZINC000003999393 564159934 /nfs/dbraw/zinc/15/99/34/564159934.db2.gz JDKKNZCTQZVUAU-PKOBYXMFSA-N 1 1 343.540 3.810 50 0 biogenic EHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315292 564161638 /nfs/dbraw/zinc/16/16/38/564161638.db2.gz XSRFHSULIRXQDP-INIZCTEOSA-N 1 1 348.450 3.689 50 0 EHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315292 564161639 /nfs/dbraw/zinc/16/16/39/564161639.db2.gz XSRFHSULIRXQDP-INIZCTEOSA-N 1 1 348.450 3.689 50 0 EHAAMO CCOC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714127 564166643 /nfs/dbraw/zinc/16/66/43/564166643.db2.gz IZZWIWUVASGRKK-ZDUSSCGKSA-N 1 1 342.439 3.657 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000040496536 564170001 /nfs/dbraw/zinc/17/00/01/564170001.db2.gz WEIYVXIFQFRYDY-CABCVRRESA-N 1 1 342.443 3.605 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000040496536 564170002 /nfs/dbraw/zinc/17/00/02/564170002.db2.gz WEIYVXIFQFRYDY-CABCVRRESA-N 1 1 342.443 3.605 50 0 EHAAMO Cc1[nH]c2ccccc2c1CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000040821692 564172258 /nfs/dbraw/zinc/17/22/58/564172258.db2.gz DOGDFBYBQBHFSQ-UHFFFAOYSA-N 1 1 345.406 3.547 50 0 EHAAMO Cc1ccccc1C[N@@H+]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000021640258 564177300 /nfs/dbraw/zinc/17/73/00/564177300.db2.gz HUXXYPHDIPUICD-UHFFFAOYSA-N 1 1 336.483 3.580 50 0 EHAAMO Cc1ccccc1C[N@H+]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000021640258 564177301 /nfs/dbraw/zinc/17/73/01/564177301.db2.gz HUXXYPHDIPUICD-UHFFFAOYSA-N 1 1 336.483 3.580 50 0 EHAAMO Fc1ccc(C[N@H+](Cc2ncc(C3CC3)o2)C2CCOCC2)cc1 ZINC000287602933 1017375343 /nfs/dbraw/zinc/37/53/43/1017375343.db2.gz DGYYYRSKKDVZSS-UHFFFAOYSA-N 1 1 330.403 3.872 50 0 EHAAMO Fc1ccc(C[N@@H+](Cc2ncc(C3CC3)o2)C2CCOCC2)cc1 ZINC000287602933 1017375358 /nfs/dbraw/zinc/37/53/58/1017375358.db2.gz DGYYYRSKKDVZSS-UHFFFAOYSA-N 1 1 330.403 3.872 50 0 EHAAMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cnn(CC(C)C)c1)CCO2 ZINC000187549038 1022330694 /nfs/dbraw/zinc/33/06/94/1022330694.db2.gz JXPQPDGHJAXGRZ-GOSISDBHSA-N 1 1 329.444 3.551 50 0 EHAAMO Cc1csc(C[N@H+](C)[C@@H]2CCC(=O)N(CCCC(C)C)CC2)n1 ZINC000023310581 1035073126 /nfs/dbraw/zinc/07/31/26/1035073126.db2.gz KYHYWXMQJFJOSM-MRXNPFEDSA-N 1 1 337.533 3.701 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581816734 1035625908 /nfs/dbraw/zinc/62/59/08/1035625908.db2.gz NBCVAPPWPNRMON-KRWDZBQOSA-N 1 1 346.519 3.898 50 0 EHAAMO CCC(=O)N1CCC[C@H](Cc2[nH+]cc(C)n2Cc2ccc(F)cc2)C1 ZINC000581816859 1035630567 /nfs/dbraw/zinc/63/05/67/1035630567.db2.gz PJYRYQKACXOWFH-QGZVFWFLSA-N 1 1 343.446 3.570 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)c2ccc(C)nc2)n1C1CCCCCC1 ZINC000581815272 1038700184 /nfs/dbraw/zinc/70/01/84/1038700184.db2.gz ARYLIDTUTOVQCR-UHFFFAOYSA-N 1 1 340.471 3.763 50 0 EHAAMO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)o1 ZINC000012576776 1129438176 /nfs/dbraw/zinc/43/81/76/1129438176.db2.gz POXORRCGADFZDP-INIZCTEOSA-N 1 1 343.423 3.530 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)o1 ZINC000012576776 1129438177 /nfs/dbraw/zinc/43/81/77/1129438177.db2.gz POXORRCGADFZDP-INIZCTEOSA-N 1 1 343.423 3.530 50 0 EHAAMO Cc1[nH]c2ccccc2c1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000585129951 1137019464 /nfs/dbraw/zinc/01/94/64/1137019464.db2.gz CSRUBZHXYWIEJT-KRWDZBQOSA-N 1 1 348.450 3.722 50 0 EHAAMO C[N@@H+](CCCOc1ccccc1Cl)C1CSCCSC1 ZINC000952873926 1137483204 /nfs/dbraw/zinc/48/32/04/1137483204.db2.gz RALIDHKAGUMTSU-UHFFFAOYSA-N 1 1 331.934 3.889 50 0 EHAAMO CC(C)c1ncc(C[NH2+]CCCc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000952982868 1137485350 /nfs/dbraw/zinc/48/53/50/1137485350.db2.gz RKFVASIAOMCNCA-UHFFFAOYSA-N 1 1 343.862 3.852 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000010204268 201795362 /nfs/dbraw/zinc/79/53/62/201795362.db2.gz AIMXHQVUKXIWMD-OAHLLOKOSA-N 1 1 346.521 3.704 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000010204268 201795364 /nfs/dbraw/zinc/79/53/64/201795364.db2.gz AIMXHQVUKXIWMD-OAHLLOKOSA-N 1 1 346.521 3.704 50 0 EHAAMO Cc1ccccc1C[N@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012439813 201846813 /nfs/dbraw/zinc/84/68/13/201846813.db2.gz GPISMHOZYOQRTE-OAQYLSRUSA-N 1 1 327.443 3.951 50 0 EHAAMO Cc1nnc(-c2ccccc2-c2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000067755526 215203540 /nfs/dbraw/zinc/20/35/40/215203540.db2.gz XMAAIBWKKCGLDA-UHFFFAOYSA-N 1 1 335.407 3.544 50 0 EHAAMO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000019744492 202017784 /nfs/dbraw/zinc/01/77/84/202017784.db2.gz LYLWYSHPZSHOHR-NRFANRHFSA-N 1 1 328.500 3.590 50 0 EHAAMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1cccc(OC)c1 ZINC000019864779 202023625 /nfs/dbraw/zinc/02/36/25/202023625.db2.gz WPFWQZMEWMXGFF-OAQYLSRUSA-N 1 1 326.484 3.910 50 0 EHAAMO C[N@H+]1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000020254668 202036777 /nfs/dbraw/zinc/03/67/77/202036777.db2.gz WGAROTJWDYWRCA-UHFFFAOYSA-N 1 1 334.341 3.946 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000020418547 202041463 /nfs/dbraw/zinc/04/14/63/202041463.db2.gz CZADFTOAFKOPBH-UHFFFAOYSA-N 1 1 349.478 3.833 50 0 EHAAMO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cc1 ZINC000020472871 202044142 /nfs/dbraw/zinc/04/41/42/202044142.db2.gz FDMQLKLVORZYDG-GOSISDBHSA-N 1 1 344.499 3.541 50 0 EHAAMO CCc1cccc(OCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000020500029 202045966 /nfs/dbraw/zinc/04/59/66/202045966.db2.gz YYCZGRRVIBCKJL-UHFFFAOYSA-N 1 1 338.495 3.836 50 0 EHAAMO CCC(CC)c1n[nH]c2c1C[N@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000020599591 202050488 /nfs/dbraw/zinc/05/04/88/202050488.db2.gz PPXINUDCUAGBNV-UHFFFAOYSA-N 1 1 335.883 3.567 50 0 EHAAMO CCC(CC)c1n[nH]c2c1C[N@@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000020599591 202050490 /nfs/dbraw/zinc/05/04/90/202050490.db2.gz PPXINUDCUAGBNV-UHFFFAOYSA-N 1 1 335.883 3.567 50 0 EHAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1OC ZINC000021720942 202069087 /nfs/dbraw/zinc/06/90/87/202069087.db2.gz DUTPFMYNZPBTHO-MRXNPFEDSA-N 1 1 330.428 3.900 50 0 EHAAMO CC(C)(CNC(=O)c1cc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000025898207 202136733 /nfs/dbraw/zinc/13/67/33/202136733.db2.gz BPVFSCKGSUUZKH-UHFFFAOYSA-N 1 1 347.462 3.735 50 0 EHAAMO C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)c1ccccc1Cl ZINC000038677349 202145288 /nfs/dbraw/zinc/14/52/88/202145288.db2.gz BFRORLWTTRDMFT-HNNXBMFYSA-N 1 1 337.876 3.504 50 0 EHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2F)c1 ZINC000026907215 202150877 /nfs/dbraw/zinc/15/08/77/202150877.db2.gz UGHNMSXPWFTCHD-RTBURBONSA-N 1 1 345.414 3.713 50 0 EHAAMO CN(C(=O)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000027782488 202160413 /nfs/dbraw/zinc/16/04/13/202160413.db2.gz LBNSSJCITYZJHU-UHFFFAOYSA-N 1 1 326.484 3.798 50 0 EHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000029719036 202190228 /nfs/dbraw/zinc/19/02/28/202190228.db2.gz VWMIKQHKWFIJMN-IBGZPJMESA-N 1 1 349.409 3.977 50 0 EHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000029719036 202190232 /nfs/dbraw/zinc/19/02/32/202190232.db2.gz VWMIKQHKWFIJMN-IBGZPJMESA-N 1 1 349.409 3.977 50 0 EHAAMO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000030921201 202201403 /nfs/dbraw/zinc/20/14/03/202201403.db2.gz BPVIFAWPGAFHDK-VIFPVBQESA-N 1 1 342.262 3.793 50 0 EHAAMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000030921201 202201406 /nfs/dbraw/zinc/20/14/06/202201406.db2.gz BPVIFAWPGAFHDK-VIFPVBQESA-N 1 1 342.262 3.793 50 0 EHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000032912069 202241961 /nfs/dbraw/zinc/24/19/61/202241961.db2.gz PRDDOLCVXYLAGN-MRXNPFEDSA-N 1 1 346.833 3.874 50 0 EHAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000069585701 202286199 /nfs/dbraw/zinc/28/61/99/202286199.db2.gz UDLCVVUVZHRAIT-PMACEKPBSA-N 1 1 339.483 3.576 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 ZINC000069919547 202292284 /nfs/dbraw/zinc/29/22/84/202292284.db2.gz WPSWWIVTWNPLJP-QGZVFWFLSA-N 1 1 340.471 3.676 50 0 EHAAMO Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000069848639 202295837 /nfs/dbraw/zinc/29/58/37/202295837.db2.gz HHIMYXMGFFGPBR-BBRMVZONSA-N 1 1 344.459 3.579 50 0 EHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095169 202314403 /nfs/dbraw/zinc/31/44/03/202314403.db2.gz CXVLPAIUQQBNFK-FQEVSTJZSA-N 1 1 327.468 3.757 50 0 EHAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C(C)C ZINC000036104140 202315840 /nfs/dbraw/zinc/31/58/40/202315840.db2.gz DOAMTWTZGCEJPY-GOSISDBHSA-N 1 1 349.421 3.924 50 0 EHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000071870806 202350173 /nfs/dbraw/zinc/35/01/73/202350173.db2.gz HMTXYBHJLJTTJE-HNNXBMFYSA-N 1 1 347.409 3.520 50 0 EHAAMO C[N@@H+](CC(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1)C1CC1 ZINC000076051393 202385321 /nfs/dbraw/zinc/38/53/21/202385321.db2.gz JZEXKOJACXNTBC-AWEZNQCLSA-N 1 1 335.517 3.588 50 0 EHAAMO FC(F)(F)Oc1cccc(C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000076397762 202388492 /nfs/dbraw/zinc/38/84/92/202388492.db2.gz ITIMKJVPQFNRBM-UHFFFAOYSA-N 1 1 327.331 3.584 50 0 EHAAMO O=C(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000340372 201357247 /nfs/dbraw/zinc/35/72/47/201357247.db2.gz GZIISXIDAZYOLI-GOSISDBHSA-N 1 1 337.419 3.520 50 0 biogenic,in-man EHAAMO O=c1cc(C[N@H+]2CCC[C@H]2c2ccsc2)nc2ccc(Cl)cn12 ZINC000044977631 202542355 /nfs/dbraw/zinc/54/23/55/202542355.db2.gz AJLZBMKLYLGBHF-HNNXBMFYSA-N 1 1 345.855 3.747 50 0 EHAAMO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000048299698 202598369 /nfs/dbraw/zinc/59/83/69/202598369.db2.gz AYJDEIVZHQLWCW-QGZVFWFLSA-N 1 1 331.437 3.751 50 0 EHAAMO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)[nH]1 ZINC000216502186 241200010 /nfs/dbraw/zinc/20/00/10/241200010.db2.gz VKWREQDTDODBJU-IBGZPJMESA-N 1 1 347.890 3.808 50 0 EHAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@@](O)(c3ccccc3C)C2)[nH]1 ZINC000216502186 241200015 /nfs/dbraw/zinc/20/00/15/241200015.db2.gz VKWREQDTDODBJU-IBGZPJMESA-N 1 1 347.890 3.808 50 0 EHAAMO C[N@H+](Cc1cnc(C2CCCCC2)nc1)C[C@H](O)c1ccccc1 ZINC000215492812 241127898 /nfs/dbraw/zinc/12/78/98/241127898.db2.gz JBMUJBUFGYWXDR-IBGZPJMESA-N 1 1 325.456 3.690 50 0 EHAAMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000215566213 241130658 /nfs/dbraw/zinc/13/06/58/241130658.db2.gz JWSRRGAVEAYJBN-JOCHJYFZSA-N 1 1 347.462 3.583 50 0 EHAAMO O=C(c1c(F)cccc1F)N1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000225846901 242060702 /nfs/dbraw/zinc/06/07/02/242060702.db2.gz CZONSTQCJFWDIU-HNNXBMFYSA-N 1 1 334.410 3.612 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)c2cccnc12 ZINC000244811631 243084101 /nfs/dbraw/zinc/08/41/01/243084101.db2.gz SICVTTGUUVCIJI-UHFFFAOYSA-N 1 1 346.434 3.832 50 0 EHAAMO c1ncn(C2CCCCC2)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000244884246 243097187 /nfs/dbraw/zinc/09/71/87/243097187.db2.gz YIIFFOUVMFQDGX-UHFFFAOYSA-N 1 1 330.520 3.839 50 0 EHAAMO CC[C@](CO)([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000069657157 203032690 /nfs/dbraw/zinc/03/26/90/203032690.db2.gz KGGLZMNNNWDQHA-HXUWFJFHSA-N 1 1 340.398 3.868 50 0 EHAAMO C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069655995 203033584 /nfs/dbraw/zinc/03/35/84/203033584.db2.gz GDENUZPTJUUGDN-CABCVRRESA-N 1 1 342.468 3.658 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000069664268 203034576 /nfs/dbraw/zinc/03/45/76/203034576.db2.gz BVVVQWLEIBRQLI-KXBFYZLASA-N 1 1 336.435 3.706 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000069664268 203034580 /nfs/dbraw/zinc/03/45/80/203034580.db2.gz BVVVQWLEIBRQLI-KXBFYZLASA-N 1 1 336.435 3.706 50 0 EHAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Nc1ccccc1C(F)(F)F ZINC000069698548 203036978 /nfs/dbraw/zinc/03/69/78/203036978.db2.gz NXCAAPZWSBHKMI-NSHDSACASA-N 1 1 340.349 3.668 50 0 EHAAMO CSc1ccc(-c2nc(C[N@H+]3CCC[C@H](CO)C3)c(C)o2)cc1 ZINC000071479558 203099197 /nfs/dbraw/zinc/09/91/97/203099197.db2.gz DCADMCKJEIAFCS-AWEZNQCLSA-N 1 1 332.469 3.576 50 0 EHAAMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCCOc1ccccc1 ZINC000071904284 203145357 /nfs/dbraw/zinc/14/53/57/203145357.db2.gz IISLHEBJVJEDDP-OAHLLOKOSA-N 1 1 338.411 3.594 50 0 EHAAMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCCOc1ccccc1 ZINC000071904284 203145361 /nfs/dbraw/zinc/14/53/61/203145361.db2.gz IISLHEBJVJEDDP-OAHLLOKOSA-N 1 1 338.411 3.594 50 0 EHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072151377 203172619 /nfs/dbraw/zinc/17/26/19/203172619.db2.gz JOZKRCGBVOSWBI-MVHVFESUSA-N 1 1 338.451 3.785 50 0 EHAAMO Cc1ncsc1CC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000072427283 203221958 /nfs/dbraw/zinc/22/19/58/203221958.db2.gz SPBASSVIWXIUPW-UHFFFAOYSA-N 1 1 330.432 3.655 50 0 EHAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111842 212102924 /nfs/dbraw/zinc/10/29/24/212102924.db2.gz ZNKHGLPRSPFOGY-MRXNPFEDSA-N 1 1 345.439 3.659 50 0 biogenic EHAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111842 212102927 /nfs/dbraw/zinc/10/29/27/212102927.db2.gz ZNKHGLPRSPFOGY-MRXNPFEDSA-N 1 1 345.439 3.659 50 0 biogenic EHAAMO Cc1ccc(-c2nc(C[NH2+]C[C@@H]3COc4ccccc4O3)co2)cc1 ZINC000075572257 203318286 /nfs/dbraw/zinc/31/82/86/203318286.db2.gz FQQDSCORFZSULW-QGZVFWFLSA-N 1 1 336.391 3.580 50 0 EHAAMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077303153 203377770 /nfs/dbraw/zinc/37/77/70/203377770.db2.gz NUJHLHXPXACRET-HXUWFJFHSA-N 1 1 349.482 3.822 50 0 EHAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccc(C)cc1 ZINC000077486789 203391134 /nfs/dbraw/zinc/39/11/34/203391134.db2.gz XRLPHLUJNAUPGG-LEWJYISDSA-N 1 1 348.446 3.845 50 0 EHAAMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000042797168 204148116 /nfs/dbraw/zinc/14/81/16/204148116.db2.gz ZIHDAECQQPZOIB-GFCCVEGCSA-N 1 1 349.402 3.711 50 0 EHAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000105870595 204173323 /nfs/dbraw/zinc/17/33/23/204173323.db2.gz PPUJVWBPSGBIEB-MSOLQXFVSA-N 1 1 340.467 3.572 50 0 EHAAMO C[NH+]1CCN(c2ccc3c4c2cccc4C(=O)c2ccccc2-3)CC1 ZINC000003880365 205672238 /nfs/dbraw/zinc/67/22/38/205672238.db2.gz SCAQXWAGKPYMNC-UHFFFAOYSA-N 1 1 328.415 3.803 50 0 EHAAMO Cc1csc(C2([NH2+]Cc3cc4ccccc4c(=O)[nH]3)CCCC2)n1 ZINC000154748138 205952644 /nfs/dbraw/zinc/95/26/44/205952644.db2.gz RMEGWGBMULAIQF-UHFFFAOYSA-N 1 1 339.464 3.852 50 0 EHAAMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(OC(C)(C)C)cc1 ZINC000157430047 206137250 /nfs/dbraw/zinc/13/72/50/206137250.db2.gz VENVJPRRDRZWIP-AWEZNQCLSA-N 1 1 328.460 3.643 50 0 EHAAMO C[C@@H]1C[N@@H+](CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153582 207360288 /nfs/dbraw/zinc/36/02/88/207360288.db2.gz OOVLVMWSMGXCRD-OKILXGFUSA-N 1 1 329.893 3.558 50 0 EHAAMO C[C@@H]1C[N@H+](CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153582 207360294 /nfs/dbraw/zinc/36/02/94/207360294.db2.gz OOVLVMWSMGXCRD-OKILXGFUSA-N 1 1 329.893 3.558 50 0 EHAAMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000107328489 207882483 /nfs/dbraw/zinc/88/24/83/207882483.db2.gz YOTIGWWHLXQCSZ-LSDHHAIUSA-N 1 1 335.517 3.929 50 0 EHAAMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000107328489 207882487 /nfs/dbraw/zinc/88/24/87/207882487.db2.gz YOTIGWWHLXQCSZ-LSDHHAIUSA-N 1 1 335.517 3.929 50 0 EHAAMO CC(C)(C)c1cnc(C[NH+]2CCC(CN3CCCCC3=O)CC2)s1 ZINC000328587960 258045794 /nfs/dbraw/zinc/04/57/94/258045794.db2.gz KMXQVJJHCDKCTC-UHFFFAOYSA-N 1 1 349.544 3.665 50 0 EHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 ZINC000299782469 258090617 /nfs/dbraw/zinc/09/06/17/258090617.db2.gz VUAHUUYVLSIKEE-RYGJVYDSSA-N 1 1 346.446 3.774 50 0 EHAAMO O=C(CC1=CCCC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000299786186 258092824 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CCOc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860045 563796587 /nfs/dbraw/zinc/79/65/87/563796587.db2.gz QPDRUVJJUFJKPT-GOSISDBHSA-N 1 1 342.439 3.635 50 0 EHAAMO Cc1cccc2c(=O)[nH]c(C[N@@H+](C)[C@H]3CCCc4ccccc43)nc12 ZINC000016695276 563821011 /nfs/dbraw/zinc/82/10/11/563821011.db2.gz IQWSYTFBCDVMAX-SFHVURJKSA-N 1 1 333.435 3.741 50 0 EHAAMO Cc1cccc2c(=O)[nH]c(C[N@H+](C)[C@H]3CCCc4ccccc43)nc12 ZINC000016695276 563821015 /nfs/dbraw/zinc/82/10/15/563821015.db2.gz IQWSYTFBCDVMAX-SFHVURJKSA-N 1 1 333.435 3.741 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000017071788 563835294 /nfs/dbraw/zinc/83/52/94/563835294.db2.gz XJKVICZHBNDWKZ-UHFFFAOYSA-N 1 1 343.858 3.998 50 0 EHAAMO O=C(Nc1cccc2cnccc21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043162311 563856526 /nfs/dbraw/zinc/85/65/26/563856526.db2.gz ZGKMBFAYUIHEHD-GOSISDBHSA-N 1 1 346.434 3.631 50 0 EHAAMO CCc1sc(-c2nnc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)o2)cc1C ZINC000072269741 563895851 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Oc1ccc(Cl)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1Cl ZINC000097572244 563981710 /nfs/dbraw/zinc/98/17/10/563981710.db2.gz HBPWKQPWRWLLJQ-LBPRGKRZSA-N 1 1 329.271 3.759 50 0 EHAAMO Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000252486392 563997770 /nfs/dbraw/zinc/99/77/70/563997770.db2.gz JPYXSAZOAMGUHZ-SQNIBIBYSA-N 1 1 330.472 3.592 50 0 EHAAMO CN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CCC1 ZINC000074527659 564000150 /nfs/dbraw/zinc/00/01/50/564000150.db2.gz AAFQHFAEVPRBBO-UHFFFAOYSA-N 1 1 341.455 3.606 50 0 EHAAMO CN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCC1 ZINC000074527659 564000151 /nfs/dbraw/zinc/00/01/51/564000151.db2.gz AAFQHFAEVPRBBO-UHFFFAOYSA-N 1 1 341.455 3.606 50 0 EHAAMO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000005484379 564004661 /nfs/dbraw/zinc/00/46/61/564004661.db2.gz BFWGUTGBGPODEZ-AWEZNQCLSA-N 1 1 330.359 3.506 50 0 EHAAMO COc1cc(C[NH2+]Cc2ccccc2Br)cc(OC)c1 ZINC000004997091 564013933 /nfs/dbraw/zinc/01/39/33/564013933.db2.gz GTJPIPJHOXRIFI-UHFFFAOYSA-N 1 1 336.229 3.756 50 0 EHAAMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000189166474 564014738 /nfs/dbraw/zinc/01/47/38/564014738.db2.gz WCAYDQBKFYSAGU-HRAATJIYSA-N 1 1 325.836 3.689 50 0 EHAAMO C=Cn1cc(C[NH2+]C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cn1 ZINC000225583839 564023666 /nfs/dbraw/zinc/02/36/66/564023666.db2.gz UWQAVSFPQGVSBH-UHFFFAOYSA-N 1 1 325.309 3.920 50 0 EHAAMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)o1 ZINC000106084608 564025916 /nfs/dbraw/zinc/02/59/16/564025916.db2.gz SUMVTASZIOKMDB-AYOQOUSVSA-N 1 1 338.451 3.856 50 0 EHAAMO CCS[C@@H]1CCCC[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000106798368 564026679 /nfs/dbraw/zinc/02/66/79/564026679.db2.gz SMEPPOHEPKYDOQ-ZIAGYGMSSA-N 1 1 331.485 3.592 50 0 EHAAMO CCS[C@@H]1CCCC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000106798368 564026680 /nfs/dbraw/zinc/02/66/80/564026680.db2.gz SMEPPOHEPKYDOQ-ZIAGYGMSSA-N 1 1 331.485 3.592 50 0 EHAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000107347171 564026898 /nfs/dbraw/zinc/02/68/98/564026898.db2.gz IOYRAHSBLQGCLG-UFYCRDLUSA-N 1 1 326.484 3.657 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccco1 ZINC000047648942 564028479 /nfs/dbraw/zinc/02/84/79/564028479.db2.gz SQCJNQDAPVYVOP-CYBMUJFWSA-N 1 1 327.211 3.619 50 0 EHAAMO c1sc(-c2ncccn2)nc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000051376464 564031783 /nfs/dbraw/zinc/03/17/83/564031783.db2.gz JWOZMPSAJBPBRH-KRWDZBQOSA-N 1 1 336.464 3.807 50 0 EHAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 ZINC000222338399 564036819 /nfs/dbraw/zinc/03/68/19/564036819.db2.gz PAFQUJPUTHJTDP-OAHLLOKOSA-N 1 1 339.361 3.782 50 0 EHAAMO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCc4ccccc4C3)c2C)no1 ZINC000038533427 564042386 /nfs/dbraw/zinc/04/23/86/564042386.db2.gz QUPFBBJBZCUWDU-UHFFFAOYSA-N 1 1 349.434 3.632 50 0 EHAAMO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCc4ccccc4C3)c2C)no1 ZINC000038533427 564042387 /nfs/dbraw/zinc/04/23/87/564042387.db2.gz QUPFBBJBZCUWDU-UHFFFAOYSA-N 1 1 349.434 3.632 50 0 EHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000241644255 564052055 /nfs/dbraw/zinc/05/20/55/564052055.db2.gz PPOCVNLBPKXWPS-ZOCIIQOWSA-N 1 1 329.465 3.639 50 0 EHAAMO Cc1c2ccccc2oc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000001054018 564054189 /nfs/dbraw/zinc/05/41/89/564054189.db2.gz QQNVRWYIDKIMFD-UHFFFAOYSA-N 1 1 348.446 3.742 50 0 EHAAMO Cc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000012597151 564060306 /nfs/dbraw/zinc/06/03/06/564060306.db2.gz QAVYAYVFNGBSRK-UHFFFAOYSA-N 1 1 333.435 3.972 50 0 EHAAMO C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129495639 564063202 /nfs/dbraw/zinc/06/32/02/564063202.db2.gz SKNHPCBTNSBFNJ-IUODEOHRSA-N 1 1 343.393 3.720 50 0 EHAAMO C(c1nc2sc3c(c2c(N2CCC2)n1)CCCC3)[NH+]1CCCCC1 ZINC000012820411 564074318 /nfs/dbraw/zinc/07/43/18/564074318.db2.gz UVXOGQCOHCYBOR-UHFFFAOYSA-N 1 1 342.512 3.766 50 0 EHAAMO Cc1ccccc1CSc1nnc([C@H]([NH3+])Cc2ccccc2)o1 ZINC000006234576 564083149 /nfs/dbraw/zinc/08/31/49/564083149.db2.gz RKVGGBSDCJWYNZ-MRXNPFEDSA-N 1 1 325.437 3.913 50 0 EHAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000123732463 564086748 /nfs/dbraw/zinc/08/67/48/564086748.db2.gz MJFWOZWGOIXWDB-RDJZCZTQSA-N 1 1 341.455 3.581 50 0 EHAAMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369190 564087534 /nfs/dbraw/zinc/08/75/34/564087534.db2.gz TZLXHHRPSYXZGO-OBJOEFQTSA-N 1 1 332.879 3.503 50 0 EHAAMO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369190 564087535 /nfs/dbraw/zinc/08/75/35/564087535.db2.gz TZLXHHRPSYXZGO-OBJOEFQTSA-N 1 1 332.879 3.503 50 0 EHAAMO CCOc1ccc(CCC2CC[NH+](Cc3nnc(C)o3)CC2)cc1 ZINC000053907387 564089179 /nfs/dbraw/zinc/08/91/79/564089179.db2.gz LVHZBPJCGXLNRR-UHFFFAOYSA-N 1 1 329.444 3.622 50 0 EHAAMO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000054106012 564089254 /nfs/dbraw/zinc/08/92/54/564089254.db2.gz SFHVWCHRUQPYDM-UHFFFAOYSA-N 1 1 348.446 3.732 50 0 EHAAMO Cc1[nH+]ccn1CCCNC(=O)N(Cc1ccsc1)CC(C)C ZINC000426369889 564093505 /nfs/dbraw/zinc/09/35/05/564093505.db2.gz GWBVTZRFECFLAB-UHFFFAOYSA-N 1 1 334.489 3.511 50 0 EHAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc2cc(F)ccc2o1 ZINC000426739132 564094503 /nfs/dbraw/zinc/09/45/03/564094503.db2.gz XLNCJAPCMMQPGJ-ZDUSSCGKSA-N 1 1 330.403 3.566 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)s1 ZINC000036101105 564096154 /nfs/dbraw/zinc/09/61/54/564096154.db2.gz ARLARXAARAEDCR-HNNXBMFYSA-N 1 1 337.485 3.828 50 0 EHAAMO COc1c(C)c[nH+]c(CN2CCCC[C@H]2c2nc(C3CC3)no2)c1C ZINC000065286172 564104397 /nfs/dbraw/zinc/10/43/97/564104397.db2.gz BTOQYBUMPRWGQJ-INIZCTEOSA-N 1 1 342.443 3.695 50 0 EHAAMO Cc1cccn2cc(C[NH2+][C@H](C)c3ccc4c(c3)OCCCO4)nc12 ZINC000090044830 564116191 /nfs/dbraw/zinc/11/61/91/564116191.db2.gz GUTJDCXBIRIBPI-OAHLLOKOSA-N 1 1 337.423 3.655 50 0 EHAAMO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246503832 564117807 /nfs/dbraw/zinc/11/78/07/564117807.db2.gz HWMFBHKUIPSIAH-JKSUJKDBSA-N 1 1 347.434 3.594 50 0 EHAAMO CC(C)(C)c1noc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246503832 564117808 /nfs/dbraw/zinc/11/78/08/564117808.db2.gz HWMFBHKUIPSIAH-JKSUJKDBSA-N 1 1 347.434 3.594 50 0 EHAAMO COc1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000252498724 564119702 /nfs/dbraw/zinc/11/97/02/564119702.db2.gz RJOIKSZTHMISLA-NSHDSACASA-N 1 1 346.814 3.530 50 0 EHAAMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc2[nH]ccc2c1 ZINC000252507858 564119969 /nfs/dbraw/zinc/11/99/69/564119969.db2.gz WVGYLTQRJHVOHN-UHFFFAOYSA-N 1 1 337.423 3.637 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc2[nH]ccc2c1 ZINC000252507858 564119970 /nfs/dbraw/zinc/11/99/70/564119970.db2.gz WVGYLTQRJHVOHN-UHFFFAOYSA-N 1 1 337.423 3.637 50 0 EHAAMO c1csc([C@@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 ZINC000195102961 564122808 /nfs/dbraw/zinc/12/28/08/564122808.db2.gz CQTGKKOIOLLYBR-GDBMZVCRSA-N 1 1 347.484 3.616 50 0 EHAAMO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541190 564123653 /nfs/dbraw/zinc/12/36/53/564123653.db2.gz BSDGIYBDHXKABB-YTQUADARSA-N 1 1 346.515 3.768 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000253418111 564130844 /nfs/dbraw/zinc/13/08/44/564130844.db2.gz DZRFDDVEXCKCPB-QGZVFWFLSA-N 1 1 343.515 3.845 50 0 EHAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000079354446 564138131 /nfs/dbraw/zinc/13/81/31/564138131.db2.gz KFEMBLHQNIDWAT-LBPRGKRZSA-N 1 1 345.270 3.823 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000095407647 564139608 /nfs/dbraw/zinc/13/96/08/564139608.db2.gz HKUYSUZEHVTNJD-MRXNPFEDSA-N 1 1 333.476 3.588 50 0 EHAAMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000095454742 564140625 /nfs/dbraw/zinc/14/06/25/564140625.db2.gz OVZGRYGLAPNRCB-MRXNPFEDSA-N 1 1 331.378 3.755 50 0 EHAAMO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000095462474 564140836 /nfs/dbraw/zinc/14/08/36/564140836.db2.gz DBPGXXBRHGBCJL-MRXNPFEDSA-N 1 1 347.459 3.686 50 0 EHAAMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000095462474 564140837 /nfs/dbraw/zinc/14/08/37/564140837.db2.gz DBPGXXBRHGBCJL-MRXNPFEDSA-N 1 1 347.459 3.686 50 0 EHAAMO Cc1ccc(N2CCC[N@H+](C[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000095466178 564141050 /nfs/dbraw/zinc/14/10/50/564141050.db2.gz BLDZPJHKJWLPGW-CTNGQTDRSA-N 1 1 330.516 3.958 50 0 EHAAMO OC[C@@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000280252091 564141772 /nfs/dbraw/zinc/14/17/72/564141772.db2.gz LDSNTXAYMMSINR-CQSZACIVSA-N 1 1 330.737 3.577 50 0 EHAAMO COC1CCC([N@@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000095963697 564142871 /nfs/dbraw/zinc/14/28/71/564142871.db2.gz RPYDHJKCYNXMFN-UHFFFAOYSA-N 1 1 330.241 3.978 50 0 EHAAMO COc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cc1O ZINC000096002758 564144406 /nfs/dbraw/zinc/14/44/06/564144406.db2.gz QEUDCQMEEUPQGJ-QGZVFWFLSA-N 1 1 341.455 3.880 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2scnc2C(C)(C)C)cn1 ZINC000096446251 564148218 /nfs/dbraw/zinc/14/82/18/564148218.db2.gz DXBDSMBENOZBSK-UHFFFAOYSA-N 1 1 341.440 3.582 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1Cl ZINC000030989494 564158313 /nfs/dbraw/zinc/15/83/13/564158313.db2.gz QYFRNBYZHNHKGK-QGZVFWFLSA-N 1 1 349.837 3.581 50 0 EHAAMO Cc1nc2scc(-c3cccs3)c2c(N2CCC[N@H+](C)CC2)n1 ZINC000003503774 564158552 /nfs/dbraw/zinc/15/85/52/564158552.db2.gz RXTPNUABRQHSEZ-UHFFFAOYSA-N 1 1 344.509 3.870 50 0 EHAAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000040057156 564167865 /nfs/dbraw/zinc/16/78/65/564167865.db2.gz OVPSOCDGWPJJTD-OAQYLSRUSA-N 1 1 334.463 3.717 50 0 EHAAMO C[N@H+](Cn1nc(C(C)(C)C)[nH]c1=S)C1C2CC3CC(C2)CC1C3 ZINC000040091186 564167975 /nfs/dbraw/zinc/16/79/75/564167975.db2.gz CPQRSNCWOBJLBX-UHFFFAOYSA-N 1 1 334.533 3.952 50 0 EHAAMO C[N@@H+](Cn1nc(C(C)(C)C)[nH]c1=S)C1C2CC3CC(C2)CC1C3 ZINC000040091186 564167976 /nfs/dbraw/zinc/16/79/76/564167976.db2.gz CPQRSNCWOBJLBX-UHFFFAOYSA-N 1 1 334.533 3.952 50 0 EHAAMO Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000069418290 564169332 /nfs/dbraw/zinc/16/93/32/564169332.db2.gz AQAGGHWQJIDOAH-UHFFFAOYSA-N 1 1 325.843 3.826 50 0 EHAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040497564 564169991 /nfs/dbraw/zinc/16/99/91/564169991.db2.gz KROGSIVFNARDNJ-CYBMUJFWSA-N 1 1 327.815 3.541 50 0 EHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000010340062 564175297 /nfs/dbraw/zinc/17/52/97/564175297.db2.gz OQLLYWLIHPTKFE-DNVCBOLYSA-N 1 1 326.415 3.840 50 0 EHAAMO Cc1cccc(C[N@@H+]2CCCCCCN(C)C(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000257177639 1038338878 /nfs/dbraw/zinc/33/88/78/1038338878.db2.gz FFGFBSCWTTUQRV-UXHICEINSA-N 1 1 328.500 3.998 50 0 EHAAMO c1ccc(-c2nc(CC[C@@H]3CCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000675020489 1039891494 /nfs/dbraw/zinc/89/14/94/1039891494.db2.gz RAVOREBSTJKCOD-SFHVURJKSA-N 1 1 334.423 3.729 50 0 EHAAMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)c1 ZINC000211260183 1041843710 /nfs/dbraw/zinc/84/37/10/1041843710.db2.gz ZVQVVNFIOLFELW-RDPSFJRHSA-N 1 1 342.508 3.827 50 0 EHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000011937757 1129193070 /nfs/dbraw/zinc/19/30/70/1129193070.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 1 1 337.511 3.777 50 0 EHAAMO COc1cccc([C@@H]2CC[N@H+]2CC2=Cc3cccc(OC)c3OC2)c1 ZINC000824774858 1131217660 /nfs/dbraw/zinc/21/76/60/1131217660.db2.gz GOTLCOPXAYSSHG-IBGZPJMESA-N 1 1 337.419 3.927 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@@H+](CCO)C3CCCCC3)cn2)c1 ZINC000828757337 1131444655 /nfs/dbraw/zinc/44/46/55/1131444655.db2.gz XLXBCZPBQGLDPW-UHFFFAOYSA-N 1 1 325.456 3.579 50 0 EHAAMO CCNC(=O)N1CCC([N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802389 1132362988 /nfs/dbraw/zinc/36/29/88/1132362988.db2.gz JQAMWFOHSMFRLU-IBGZPJMESA-N 1 1 341.499 3.798 50 0 EHAAMO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581807145 1132369352 /nfs/dbraw/zinc/36/93/52/1132369352.db2.gz DHJISZPZVSCHBR-LJQANCHMSA-N 1 1 325.456 3.533 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)c2cccnc2C)n1C1CCCCCC1 ZINC000581815268 1132372673 /nfs/dbraw/zinc/37/26/73/1132372673.db2.gz AKHHSYNSNKZBIJ-UHFFFAOYSA-N 1 1 340.471 3.763 50 0 EHAAMO c1cc(CNC[C@H]2CCC[N@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960080 1137483603 /nfs/dbraw/zinc/48/36/03/1137483603.db2.gz BANAVHMDNDIBNB-GOSISDBHSA-N 1 1 338.499 3.617 50 0 EHAAMO Cc1cccc(NC(=O)CC[NH2+]Cc2c(Cl)cncc2Cl)c1 ZINC000952986692 1137485515 /nfs/dbraw/zinc/48/55/15/1137485515.db2.gz JTFHPZOZIUHSOA-UHFFFAOYSA-N 1 1 338.238 3.815 50 0 EHAAMO CC(C)CN(Cc1ccco1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000952988616 1137485896 /nfs/dbraw/zinc/48/58/96/1137485896.db2.gz SOMQSAZVHCBENW-GOSISDBHSA-N 1 1 332.419 3.706 50 0 EHAAMO CCn1c(C[NH2+][C@H](C)c2ccc(OC)cc2OC)nc2ccccc21 ZINC000054041342 214212081 /nfs/dbraw/zinc/21/20/81/214212081.db2.gz RSXKNZPJJKIUMT-CQSZACIVSA-N 1 1 339.439 3.924 50 0 EHAAMO CCOc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1O ZINC000055543141 214328254 /nfs/dbraw/zinc/32/82/54/214328254.db2.gz OHFCRDOQUMKELF-UHFFFAOYSA-N 1 1 340.467 3.730 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320383 201744864 /nfs/dbraw/zinc/74/48/64/201744864.db2.gz IEOJPZHMQWSJGH-OAHLLOKOSA-N 1 1 330.453 3.841 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320383 201744866 /nfs/dbraw/zinc/74/48/66/201744866.db2.gz IEOJPZHMQWSJGH-OAHLLOKOSA-N 1 1 330.453 3.841 50 0 EHAAMO Cc1nc(C(F)(F)F)ccc1-c1n[nH]c2c1C[N@@H+](CC1CC1)CC2 ZINC000020586874 202049935 /nfs/dbraw/zinc/04/99/35/202049935.db2.gz XWOHVPIPAKBVIQ-UHFFFAOYSA-N 1 1 336.361 3.567 50 0 EHAAMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000022910935 202094823 /nfs/dbraw/zinc/09/48/23/202094823.db2.gz FVHJECICISEBJL-UWVGGRQHSA-N 1 1 342.226 3.968 50 0 EHAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c[nH]1 ZINC000023619559 202106007 /nfs/dbraw/zinc/10/60/07/202106007.db2.gz 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CC[N@H+]1CCC[C@@](C(=O)NCc2cccs2)(c2ccccc2)CC1 ZINC000065226085 563764216 /nfs/dbraw/zinc/76/42/16/563764216.db2.gz WFLKWGOECQDCOQ-FQEVSTJZSA-N 1 1 342.508 3.808 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc2c1OCO2 ZINC000015066077 563775083 /nfs/dbraw/zinc/77/50/83/563775083.db2.gz PNSJLVVZLLBBET-KRWDZBQOSA-N 1 1 340.423 3.500 50 0 EHAAMO CCCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015924892 563800136 /nfs/dbraw/zinc/80/01/36/563800136.db2.gz IRDNJMVWXBSPJN-UHFFFAOYSA-N 1 1 337.467 3.513 50 0 EHAAMO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000268718103 563829464 /nfs/dbraw/zinc/82/94/64/563829464.db2.gz VCOYGYIEKCMJMI-RTWAWAEBSA-N 1 1 348.446 3.559 50 0 EHAAMO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000268718103 563829468 /nfs/dbraw/zinc/82/94/68/563829468.db2.gz VCOYGYIEKCMJMI-RTWAWAEBSA-N 1 1 348.446 3.559 50 0 EHAAMO COCC[N@@H+](Cc1cccs1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000055253897 563934138 /nfs/dbraw/zinc/93/41/38/563934138.db2.gz 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CCOCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067688460 563962484 /nfs/dbraw/zinc/96/24/84/563962484.db2.gz QNAMRORMSBEWIS-UHFFFAOYSA-N 1 1 347.842 3.944 50 0 EHAAMO CCOCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067688460 563962485 /nfs/dbraw/zinc/96/24/85/563962485.db2.gz QNAMRORMSBEWIS-UHFFFAOYSA-N 1 1 347.842 3.944 50 0 EHAAMO CCCO[C@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067722926 563962555 /nfs/dbraw/zinc/96/25/55/563962555.db2.gz YEVXJZMEMCRYOG-INIZCTEOSA-N 1 1 334.847 3.573 50 0 EHAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000067834460 563962885 /nfs/dbraw/zinc/96/28/85/563962885.db2.gz PZXUYAPFUGTBIQ-GHTZIAJQSA-N 1 1 338.426 3.966 50 0 EHAAMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067884012 563962987 /nfs/dbraw/zinc/96/29/87/563962987.db2.gz XKHRRGBYMUKKGW-INIZCTEOSA-N 1 1 343.434 3.984 50 0 EHAAMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067884012 563962988 /nfs/dbraw/zinc/96/29/88/563962988.db2.gz XKHRRGBYMUKKGW-INIZCTEOSA-N 1 1 343.434 3.984 50 0 EHAAMO C[C@@H](O)C[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067975170 563963179 /nfs/dbraw/zinc/96/31/79/563963179.db2.gz BGXSBGCOUIWDDF-MRXNPFEDSA-N 1 1 348.446 3.594 50 0 EHAAMO C[C@@H](O)C[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067975170 563963180 /nfs/dbraw/zinc/96/31/80/563963180.db2.gz BGXSBGCOUIWDDF-MRXNPFEDSA-N 1 1 348.446 3.594 50 0 EHAAMO O=C(c1cc[nH]c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000068227275 563963204 /nfs/dbraw/zinc/96/32/04/563963204.db2.gz JFSZIANFGOKTAR-UHFFFAOYSA-N 1 1 345.446 3.562 50 0 EHAAMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CCC(OC)CC1 ZINC000097108497 563967974 /nfs/dbraw/zinc/96/79/74/563967974.db2.gz DRVNXUFNPYRRCQ-UHFFFAOYSA-N 1 1 348.487 3.680 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCc2ccccc2C1 ZINC000004746299 563973084 /nfs/dbraw/zinc/97/30/84/563973084.db2.gz GOXAGARIXTUIPU-SFHVURJKSA-N 1 1 340.492 3.545 50 0 EHAAMO CCn1cc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cn1 ZINC000585140036 563973375 /nfs/dbraw/zinc/97/33/75/563973375.db2.gz UQKWTLXVKHPSHE-VIFPVBQESA-N 1 1 332.757 3.821 50 0 EHAAMO COc1ccc(OC)c2c(=O)c(C[N@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008717349 563974626 /nfs/dbraw/zinc/97/46/26/563974626.db2.gz OKANURXPTRDENB-LBPRGKRZSA-N 1 1 330.428 3.640 50 0 EHAAMO COc1ccnc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1OC ZINC000091306140 563975275 /nfs/dbraw/zinc/97/52/75/563975275.db2.gz XSBOFKPVHSIQGW-HXUWFJFHSA-N 1 1 326.440 3.653 50 0 EHAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)cc1 ZINC000091350779 563975303 /nfs/dbraw/zinc/97/53/03/563975303.db2.gz UYOAJIVQMBKNCJ-LJQANCHMSA-N 1 1 348.446 3.899 50 0 EHAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1csc(C(C)=O)c1)C2 ZINC000091486932 563975400 /nfs/dbraw/zinc/97/54/00/563975400.db2.gz LHVACHJFYIIAOE-FUHWJXTLSA-N 1 1 332.513 3.813 50 0 EHAAMO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091493735 563975456 /nfs/dbraw/zinc/97/54/56/563975456.db2.gz YPHUZYZPSLCZMP-XMSQKQJNSA-N 1 1 348.490 3.986 50 0 EHAAMO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccncc3)C4)ccc2[nH]1 ZINC000091526777 563975502 /nfs/dbraw/zinc/97/55/02/563975502.db2.gz WBXQNZZHAPGYFA-PZJWPPBQSA-N 1 1 346.478 3.659 50 0 EHAAMO Cc1ccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000016247696 563976190 /nfs/dbraw/zinc/97/61/90/563976190.db2.gz KPEJMMOWDXLDCV-HDICACEKSA-N 1 1 349.515 3.797 50 0 EHAAMO Cc1ccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000016247696 563976191 /nfs/dbraw/zinc/97/61/91/563976191.db2.gz KPEJMMOWDXLDCV-HDICACEKSA-N 1 1 349.515 3.797 50 0 EHAAMO CN(c1ccccc1)c1ccccc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061604345 563976359 /nfs/dbraw/zinc/97/63/59/563976359.db2.gz FGLHVENMXHCRLV-UHFFFAOYSA-N 1 1 349.478 3.765 50 0 EHAAMO Cc1cccc2cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)n(C)c21 ZINC000095354450 563976677 /nfs/dbraw/zinc/97/66/77/563976677.db2.gz ULQYJBUNORZBHB-FQEVSTJZSA-N 1 1 347.462 3.616 50 0 EHAAMO Cc1cccc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)n(C)c21 ZINC000095354450 563976678 /nfs/dbraw/zinc/97/66/78/563976678.db2.gz ULQYJBUNORZBHB-FQEVSTJZSA-N 1 1 347.462 3.616 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095364285 563976825 /nfs/dbraw/zinc/97/68/25/563976825.db2.gz DGEOPWOCBPTQMV-YTFSRNRJSA-N 1 1 348.490 3.763 50 0 EHAAMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)[C@H](C)n1cccn1 ZINC000252475397 563997666 /nfs/dbraw/zinc/99/76/66/563997666.db2.gz ZRYLIHCXGKRKBK-AGIUHOORSA-N 1 1 345.834 3.887 50 0 EHAAMO C[C@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@H+]1C ZINC000182863392 564001271 /nfs/dbraw/zinc/00/12/71/564001271.db2.gz WOAVPRXAFSJWMU-LPHOPBHVSA-N 1 1 344.503 3.989 50 0 EHAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000106573585 564026483 /nfs/dbraw/zinc/02/64/83/564026483.db2.gz CHNZCKPBXMHSCD-STQMWFEESA-N 1 1 328.909 3.571 50 0 EHAAMO Cc1sc2ncnc(N[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)c2c1C ZINC000108173537 564027987 /nfs/dbraw/zinc/02/79/87/564027987.db2.gz LKXVICHOVBNYEP-JKSUJKDBSA-N 1 1 338.480 3.818 50 0 EHAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000058581609 564031909 /nfs/dbraw/zinc/03/19/09/564031909.db2.gz REZYYXDTEFBQPW-HKUYNNGSSA-N 1 1 345.464 3.528 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1ccccc1 ZINC000005969549 564057354 /nfs/dbraw/zinc/05/73/54/564057354.db2.gz ZFZIIGPUWLXOFS-HKUYNNGSSA-N 1 1 337.492 4.000 50 0 biogenic EHAAMO CCN1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533002 564058361 /nfs/dbraw/zinc/05/83/61/564058361.db2.gz UORSWOOIOXYVEX-UHFFFAOYSA-N 1 1 334.467 3.599 50 0 EHAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000003352661 564059407 /nfs/dbraw/zinc/05/94/07/564059407.db2.gz HMAXISBQBXFVSZ-UHFFFAOYSA-N 1 1 326.440 3.889 50 0 EHAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000003352661 564059408 /nfs/dbraw/zinc/05/94/08/564059408.db2.gz HMAXISBQBXFVSZ-UHFFFAOYSA-N 1 1 326.440 3.889 50 0 EHAAMO Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)no1 ZINC000299774420 564060824 /nfs/dbraw/zinc/06/08/24/564060824.db2.gz HPPGNIZBYJGSLL-UAGQMJEPSA-N 1 1 336.395 3.726 50 0 EHAAMO CC(C)[N@@H+](C)CC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000063586677 564073350 /nfs/dbraw/zinc/07/33/50/564073350.db2.gz CXTVCZMBBONGKN-OAHLLOKOSA-N 1 1 343.496 3.694 50 0 EHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)c(C)sc2-n2cccc2)C1 ZINC000063852755 564082098 /nfs/dbraw/zinc/08/20/98/564082098.db2.gz IURFOBUBAYGMQM-INIZCTEOSA-N 1 1 345.512 3.617 50 0 EHAAMO CCOc1ccc(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000241515742 564088358 /nfs/dbraw/zinc/08/83/58/564088358.db2.gz OHQMANMYSVAPKK-CABCVRRESA-N 1 1 335.517 3.635 50 0 EHAAMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000092138807 564088844 /nfs/dbraw/zinc/08/88/44/564088844.db2.gz HHGVACGMAFAVDY-HUUCEWRRSA-N 1 1 348.487 3.678 50 0 EHAAMO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N3CCCCCC3)CC2)c1 ZINC000089420136 564090488 /nfs/dbraw/zinc/09/04/88/564090488.db2.gz MRNUGZGIIZYJFT-QGZVFWFLSA-N 1 1 342.483 3.575 50 0 EHAAMO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N3CCCCCC3)CC2)c1 ZINC000089420136 564090489 /nfs/dbraw/zinc/09/04/89/564090489.db2.gz MRNUGZGIIZYJFT-QGZVFWFLSA-N 1 1 342.483 3.575 50 0 EHAAMO CCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487738 564106357 /nfs/dbraw/zinc/10/63/57/564106357.db2.gz RKZNJJYQGWZSTJ-CABCVRRESA-N 1 1 339.443 3.770 50 0 EHAAMO CCCc1noc([C@@H](C)[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487738 564106358 /nfs/dbraw/zinc/10/63/58/564106358.db2.gz RKZNJJYQGWZSTJ-CABCVRRESA-N 1 1 339.443 3.770 50 0 EHAAMO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000065512465 564106737 /nfs/dbraw/zinc/10/67/37/564106737.db2.gz FBJWSPKAJSKXAO-GFCCVEGCSA-N 1 1 336.430 3.739 50 0 EHAAMO Oc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000065547454 564107311 /nfs/dbraw/zinc/10/73/11/564107311.db2.gz XTPCQQVSAHPYDH-UHFFFAOYSA-N 1 1 333.391 3.732 50 0 EHAAMO Oc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000065547454 564107312 /nfs/dbraw/zinc/10/73/12/564107312.db2.gz XTPCQQVSAHPYDH-UHFFFAOYSA-N 1 1 333.391 3.732 50 0 EHAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000065547736 564107351 /nfs/dbraw/zinc/10/73/51/564107351.db2.gz NYLZRRZGTQSYED-QGZVFWFLSA-N 1 1 344.503 3.529 50 0 EHAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000170598157 564109164 /nfs/dbraw/zinc/10/91/64/564109164.db2.gz ICYMZLBZVILRFJ-CYBMUJFWSA-N 1 1 329.271 3.513 50 0 EHAAMO Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000013320335 564111439 /nfs/dbraw/zinc/11/14/39/564111439.db2.gz ZNVNVDMBGSHDGZ-UHFFFAOYSA-N 1 1 341.430 3.526 50 0 EHAAMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cn3c(n1)nc(C)cc3C)CCC2 ZINC000089598899 564112632 /nfs/dbraw/zinc/11/26/32/564112632.db2.gz FPTRKSPZDQJZCA-MRXNPFEDSA-N 1 1 341.484 3.620 50 0 EHAAMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn3c(n1)nc(C)cc3C)CCC2 ZINC000089598899 564112633 /nfs/dbraw/zinc/11/26/33/564112633.db2.gz FPTRKSPZDQJZCA-MRXNPFEDSA-N 1 1 341.484 3.620 50 0 EHAAMO c1ccc2nc(C[N@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000089873151 564114569 /nfs/dbraw/zinc/11/45/69/564114569.db2.gz PZGHKTPNBINQBZ-MRXNPFEDSA-N 1 1 334.423 3.875 50 0 EHAAMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCCS(C)(=O)=O ZINC000089904988 564115073 /nfs/dbraw/zinc/11/50/73/564115073.db2.gz ZYPBJMYNQVKWMA-NSHDSACASA-N 1 1 338.300 3.811 50 0 EHAAMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCCS(C)(=O)=O ZINC000089904988 564115074 /nfs/dbraw/zinc/11/50/74/564115074.db2.gz ZYPBJMYNQVKWMA-NSHDSACASA-N 1 1 338.300 3.811 50 0 EHAAMO CCOc1cccc(OCCOCC[N@@H+](C)Cc2ccccc2)c1 ZINC000002822194 564116910 /nfs/dbraw/zinc/11/69/10/564116910.db2.gz VUNWSWSFLRILSH-UHFFFAOYSA-N 1 1 329.440 3.613 50 0 EHAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500755 564119827 /nfs/dbraw/zinc/11/98/27/564119827.db2.gz TVALGJWBVOLPHO-BHIYHBOVSA-N 1 1 346.540 3.755 50 0 EHAAMO Cc1cc([C@@H](C)[NH2+]Cc2nncn2C(C)C)ccc1Br ZINC000195553770 564123729 /nfs/dbraw/zinc/12/37/29/564123729.db2.gz KXGUHUBONQPBOY-GFCCVEGCSA-N 1 1 337.265 3.781 50 0 EHAAMO CC(C)C[C@@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002350289 564132647 /nfs/dbraw/zinc/13/26/47/564132647.db2.gz RSRMYAOMXJWHJD-GFCCVEGCSA-N 1 1 339.848 3.744 50 0 EHAAMO COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC000078937336 564137424 /nfs/dbraw/zinc/13/74/24/564137424.db2.gz XQEIFTSQUMSYEW-CQSZACIVSA-N 1 1 344.459 3.565 50 0 EHAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000278354017 564138332 /nfs/dbraw/zinc/13/83/32/564138332.db2.gz NLYWAYQXNMVELE-UHFFFAOYSA-N 1 1 330.815 3.727 50 0 EHAAMO C[C@H](NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cnccn1 ZINC000095419243 564139789 /nfs/dbraw/zinc/13/97/89/564139789.db2.gz FUFZRUMWBGZAGW-DOTOQJQBSA-N 1 1 330.501 3.662 50 0 EHAAMO C[N@@H+]1CC[C@@H](CNCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447476 564140567 /nfs/dbraw/zinc/14/05/67/564140567.db2.gz GCNBJVGWDQVHRK-LRDDRELGSA-N 1 1 339.867 3.718 50 0 EHAAMO C[N@H+]1CC[C@@H](CNCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447476 564140568 /nfs/dbraw/zinc/14/05/68/564140568.db2.gz GCNBJVGWDQVHRK-LRDDRELGSA-N 1 1 339.867 3.718 50 0 EHAAMO Cc1ccc(O)c(C[N@@H+](C)[C@@H](c2ccc(F)cc2)c2cccnc2)n1 ZINC000095982892 564143760 /nfs/dbraw/zinc/14/37/60/564143760.db2.gz WSMGQQIGPIMWQJ-FQEVSTJZSA-N 1 1 337.398 3.851 50 0 EHAAMO Cc1ccc(O)c(C[N@H+](C)[C@@H](c2ccc(F)cc2)c2cccnc2)n1 ZINC000095982892 564143761 /nfs/dbraw/zinc/14/37/61/564143761.db2.gz WSMGQQIGPIMWQJ-FQEVSTJZSA-N 1 1 337.398 3.851 50 0 EHAAMO COc1ccc([C@@H]2[C@@H](CN[C@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983384 564143796 /nfs/dbraw/zinc/14/37/96/564143796.db2.gz UEJVSQZGWMLIJN-AKCHCHLHSA-N 1 1 343.446 3.573 50 0 EHAAMO COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)c3ccc(F)cn3)CCN2C)cc1 ZINC000095983384 564143797 /nfs/dbraw/zinc/14/37/97/564143797.db2.gz UEJVSQZGWMLIJN-AKCHCHLHSA-N 1 1 343.446 3.573 50 0 EHAAMO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(N2CCOC2=O)c1 ZINC000095984671 564143884 /nfs/dbraw/zinc/14/38/84/564143884.db2.gz WNDKZGFQHLUTRD-CYBMUJFWSA-N 1 1 337.379 3.635 50 0 EHAAMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000095994187 564144206 /nfs/dbraw/zinc/14/42/06/564144206.db2.gz NIYQPSYMIDTERT-UHFFFAOYSA-N 1 1 332.879 3.662 50 0 EHAAMO c1cc(-c2cccnc2)oc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000097159836 564149449 /nfs/dbraw/zinc/14/94/49/564149449.db2.gz SPEFQFNVTHIKCU-UHFFFAOYSA-N 1 1 344.418 3.876 50 0 EHAAMO Cc1cccc(NC(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225687864 564150254 /nfs/dbraw/zinc/15/02/54/564150254.db2.gz JNMGSSXGBDGNTM-FQEVSTJZSA-N 1 1 335.451 3.660 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)no1 ZINC000057293366 564153481 /nfs/dbraw/zinc/15/34/81/564153481.db2.gz NPJJYBDRKFPLMO-UHFFFAOYSA-N 1 1 335.407 3.643 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)no1 ZINC000057293366 564153482 /nfs/dbraw/zinc/15/34/82/564153482.db2.gz NPJJYBDRKFPLMO-UHFFFAOYSA-N 1 1 335.407 3.643 50 0 EHAAMO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1Cl ZINC000057650877 564155363 /nfs/dbraw/zinc/15/53/63/564155363.db2.gz ABKVWZRZHYCBRT-NSHDSACASA-N 1 1 335.835 3.915 50 0 EHAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccccc1 ZINC000057681199 564155457 /nfs/dbraw/zinc/15/54/57/564155457.db2.gz FBQYXHUYYWRHIJ-UHFFFAOYSA-N 1 1 334.419 3.962 50 0 EHAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccccc1 ZINC000057681199 564155458 /nfs/dbraw/zinc/15/54/58/564155458.db2.gz FBQYXHUYYWRHIJ-UHFFFAOYSA-N 1 1 334.419 3.962 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000003420174 564158026 /nfs/dbraw/zinc/15/80/26/564158026.db2.gz GJZBUNDRCJEECE-OAHLLOKOSA-N 1 1 328.481 3.545 50 0 EHAAMO C[C@@H]1CCC[C@@H](C)[NH+]1CCCn1c(=O)c2ccccc2[nH]c1=S ZINC000003911466 564159705 /nfs/dbraw/zinc/15/97/05/564159705.db2.gz RFFSYBXNBGMVEV-ZIAGYGMSSA-N 1 1 331.485 3.712 50 0 EHAAMO CC[C@H](Oc1ccccc1)C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029215 564160134 /nfs/dbraw/zinc/16/01/34/564160134.db2.gz RPUOHKOFHWSPMJ-UHOSZYNNSA-N 1 1 331.456 3.652 50 0 biogenic EHAAMO Fc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000040086068 564167921 /nfs/dbraw/zinc/16/79/21/564167921.db2.gz QMGKRWAOJVDDIY-FQEVSTJZSA-N 1 1 337.398 3.585 50 0 EHAAMO Fc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000040086068 564167922 /nfs/dbraw/zinc/16/79/22/564167922.db2.gz QMGKRWAOJVDDIY-FQEVSTJZSA-N 1 1 337.398 3.585 50 0 EHAAMO c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)c2)nc1 ZINC000110701906 568417744 /nfs/dbraw/zinc/41/77/44/568417744.db2.gz AGLVPLDYYMJADS-RXVVDRJESA-N 1 1 338.451 3.662 50 0 EHAAMO CCCOc1ccc(C[N@H+]2CC[C@H](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000169781522 1032646280 /nfs/dbraw/zinc/64/62/80/1032646280.db2.gz PTLHIXQHGMBLNQ-FQEVSTJZSA-N 1 1 344.499 3.556 50 0 EHAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289385844 1018375557 /nfs/dbraw/zinc/37/55/57/1018375557.db2.gz QLKPGMKLQBJIKP-GOEBONIOSA-N 1 1 334.423 3.671 50 0 EHAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289385844 1018375564 /nfs/dbraw/zinc/37/55/64/1018375564.db2.gz QLKPGMKLQBJIKP-GOEBONIOSA-N 1 1 334.423 3.671 50 0 EHAAMO CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289957400 1020778519 /nfs/dbraw/zinc/77/85/19/1020778519.db2.gz WIEOEMLYMOPVCA-MRXNPFEDSA-N 1 1 347.434 3.579 50 0 EHAAMO COc1ccccc1-c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1 ZINC000158040431 1033359500 /nfs/dbraw/zinc/35/95/00/1033359500.db2.gz XHEMWRXISZCPJC-CQSZACIVSA-N 1 1 332.469 3.677 50 0 EHAAMO CCOc1ccc(OCC[N@H+]2CCC[C@@H](n3ccnc3CC)C2)cc1 ZINC000171523187 1034438833 /nfs/dbraw/zinc/43/88/33/1034438833.db2.gz FMXQXDAQLTUKPI-QGZVFWFLSA-N 1 1 343.471 3.560 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)n1 ZINC000186497537 1036819014 /nfs/dbraw/zinc/81/90/14/1036819014.db2.gz NAXJTMJSQPOGCM-UHFFFAOYSA-N 1 1 349.478 3.755 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007853470 1123934030 /nfs/dbraw/zinc/93/40/30/1123934030.db2.gz BQXGQJGIUVFJAK-QGZVFWFLSA-N 1 1 331.847 3.763 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007853470 1123934034 /nfs/dbraw/zinc/93/40/34/1123934034.db2.gz BQXGQJGIUVFJAK-QGZVFWFLSA-N 1 1 331.847 3.763 50 0 EHAAMO CC(C)C[N@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012281037 1129472117 /nfs/dbraw/zinc/47/21/17/1129472117.db2.gz BLVKSVLIYHMKOL-HXUWFJFHSA-N 1 1 325.452 3.813 50 0 EHAAMO CC[C@H](C)Cc1nc(-c2ccn(C(F)F)n2)n(-c2cc[nH+]cc2)n1 ZINC000822619960 1131004883 /nfs/dbraw/zinc/00/48/83/1131004883.db2.gz BPODNPOJQDLPRU-NSHDSACASA-N 1 1 332.358 3.510 50 0 EHAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000823777502 1131081257 /nfs/dbraw/zinc/08/12/57/1131081257.db2.gz COAPUZULAHDDSG-SFHVURJKSA-N 1 1 343.471 3.547 50 0 EHAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000823777502 1131081263 /nfs/dbraw/zinc/08/12/63/1131081263.db2.gz COAPUZULAHDDSG-SFHVURJKSA-N 1 1 343.471 3.547 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1CC1CC1 ZINC000581815484 1132372437 /nfs/dbraw/zinc/37/24/37/1132372437.db2.gz DIIPCNHLVVNIOV-IBGZPJMESA-N 1 1 343.515 3.963 50 0 EHAAMO CC(=O)Nc1ccc2nc(C[N@@H+](C)[C@@H](C)c3ccccn3)ccc2c1 ZINC000065470311 1136160503 /nfs/dbraw/zinc/16/05/03/1136160503.db2.gz AIFNUFUXOQNLHI-AWEZNQCLSA-N 1 1 334.423 3.781 50 0 EHAAMO CC(=O)Nc1ccc2nc(C[N@H+](C)[C@@H](C)c3ccccn3)ccc2c1 ZINC000065470311 1136160506 /nfs/dbraw/zinc/16/05/06/1136160506.db2.gz AIFNUFUXOQNLHI-AWEZNQCLSA-N 1 1 334.423 3.781 50 0 EHAAMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc2nc(C)sc2c1 ZINC000585083109 1136968375 /nfs/dbraw/zinc/96/83/75/1136968375.db2.gz AWTVHUBIWBIUOL-HNNXBMFYSA-N 1 1 331.485 3.551 50 0 EHAAMO OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000585133428 1137021733 /nfs/dbraw/zinc/02/17/33/1137021733.db2.gz HWAFOOYFMKWCCV-XIRDDKMYSA-N 1 1 343.389 3.630 50 0 EHAAMO CC(C)c1cccc(-c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)o2)c1 ZINC000192501731 1137455927 /nfs/dbraw/zinc/45/59/27/1137455927.db2.gz RQBPLAXULNZSII-HDICACEKSA-N 1 1 338.451 3.704 50 0 EHAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000952976650 1137484570 /nfs/dbraw/zinc/48/45/70/1137484570.db2.gz XMJSFAHALFOOHO-UHFFFAOYSA-N 1 1 344.478 3.699 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000952977444 1137484810 /nfs/dbraw/zinc/48/48/10/1137484810.db2.gz XSYMAGZWGXRTAR-UHFFFAOYSA-N 1 1 328.378 3.652 50 0 EHAAMO FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](C[C@]34CCC[C@H]3OCC4)C2)n1 ZINC000952992861 1137485135 /nfs/dbraw/zinc/48/51/35/1137485135.db2.gz DWBYBMIRYDMRRV-XNRPHZJLSA-N 1 1 343.393 3.567 50 0 EHAAMO FC(F)(F)c1cnc([C@@H]2CCC[N@H+](C[C@]34CCC[C@H]3OCC4)C2)[nH]1 ZINC000952992861 1137485137 /nfs/dbraw/zinc/48/51/37/1137485137.db2.gz DWBYBMIRYDMRRV-XNRPHZJLSA-N 1 1 343.393 3.567 50 0 EHAAMO FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](C[C@]34CCC[C@H]3OCC4)C2)[nH]1 ZINC000952992861 1137485138 /nfs/dbraw/zinc/48/51/38/1137485138.db2.gz DWBYBMIRYDMRRV-XNRPHZJLSA-N 1 1 343.393 3.567 50 0 EHAAMO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000107299282 1139717223 /nfs/dbraw/zinc/71/72/23/1139717223.db2.gz ALLJBJJUZFWECF-CYBMUJFWSA-N 1 1 339.361 3.687 50 0 EHAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000019594832 202015774 /nfs/dbraw/zinc/01/57/74/202015774.db2.gz YWTCZYLLEHCAQG-QGZVFWFLSA-N 1 1 327.472 3.996 50 0 EHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000019792446 202021551 /nfs/dbraw/zinc/02/15/51/202021551.db2.gz DKCSDHNRKBEQHY-ZDUSSCGKSA-N 1 1 348.443 3.694 50 0 EHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000019792446 202021554 /nfs/dbraw/zinc/02/15/54/202021554.db2.gz DKCSDHNRKBEQHY-ZDUSSCGKSA-N 1 1 348.443 3.694 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000020418545 202041377 /nfs/dbraw/zinc/04/13/77/202041377.db2.gz MFTVTVPZOQOIHI-UHFFFAOYSA-N 1 1 345.393 3.623 50 0 EHAAMO Fc1ccccc1OCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500131 202046355 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WQACHWKSUMPYMH-GOSISDBHSA-N 1 1 346.833 3.874 50 0 EHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000011842872 563651321 /nfs/dbraw/zinc/65/13/21/563651321.db2.gz WQACHWKSUMPYMH-GOSISDBHSA-N 1 1 346.833 3.874 50 0 EHAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000012005586 563652742 /nfs/dbraw/zinc/65/27/42/563652742.db2.gz PBQOMWDSAYDUSJ-KRWDZBQOSA-N 1 1 327.399 3.929 50 0 EHAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012197809 563655753 /nfs/dbraw/zinc/65/57/53/563655753.db2.gz ADPRHUUZWKLORV-HNNXBMFYSA-N 1 1 341.407 3.666 50 0 EHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000012304938 563657779 /nfs/dbraw/zinc/65/77/79/563657779.db2.gz RXZZHRMEBJNAFZ-HNNXBMFYSA-N 1 1 342.414 3.633 50 0 EHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000012304938 563657786 /nfs/dbraw/zinc/65/77/86/563657786.db2.gz RXZZHRMEBJNAFZ-HNNXBMFYSA-N 1 1 342.414 3.633 50 0 EHAAMO OC[C@@]1(CCOc2ccccc2)CCC[N@@H+](CCCC(F)(F)F)C1 ZINC000012315968 563658017 /nfs/dbraw/zinc/65/80/17/563658017.db2.gz DGJVCCKQJFWQPN-QGZVFWFLSA-N 1 1 345.405 3.873 50 0 EHAAMO Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000014965297 563768727 /nfs/dbraw/zinc/76/87/27/563768727.db2.gz CKLGVBGVSOJRLL-GOSISDBHSA-N 1 1 326.440 3.633 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)C1 ZINC000072234695 563881634 /nfs/dbraw/zinc/88/16/34/563881634.db2.gz XIKNSFRTBPWJFA-PMPSAXMXSA-N 1 1 327.428 3.567 50 0 EHAAMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1csc2ccccc21 ZINC000072268280 563895305 /nfs/dbraw/zinc/89/53/05/563895305.db2.gz QPKKGBTZRXOTNL-KBPBESRZSA-N 1 1 331.485 3.555 50 0 EHAAMO COc1cccc(-c2noc3c2C[N@H+](C2Cc4ccccc4C2)CC3)c1 ZINC000039461303 563922569 /nfs/dbraw/zinc/92/25/69/563922569.db2.gz UAFCBAPCOIPRIZ-UHFFFAOYSA-N 1 1 346.430 3.876 50 0 EHAAMO Cc1ccccc1[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000033040105 563933208 /nfs/dbraw/zinc/93/32/08/563933208.db2.gz RUVNKTXWRXHSOA-LBPRGKRZSA-N 1 1 327.815 3.736 50 0 EHAAMO O=c1[nH]c(C[NH+]2CCC(CCc3ccccc3)CC2)nc2ccccc21 ZINC000011155093 563936367 /nfs/dbraw/zinc/93/63/67/563936367.db2.gz WYZMCTIIKSDILD-UHFFFAOYSA-N 1 1 347.462 3.768 50 0 EHAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)nc2ccc(Cl)cn12 ZINC000058193786 563939465 /nfs/dbraw/zinc/93/94/65/563939465.db2.gz NQEGMFPCMAITKL-CQSZACIVSA-N 1 1 345.855 3.747 50 0 EHAAMO C[C@@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000058345063 563943223 /nfs/dbraw/zinc/94/32/23/563943223.db2.gz XMGZOTNIVNOXIQ-JTQLQIEISA-N 1 1 336.233 3.729 50 0 EHAAMO c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2c2nncn2CC2CC2)[nH]1 ZINC000097941509 563950988 /nfs/dbraw/zinc/95/09/88/563950988.db2.gz ZONLYLRDAHGIBX-LJQANCHMSA-N 1 1 335.455 3.897 50 0 EHAAMO c1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2c2nncn2CC2CC2)[nH]1 ZINC000097941509 563950989 /nfs/dbraw/zinc/95/09/89/563950989.db2.gz ZONLYLRDAHGIBX-LJQANCHMSA-N 1 1 335.455 3.897 50 0 EHAAMO CC[C@@H](C1=CCC[N@H+](Cc2cc(F)ccc2Cl)C1)N(C)C(C)=O ZINC000065470123 563961426 /nfs/dbraw/zinc/96/14/26/563961426.db2.gz IIPLBIPRFNQQFR-SFHVURJKSA-N 1 1 338.854 3.868 50 0 EHAAMO CC[C@@H](C1=CCC[N@@H+](Cc2cc(F)ccc2Cl)C1)N(C)C(C)=O ZINC000065470123 563961427 /nfs/dbraw/zinc/96/14/27/563961427.db2.gz IIPLBIPRFNQQFR-SFHVURJKSA-N 1 1 338.854 3.868 50 0 EHAAMO CCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000067432856 563962290 /nfs/dbraw/zinc/96/22/90/563962290.db2.gz HKQXWMQZEKWVAL-IBGZPJMESA-N 1 1 326.444 3.506 50 0 EHAAMO Cc1c(C[N@H+](C)CCC(=O)N2CCC[C@H](C)C2)[nH]c2ccccc12 ZINC000067605432 563962398 /nfs/dbraw/zinc/96/23/98/563962398.db2.gz COEUAWMBKSGHLS-HNNXBMFYSA-N 1 1 327.472 3.557 50 0 EHAAMO CC(C)C[N@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000096817107 563962656 /nfs/dbraw/zinc/96/26/56/563962656.db2.gz QZGPEGRHSWSJIV-UHFFFAOYSA-N 1 1 341.238 3.667 50 0 EHAAMO CC(C)C[N@@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000096817107 563962657 /nfs/dbraw/zinc/96/26/57/563962657.db2.gz QZGPEGRHSWSJIV-UHFFFAOYSA-N 1 1 341.238 3.667 50 0 EHAAMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000067804311 563962777 /nfs/dbraw/zinc/96/27/77/563962777.db2.gz QJGGRZKDXAGBIH-MRXNPFEDSA-N 1 1 339.483 3.609 50 0 EHAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-c2ccc(F)cc2Cl)cc1 ZINC000067834122 563962829 /nfs/dbraw/zinc/96/28/29/563962829.db2.gz WGBBNFVCCCHBPE-GOSISDBHSA-N 1 1 335.806 3.512 50 0 EHAAMO Cc1ncsc1CC[N@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067880492 563962990 /nfs/dbraw/zinc/96/29/90/563962990.db2.gz DHFOOIXUZFDWLQ-UHFFFAOYSA-N 1 1 341.480 3.584 50 0 EHAAMO CC(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)C1=CCC[N@@H+](C)C1 ZINC000067982337 563963188 /nfs/dbraw/zinc/96/31/88/563963188.db2.gz MERJUVWUCFNEJW-MRXNPFEDSA-N 1 1 340.389 3.722 50 0 EHAAMO Cc1cccc(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1 ZINC000091254733 563975157 /nfs/dbraw/zinc/97/51/57/563975157.db2.gz YXQRJIJGIIFAOM-FGZHOGPDSA-N 1 1 348.490 3.661 50 0 EHAAMO CCCc1nc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)cs1 ZINC000091444665 563975420 /nfs/dbraw/zinc/97/54/20/563975420.db2.gz NYTQVMZQYBKFEX-OAHLLOKOSA-N 1 1 346.500 3.686 50 0 EHAAMO CCCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095367281 563976789 /nfs/dbraw/zinc/97/67/89/563976789.db2.gz OYNSZYWCGFLGGS-CWFSZBLJSA-N 1 1 348.437 3.544 50 0 EHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000095363346 563976797 /nfs/dbraw/zinc/97/67/97/563976797.db2.gz KHJLDLDEOSIDGD-CQSZACIVSA-N 1 1 348.796 3.849 50 0 EHAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1oc3ccc(C)cc3c1C)C2 ZINC000095381235 563976852 /nfs/dbraw/zinc/97/68/52/563976852.db2.gz ZRKHPRKBUDXPES-ZWKOTPCHSA-N 1 1 342.483 3.592 50 0 EHAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1oc3ccc(C)cc3c1C)C2 ZINC000095381235 563976853 /nfs/dbraw/zinc/97/68/53/563976853.db2.gz ZRKHPRKBUDXPES-ZWKOTPCHSA-N 1 1 342.483 3.592 50 0 EHAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1oc3ccc(C)cc3c1C)C2 ZINC000095381235 563976854 /nfs/dbraw/zinc/97/68/54/563976854.db2.gz ZRKHPRKBUDXPES-ZWKOTPCHSA-N 1 1 342.483 3.592 50 0 EHAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNc2nc(C)nc3ncccc32)C1 ZINC000095385945 563976926 /nfs/dbraw/zinc/97/69/26/563976926.db2.gz VQJOTFBLFGOCQZ-KRWDZBQOSA-N 1 1 347.466 3.543 50 0 EHAAMO c1cn(Cc2cscn2)c([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000095390224 563976932 /nfs/dbraw/zinc/97/69/32/563976932.db2.gz BWGPCSCLJZQKSL-QGZVFWFLSA-N 1 1 338.480 3.768 50 0 EHAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+]([C@H](C)CCSC)CC3)cc1 ZINC000096139573 563979484 /nfs/dbraw/zinc/97/94/84/563979484.db2.gz SLJVVJOEZJTBRJ-CYBMUJFWSA-N 1 1 331.485 3.585 50 0 EHAAMO CC[N@@H+](C)C1(CNc2nccc(-c3ccccn3)n2)CCCCC1 ZINC000097468484 563981556 /nfs/dbraw/zinc/98/15/56/563981556.db2.gz JJPSKXJWXDMHHU-UHFFFAOYSA-N 1 1 325.460 3.605 50 0 EHAAMO COc1cccc(C[N@@H+](Cc2scnc2C)C2CCC(O)CC2)c1 ZINC000092966847 563984301 /nfs/dbraw/zinc/98/43/01/563984301.db2.gz WJFACSMOFJQRJD-UHFFFAOYSA-N 1 1 346.496 3.766 50 0 EHAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000247846605 563986345 /nfs/dbraw/zinc/98/63/45/563986345.db2.gz PTHMDVFWWFEYJA-IPELMVKDSA-N 1 1 340.423 3.648 50 0 EHAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000247846605 563986346 /nfs/dbraw/zinc/98/63/46/563986346.db2.gz PTHMDVFWWFEYJA-IPELMVKDSA-N 1 1 340.423 3.648 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005350082 564003009 /nfs/dbraw/zinc/00/30/09/564003009.db2.gz NUXBPJRERSFVCH-RTWAWAEBSA-N 1 1 346.559 3.982 50 0 EHAAMO COc1cccc(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000005525680 564004987 /nfs/dbraw/zinc/00/49/87/564004987.db2.gz HVRINZSEISPUSB-ZWKOTPCHSA-N 1 1 329.827 3.877 50 0 EHAAMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000051058631 564014521 /nfs/dbraw/zinc/01/45/21/564014521.db2.gz YLSJQJDEKIOTRR-CQSZACIVSA-N 1 1 337.533 3.569 50 0 EHAAMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000051058631 564014522 /nfs/dbraw/zinc/01/45/22/564014522.db2.gz YLSJQJDEKIOTRR-CQSZACIVSA-N 1 1 337.533 3.569 50 0 EHAAMO c1cc([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000179856766 564022860 /nfs/dbraw/zinc/02/28/60/564022860.db2.gz RWNXJQBUPCWAMM-SFHVURJKSA-N 1 1 348.450 3.763 50 0 EHAAMO c1cc([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]n1 ZINC000179856766 564022861 /nfs/dbraw/zinc/02/28/61/564022861.db2.gz RWNXJQBUPCWAMM-SFHVURJKSA-N 1 1 348.450 3.763 50 0 EHAAMO c1cc([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]n1 ZINC000179856766 564022862 /nfs/dbraw/zinc/02/28/62/564022862.db2.gz RWNXJQBUPCWAMM-SFHVURJKSA-N 1 1 348.450 3.763 50 0 EHAAMO Cc1sc(-n2cccc2)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000047257472 564025957 /nfs/dbraw/zinc/02/59/57/564025957.db2.gz WHNHIJAKTVYMAQ-HZPDHXFCSA-N 1 1 343.496 3.512 50 0 EHAAMO CCN1C[C@H](C[N@@H+](C)Cc2cccc3cccnc32)Oc2ccccc21 ZINC000048333863 564031108 /nfs/dbraw/zinc/03/11/08/564031108.db2.gz IQCBHMDUPPBFLW-IBGZPJMESA-N 1 1 347.462 3.954 50 0 EHAAMO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)c1cnn(C)c1 ZINC000095968466 564034117 /nfs/dbraw/zinc/03/41/17/564034117.db2.gz XLFNXNYWHDAMBU-NXEZZACHSA-N 1 1 326.213 3.734 50 0 EHAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)CCc1c[nH]c2ccccc12 ZINC000223215698 564039249 /nfs/dbraw/zinc/03/92/49/564039249.db2.gz LHGBZOXADQJVFW-UHFFFAOYSA-N 1 1 347.462 3.705 50 0 EHAAMO FC(F)(F)Cn1nnnc1C[N@@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000225440699 564046762 /nfs/dbraw/zinc/04/67/62/564046762.db2.gz KHSCVFDAWZPECZ-AWEZNQCLSA-N 1 1 345.413 3.560 50 0 EHAAMO FC(F)(F)Cn1nnnc1C[N@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000225440699 564046763 /nfs/dbraw/zinc/04/67/63/564046763.db2.gz KHSCVFDAWZPECZ-AWEZNQCLSA-N 1 1 345.413 3.560 50 0 EHAAMO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1C(=O)c1ccccc1 ZINC000225509521 564047392 /nfs/dbraw/zinc/04/73/92/564047392.db2.gz FZZRCRAVVNGYPV-UHFFFAOYSA-N 1 1 344.842 3.851 50 0 EHAAMO CC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000012479602 564058014 /nfs/dbraw/zinc/05/80/14/564058014.db2.gz SGZGHZXSYDMUOA-HXUWFJFHSA-N 1 1 342.483 3.664 50 0 EHAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 ZINC000012525651 564058137 /nfs/dbraw/zinc/05/81/37/564058137.db2.gz CINRCDGIKYOVSR-KRWDZBQOSA-N 1 1 347.353 3.532 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+]2CCc3ccccc3C2)ccc1N1CCCC1 ZINC000012562372 564059642 /nfs/dbraw/zinc/05/96/42/564059642.db2.gz UQGNNPNTNAVEAG-UHFFFAOYSA-N 1 1 349.478 3.592 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+]2CCc3ccccc3C2)ccc1N1CCCC1 ZINC000012562372 564059643 /nfs/dbraw/zinc/05/96/43/564059643.db2.gz UQGNNPNTNAVEAG-UHFFFAOYSA-N 1 1 349.478 3.592 50 0 EHAAMO C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129495190 564063216 /nfs/dbraw/zinc/06/32/16/564063216.db2.gz SKNHPCBTNSBFNJ-SWLSCSKDSA-N 1 1 343.393 3.720 50 0 EHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000084789095 564070218 /nfs/dbraw/zinc/07/02/18/564070218.db2.gz NEGXBUMKWHYOEV-HNNXBMFYSA-N 1 1 335.451 3.783 50 0 EHAAMO O=C(/C=C/c1ccccc1)N1CC[N@@H+](C2CC2)C[C@H]1Cc1ccccc1 ZINC000085472688 564073451 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ZINC000010225878 564175148 /nfs/dbraw/zinc/17/51/48/564175148.db2.gz OHPKLFNEPGJUJS-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)Nc2ccc(C)c(C)c2)n1CC1CC1 ZINC000169788148 1032653292 /nfs/dbraw/zinc/65/32/92/1032653292.db2.gz QFTNLJJZUMBLRP-UHFFFAOYSA-N 1 1 326.444 3.583 50 0 EHAAMO CCn1nc(C)c(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1C ZINC000020600276 1018189583 /nfs/dbraw/zinc/18/95/83/1018189583.db2.gz FYGPEHNOOPSZPG-HXUWFJFHSA-N 1 1 340.515 3.616 50 0 EHAAMO CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2-c2ccco2)C1 ZINC000023232274 1029047889 /nfs/dbraw/zinc/04/78/89/1029047889.db2.gz KGHXEBIXRGVGKU-QUCCMNQESA-N 1 1 338.451 3.779 50 0 EHAAMO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000581807581 1035599647 /nfs/dbraw/zinc/59/96/47/1035599647.db2.gz OUKKNBOHBQKZST-FQEVSTJZSA-N 1 1 347.466 3.794 50 0 EHAAMO c1ccc(-c2nc(CC[C@H]3CCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000675019826 1039884997 /nfs/dbraw/zinc/88/49/97/1039884997.db2.gz JXJSLPYILOYEJN-GOSISDBHSA-N 1 1 334.423 3.729 50 0 EHAAMO CC(C)CC[N@@H+](C1CCOCC1)C1CCN(Cc2ccc[nH]2)CC1 ZINC000169752276 1040338281 /nfs/dbraw/zinc/33/82/81/1040338281.db2.gz SGABONAOVUHTBN-UHFFFAOYSA-N 1 1 333.520 3.506 50 0 EHAAMO CC[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2cc(OC)ccc2O1 ZINC000011911042 1129136353 /nfs/dbraw/zinc/13/63/53/1129136353.db2.gz LENXPXNSTGLRFV-QGZVFWFLSA-N 1 1 327.424 3.877 50 0 EHAAMO CC[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2cc(OC)ccc2O1 ZINC000011911042 1129136354 /nfs/dbraw/zinc/13/63/54/1129136354.db2.gz LENXPXNSTGLRFV-QGZVFWFLSA-N 1 1 327.424 3.877 50 0 EHAAMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000011945818 1129189231 /nfs/dbraw/zinc/18/92/31/1129189231.db2.gz NNSJCJBBEUGGDA-IBGZPJMESA-N 1 1 328.481 3.654 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)NC3CCCCC3)C2)n1CC1CC1 ZINC000581805455 1132367064 /nfs/dbraw/zinc/36/70/64/1132367064.db2.gz IJNVBTNEXIVRCZ-QGZVFWFLSA-N 1 1 344.503 3.508 50 0 EHAAMO Cc1[nH+]ccn1CCn1ccc(-c2cccc(-c3ccncc3)c2)n1 ZINC000200568940 1133891895 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Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000069435687 203000443 /nfs/dbraw/zinc/00/04/43/203000443.db2.gz OYKYQRLNLJOPLF-LJQANCHMSA-N 1 1 333.435 3.648 50 0 EHAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Nc1ccccc1C(F)(F)F ZINC000069698550 203036862 /nfs/dbraw/zinc/03/68/62/203036862.db2.gz NXCAAPZWSBHKMI-LLVKDONJSA-N 1 1 340.349 3.668 50 0 EHAAMO CC(C)[N@H+]1CCCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000069708820 203041299 /nfs/dbraw/zinc/04/12/99/203041299.db2.gz HGDDEPBTCSDVEV-MRXNPFEDSA-N 1 1 342.405 3.665 50 0 EHAAMO O=S(=O)(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000069873648 203059109 /nfs/dbraw/zinc/05/91/09/203059109.db2.gz XAERXGYEOHDAIT-MRXNPFEDSA-N 1 1 349.883 3.603 50 0 EHAAMO O=S(=O)(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000069873648 203059110 /nfs/dbraw/zinc/05/91/10/203059110.db2.gz XAERXGYEOHDAIT-MRXNPFEDSA-N 1 1 349.883 3.603 50 0 EHAAMO CC(C)(C[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCOCC1 ZINC000071415750 203095031 /nfs/dbraw/zinc/09/50/31/203095031.db2.gz LHBHCNICVWWQJC-LJQANCHMSA-N 1 1 348.506 3.581 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H](C)c1nn2c(nnc2C2CCCC2)s1 ZINC000071775567 203111694 /nfs/dbraw/zinc/11/16/94/203111694.db2.gz YEYUZOMHEOCUGT-NSHDSACASA-N 1 1 330.461 3.773 50 0 EHAAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000071661685 203102062 /nfs/dbraw/zinc/10/20/62/203102062.db2.gz ZGSBXBVISGIJFK-SFHVURJKSA-N 1 1 333.435 3.700 50 0 EHAAMO Cc1cc(Cl)cc2c(N3CCO[C@H](C(F)(F)F)C3)cc[nH+]c12 ZINC000071754093 203107653 /nfs/dbraw/zinc/10/76/53/203107653.db2.gz VRKIPFBBKGEAJY-ZDUSSCGKSA-N 1 1 330.737 3.964 50 0 EHAAMO CCCOCC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071760316 203109525 /nfs/dbraw/zinc/10/95/25/203109525.db2.gz FIQHFQIEEPQDCD-FQEVSTJZSA-N 1 1 336.495 3.785 50 0 EHAAMO CCCOCCN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071760316 203109529 /nfs/dbraw/zinc/10/95/29/203109529.db2.gz FIQHFQIEEPQDCD-FQEVSTJZSA-N 1 1 336.495 3.785 50 0 EHAAMO CCCOCCN1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071760316 203109532 /nfs/dbraw/zinc/10/95/32/203109532.db2.gz FIQHFQIEEPQDCD-FQEVSTJZSA-N 1 1 336.495 3.785 50 0 EHAAMO Cc1c[nH]c(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)c(C)c1=O ZINC000072133137 203167251 /nfs/dbraw/zinc/16/72/51/203167251.db2.gz IMWNXIGWFIIVNQ-SFHVURJKSA-N 1 1 342.458 3.976 50 0 EHAAMO Cc1cccc(C[NH+]2CCN(Cc3cccc4cnccc43)CC2)c1 ZINC000072138935 203167852 /nfs/dbraw/zinc/16/78/52/203167852.db2.gz WJMINGBMTAJGLI-UHFFFAOYSA-N 1 1 331.463 3.861 50 0 EHAAMO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12 ZINC000072143445 203169351 /nfs/dbraw/zinc/16/93/51/203169351.db2.gz FNOSVKFGJCBHOY-UHFFFAOYSA-N 1 1 347.397 3.587 50 0 EHAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3C)C2)cc1=O ZINC000072161302 203176466 /nfs/dbraw/zinc/17/64/66/203176466.db2.gz WVMBKBAYWVZBDL-QGZVFWFLSA-N 1 1 340.467 3.949 50 0 EHAAMO CCn1ncc(C[N@H+]2CCC[C@@H](COc3ccc(OC)cc3)C2)c1C ZINC000072169739 203181271 /nfs/dbraw/zinc/18/12/71/203181271.db2.gz BXLALFKQVZRXCY-QGZVFWFLSA-N 1 1 343.471 3.511 50 0 EHAAMO C[N@H+](Cc1cnc(-c2ccco2)nc1)Cc1cccc(-n2cccn2)c1 ZINC000072458772 203227574 /nfs/dbraw/zinc/22/75/74/203227574.db2.gz ZHAHNJDHGHHCJQ-UHFFFAOYSA-N 1 1 345.406 3.554 50 0 EHAAMO CC(C)(C)c1cc(CN2CCC[N@@H+](Cc3cccc(F)c3)CC2)[nH]n1 ZINC000072477451 203232033 /nfs/dbraw/zinc/23/20/33/203232033.db2.gz HZNWCYPVPRLECV-UHFFFAOYSA-N 1 1 344.478 3.554 50 0 EHAAMO CCNc1nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)cc(C)[nH+]1 ZINC000072437323 203224359 /nfs/dbraw/zinc/22/43/59/203224359.db2.gz MNFCNJLCNJTTOA-UHFFFAOYSA-N 1 1 327.432 3.945 50 0 EHAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000075094180 203299968 /nfs/dbraw/zinc/29/99/68/203299968.db2.gz MNPAUIWVVPKAOQ-WCQYABFASA-N 1 1 327.831 3.816 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(Cl)cc1 ZINC000048366985 204351829 /nfs/dbraw/zinc/35/18/29/204351829.db2.gz MATNAHFQANWPDF-INIZCTEOSA-N 1 1 334.872 3.855 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(Cl)cc1 ZINC000048366985 204351832 /nfs/dbraw/zinc/35/18/32/204351832.db2.gz MATNAHFQANWPDF-INIZCTEOSA-N 1 1 334.872 3.855 50 0 EHAAMO C[C@H]([NH2+][C@H](c1nccs1)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000095423355 218365833 /nfs/dbraw/zinc/36/58/33/218365833.db2.gz MSGNTEUWYJDNBY-LRDDRELGSA-N 1 1 343.452 3.902 50 0 EHAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 ZINC000299786584 258093830 /nfs/dbraw/zinc/09/38/30/258093830.db2.gz VUAHUUYVLSIKEE-UIAACRFSSA-N 1 1 346.446 3.774 50 0 EHAAMO OCCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC000215986598 258072136 /nfs/dbraw/zinc/07/21/36/258072136.db2.gz SSMSSYDSQBAULI-MRXNPFEDSA-N 1 1 331.843 3.701 50 0 EHAAMO COc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc(OC)c1 ZINC000055292075 132194766 /nfs/dbraw/zinc/19/47/66/132194766.db2.gz APKWFMHBLKGTCR-UHFFFAOYSA-N 1 1 340.467 3.643 50 0 EHAAMO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000055543158 132195739 /nfs/dbraw/zinc/19/57/39/132195739.db2.gz WIYKDSJZNWYSGC-UHFFFAOYSA-N 1 1 346.858 3.679 50 0 EHAAMO COc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1 ZINC000241946712 524973711 /nfs/dbraw/zinc/97/37/11/524973711.db2.gz UNIOPIHHZCUNIF-HZPDHXFCSA-N 1 1 335.488 3.607 50 0 EHAAMO COc1ccc(CC[N@@H+](C)[C@H](C)Cc2ccc(F)cc2)cc1OC ZINC000000212185 563261089 /nfs/dbraw/zinc/26/10/89/563261089.db2.gz CQWXATHCZOZKTC-OAHLLOKOSA-N 1 1 331.431 3.948 50 0 EHAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1 ZINC000002180650 563425461 /nfs/dbraw/zinc/42/54/61/563425461.db2.gz YVMDZKMRJDHKOM-HNNXBMFYSA-N 1 1 347.842 3.783 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004744298 563509977 /nfs/dbraw/zinc/50/99/77/563509977.db2.gz FNBMJZIPZAPMMH-GASCZTMLSA-N 1 1 334.891 3.923 50 0 EHAAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000004743699 563510023 /nfs/dbraw/zinc/51/00/23/563510023.db2.gz FEJOULHSKJVETA-GFCCVEGCSA-N 1 1 325.250 3.510 50 0 EHAAMO CCOC(=O)C1CC[NH+](CCOc2c(C)ccc(C)c2Cl)CC1 ZINC000006703885 563581241 /nfs/dbraw/zinc/58/12/41/563581241.db2.gz CCFXLHOACTYTOI-UHFFFAOYSA-N 1 1 339.863 3.611 50 0 EHAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011844474 563651836 /nfs/dbraw/zinc/65/18/36/563651836.db2.gz FTGBRKBEXANCDO-GOSISDBHSA-N 1 1 342.483 3.504 50 0 EHAAMO CCCn1ncc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1C ZINC000012372840 563658801 /nfs/dbraw/zinc/65/88/01/563658801.db2.gz UCXHGEYWUNHKDM-IBGZPJMESA-N 1 1 330.451 3.817 50 0 EHAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc(C(C)(C)C)c1O ZINC000012381547 563659459 /nfs/dbraw/zinc/65/94/59/563659459.db2.gz XLZSSFDIZGUVAB-HNNXBMFYSA-N 1 1 346.515 3.685 50 0 EHAAMO CCn1ccnc1C[N@@H+]1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012443560 563660875 /nfs/dbraw/zinc/66/08/75/563660875.db2.gz PJYMORMJBDQKLB-NRFANRHFSA-N 1 1 341.499 3.500 50 0 EHAAMO CCn1ccnc1C[N@H+]1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012443560 563660877 /nfs/dbraw/zinc/66/08/77/563660877.db2.gz PJYMORMJBDQKLB-NRFANRHFSA-N 1 1 341.499 3.500 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2)N3)C1 ZINC000004556158 563779198 /nfs/dbraw/zinc/77/91/98/563779198.db2.gz ZOQNUXFLROJACB-MRXNPFEDSA-N 1 1 343.452 3.564 50 0 EHAAMO C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCCc2ccccc21 ZINC000016342732 563808835 /nfs/dbraw/zinc/80/88/35/563808835.db2.gz SKNNPNCIXNDKME-OAQYLSRUSA-N 1 1 334.463 3.581 50 0 EHAAMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000016420777 563810933 /nfs/dbraw/zinc/81/09/33/563810933.db2.gz VBLFJRYAZQAZCM-CYBMUJFWSA-N 1 1 348.899 3.979 50 0 EHAAMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000016420777 563810935 /nfs/dbraw/zinc/81/09/35/563810935.db2.gz VBLFJRYAZQAZCM-CYBMUJFWSA-N 1 1 348.899 3.979 50 0 EHAAMO C[C@@H](CO)C[N@@H+](Cc1ccccc1)Cc1ccccc1Cn1cccn1 ZINC000055053647 563933499 /nfs/dbraw/zinc/93/34/99/563933499.db2.gz CWRIIBHWHFYTQE-LJQANCHMSA-N 1 1 349.478 3.562 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C ZINC000055089122 563933573 /nfs/dbraw/zinc/93/35/73/563933573.db2.gz CBOWWXYIRHBPRJ-SFHVURJKSA-N 1 1 329.488 3.789 50 0 EHAAMO COCC[N@@H+](Cc1cccn1-c1ccccn1)Cc1sccc1C ZINC000055119723 563933775 /nfs/dbraw/zinc/93/37/75/563933775.db2.gz RVRRCUCOHOPYFA-UHFFFAOYSA-N 1 1 341.480 3.891 50 0 EHAAMO C[NH+](C)C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000055119003 563933779 /nfs/dbraw/zinc/93/37/79/563933779.db2.gz IRAUJYHZJCZBIE-IBGZPJMESA-N 1 1 338.430 3.608 50 0 EHAAMO CCCCOc1c(C[N@H+]2CCC[C@H]2Cn2cccn2)cccc1OC ZINC000055383921 563934575 /nfs/dbraw/zinc/93/45/75/563934575.db2.gz SOWPYXGJAVWLKL-SFHVURJKSA-N 1 1 343.471 3.735 50 0 EHAAMO COc1ccc(OC)c2c1C[N@H+]([C@@H]1CCCc3ccccc31)C[C@H]2O ZINC000058009133 563936570 /nfs/dbraw/zinc/93/65/70/563936570.db2.gz LTTAMEKSNPHXFV-QZTJIDSGSA-N 1 1 339.435 3.630 50 0 EHAAMO O=C(C[NH+]1CCCC1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 ZINC000058161659 563938411 /nfs/dbraw/zinc/93/84/11/563938411.db2.gz XOXUXAVIVLYKGZ-OAHLLOKOSA-N 1 1 345.493 3.583 50 0 EHAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000058306784 563942211 /nfs/dbraw/zinc/94/22/11/563942211.db2.gz 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/nfs/dbraw/zinc/97/58/18/563975818.db2.gz CCBSGZKALPKOJC-IBGZPJMESA-N 1 1 347.528 3.599 50 0 EHAAMO OCc1cccc(C[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000091951461 563975927 /nfs/dbraw/zinc/97/59/27/563975927.db2.gz QDDWFFUGTRTSON-KRWDZBQOSA-N 1 1 347.405 3.845 50 0 EHAAMO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@]1(O)C1CC1 ZINC000092003833 563975979 /nfs/dbraw/zinc/97/59/79/563975979.db2.gz CKHMNMQPQRSSEN-BZNIZROVSA-N 1 1 331.353 3.827 50 0 EHAAMO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@]1(O)C1CC1 ZINC000092003833 563975980 /nfs/dbraw/zinc/97/59/80/563975980.db2.gz CKHMNMQPQRSSEN-BZNIZROVSA-N 1 1 331.353 3.827 50 0 EHAAMO CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095361581 563976816 /nfs/dbraw/zinc/97/68/16/563976816.db2.gz QCDRCEZGCXKSFM-SFHVURJKSA-N 1 1 326.484 3.657 50 0 EHAAMO COc1cccc(-c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)c1 ZINC000095516509 563977301 /nfs/dbraw/zinc/97/73/01/563977301.db2.gz SGIXMXHXJBMHPH-SFHVURJKSA-N 1 1 339.439 3.530 50 0 EHAAMO COC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000095527449 563977523 /nfs/dbraw/zinc/97/75/23/563977523.db2.gz XBONGDYOTLZCNP-GOSISDBHSA-N 1 1 345.487 3.695 50 0 EHAAMO Cc1nccc(-c2cccc(NC(=O)CCn3cc[nH+]c3C(C)C)c2)n1 ZINC000173908594 564012279 /nfs/dbraw/zinc/01/22/79/564012279.db2.gz QCONMCZCEULGLT-UHFFFAOYSA-N 1 1 349.438 3.801 50 0 EHAAMO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)c1ccccc1 ZINC000051187609 564021347 /nfs/dbraw/zinc/02/13/47/564021347.db2.gz RZMCDZJPYHIMSZ-GOSISDBHSA-N 1 1 340.423 3.870 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1ccccc1 ZINC000103936442 564023365 /nfs/dbraw/zinc/02/33/65/564023365.db2.gz JOWLYUCBGVOSBK-RHSMWYFYSA-N 1 1 328.481 3.935 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1 ZINC000103936442 564023366 /nfs/dbraw/zinc/02/33/66/564023366.db2.gz JOWLYUCBGVOSBK-RHSMWYFYSA-N 1 1 328.481 3.935 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000044670938 564027087 /nfs/dbraw/zinc/02/70/87/564027087.db2.gz 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564051796 /nfs/dbraw/zinc/05/17/96/564051796.db2.gz GVMGBYIZLTYKPN-YLJYHZDGSA-N 1 1 340.467 3.644 50 0 EHAAMO COc1cccc(C[N@@H+](Cc2cnn(C)c2C)C2CCCC2)c1OC ZINC000244866630 564052353 /nfs/dbraw/zinc/05/23/53/564052353.db2.gz VZLBBPLMUOYOBG-UHFFFAOYSA-N 1 1 343.471 3.691 50 0 EHAAMO Cc1ncc([C@@H](C)[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)s1 ZINC000090419274 564084393 /nfs/dbraw/zinc/08/43/93/564084393.db2.gz HBPPSYNDLUWLES-MRVPVSSYSA-N 1 1 342.367 3.632 50 0 EHAAMO O=C1CCCN1CCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000064140324 564085280 /nfs/dbraw/zinc/08/52/80/564085280.db2.gz GZLSGVZFIBTETK-NRFANRHFSA-N 1 1 334.463 3.647 50 0 EHAAMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000123732063 564086767 /nfs/dbraw/zinc/08/67/67/564086767.db2.gz MJFWOZWGOIXWDB-DOTOQJQBSA-N 1 1 341.455 3.581 50 0 EHAAMO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CC[N@H+]1C ZINC000521396277 564090899 /nfs/dbraw/zinc/09/08/99/564090899.db2.gz GVUMLVCVGHLFCL-HLLBOEOZSA-N 1 1 342.487 3.525 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CC(C)C)cc1 ZINC000064590812 564092629 /nfs/dbraw/zinc/09/26/29/564092629.db2.gz BRJKTBWPYUADPI-UHFFFAOYSA-N 1 1 349.478 3.970 50 0 EHAAMO Cc1[nH+]c2cc3c(cc2n1CCOc1cc(C)ccc1C)OCCO3 ZINC000064795020 564096279 /nfs/dbraw/zinc/09/62/79/564096279.db2.gz GYOHVPKVZWJBPE-UHFFFAOYSA-N 1 1 338.407 3.812 50 0 EHAAMO C[C@@H](C(=O)N(CC1CC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cccc1 ZINC000524732244 564103734 /nfs/dbraw/zinc/10/37/34/564103734.db2.gz SQAOICDMAXKPBD-YSIASYRMSA-N 1 1 343.515 3.552 50 0 biogenic EHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000065522970 564106874 /nfs/dbraw/zinc/10/68/74/564106874.db2.gz ZNFBJARCRKISNE-UHFFFAOYSA-N 1 1 330.472 3.627 50 0 EHAAMO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840168 564114173 /nfs/dbraw/zinc/11/41/73/564114173.db2.gz MZUYBCUWNXCVQA-KRWDZBQOSA-N 1 1 326.488 3.643 50 0 EHAAMO CC(C)CN1CCC([NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840168 564114174 /nfs/dbraw/zinc/11/41/74/564114174.db2.gz MZUYBCUWNXCVQA-KRWDZBQOSA-N 1 1 326.488 3.643 50 0 EHAAMO Cc1c(C(=O)Nc2ccc(Cl)cc2F)cnn1-c1cc[nH+]cc1 ZINC000090069112 564116239 /nfs/dbraw/zinc/11/62/39/564116239.db2.gz OOKDSCBQUQEGRH-UHFFFAOYSA-N 1 1 330.750 3.621 50 0 EHAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000007636327 564121361 /nfs/dbraw/zinc/12/13/61/564121361.db2.gz XLTTYAARRSXXTO-NRFANRHFSA-N 1 1 341.495 3.907 50 0 EHAAMO CC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000584886488 564131509 /nfs/dbraw/zinc/13/15/09/564131509.db2.gz XMPIOKYOMVKUIM-GOSISDBHSA-N 1 1 347.478 3.764 50 0 EHAAMO CCc1nc(-c2cccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c2)ccc1C ZINC000584900268 564131686 /nfs/dbraw/zinc/13/16/86/564131686.db2.gz LVDLIHCZLCQSNO-IBGZPJMESA-N 1 1 349.478 3.540 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1OC ZINC000093453536 564137572 /nfs/dbraw/zinc/13/75/72/564137572.db2.gz MAPXNEAETHFXSU-QGZVFWFLSA-N 1 1 342.439 3.753 50 0 EHAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000079013296 564137584 /nfs/dbraw/zinc/13/75/84/564137584.db2.gz FTLZEAPBZLREGZ-NVXWUHKLSA-N 1 1 342.439 3.874 50 0 EHAAMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccco1 ZINC000095422404 564140126 /nfs/dbraw/zinc/14/01/26/564140126.db2.gz HUJCNKGNKMHROU-KBPBESRZSA-N 1 1 332.419 3.792 50 0 EHAAMO Cc1cccc2nc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)cn21 ZINC000095437370 564140416 /nfs/dbraw/zinc/14/04/16/564140416.db2.gz MEHYANJNXTWBAG-UHFFFAOYSA-N 1 1 335.329 3.673 50 0 EHAAMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000095453112 564140608 /nfs/dbraw/zinc/14/06/08/564140608.db2.gz XMVBXBRFNRQHFK-UHFFFAOYSA-N 1 1 332.463 3.627 50 0 EHAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C[C@@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000095455739 564140611 /nfs/dbraw/zinc/14/06/11/564140611.db2.gz JUNVXFXTRZOKNV-PZJWPPBQSA-N 1 1 346.515 3.779 50 0 EHAAMO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095948093 564142288 /nfs/dbraw/zinc/14/22/88/564142288.db2.gz VBKCPDOWRYBTTB-GUDVDZBRSA-N 1 1 345.462 3.593 50 0 EHAAMO Cc1nnc(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCc3ccccc32)o1 ZINC000095983397 564143803 /nfs/dbraw/zinc/14/38/03/564143803.db2.gz CREVZWPFPTTYDE-RTBURBONSA-N 1 1 325.456 3.895 50 0 EHAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000095986367 564143949 /nfs/dbraw/zinc/14/39/49/564143949.db2.gz VYCMFQCEAAHWGU-HNNXBMFYSA-N 1 1 343.393 3.584 50 0 EHAAMO C[N@@H+](C[C@@H](O)CCc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096013746 564144841 /nfs/dbraw/zinc/14/48/41/564144841.db2.gz LNVKTJAPYHTFRQ-YADHBBJMSA-N 1 1 338.495 3.581 50 0 EHAAMO Fc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021381 564149153 /nfs/dbraw/zinc/14/91/53/564149153.db2.gz SQDVGCZMAIJVAC-ZCNNSNEGSA-N 1 1 325.431 3.527 50 0 EHAAMO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)no1 ZINC000057327704 564153601 /nfs/dbraw/zinc/15/36/01/564153601.db2.gz ZECRKFIZJPENRW-HXUWFJFHSA-N 1 1 335.407 3.609 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000057863876 564156276 /nfs/dbraw/zinc/15/62/76/564156276.db2.gz KRHGFFVACNBCKL-LBPRGKRZSA-N 1 1 330.815 3.659 50 0 EHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000003325377 564157331 /nfs/dbraw/zinc/15/73/31/564157331.db2.gz NNLXXYXBDPRDOT-UHFFFAOYSA-N 1 1 332.447 3.903 50 0 EHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000003325377 564157332 /nfs/dbraw/zinc/15/73/32/564157332.db2.gz NNLXXYXBDPRDOT-UHFFFAOYSA-N 1 1 332.447 3.903 50 0 EHAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000003540067 564158860 /nfs/dbraw/zinc/15/88/60/564158860.db2.gz KHYOUKGFNWGBGD-UHFFFAOYSA-N 1 1 341.480 3.686 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000229427462 564160909 /nfs/dbraw/zinc/16/09/09/564160909.db2.gz AAZAVONODRBHGA-FPCVCCKLSA-N 1 1 346.437 3.830 50 0 EHAAMO CC[N@@H+]1CCc2nc(NC(=O)CCCc3cccs3)sc2C1 ZINC000040460748 564169568 /nfs/dbraw/zinc/16/95/68/564169568.db2.gz DPXBXLCKXZIUKM-UHFFFAOYSA-N 1 1 335.498 3.544 50 0 EHAAMO CC[N@H+]1CCc2nc(NC(=O)CCCc3cccs3)sc2C1 ZINC000040460748 564169569 /nfs/dbraw/zinc/16/95/69/564169569.db2.gz DPXBXLCKXZIUKM-UHFFFAOYSA-N 1 1 335.498 3.544 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cc(F)ccc1F ZINC000042201812 564174726 /nfs/dbraw/zinc/17/47/26/564174726.db2.gz HTJUCDHMOUIBAG-LLVKDONJSA-N 1 1 332.329 3.535 50 0 EHAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000010229041 564175178 /nfs/dbraw/zinc/17/51/78/564175178.db2.gz UMJFMRNPYLTKLX-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000010229041 564175179 /nfs/dbraw/zinc/17/51/79/564175179.db2.gz UMJFMRNPYLTKLX-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO COC[C@@H]1OCC[N@H+](Cc2ccc(C)c(C)c2)[C@H]1c1ccccc1 ZINC000169787322 1032648932 /nfs/dbraw/zinc/64/89/32/1032648932.db2.gz RVHWEAUKGHMSKP-SFTDATJTSA-N 1 1 325.452 3.892 50 0 EHAAMO COC[C@@H]1OCC[N@@H+](Cc2ccc(C)c(C)c2)[C@H]1c1ccccc1 ZINC000169787322 1032648947 /nfs/dbraw/zinc/64/89/47/1032648947.db2.gz RVHWEAUKGHMSKP-SFTDATJTSA-N 1 1 325.452 3.892 50 0 EHAAMO COCCCn1c(C)cnc1[C@@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000169788033 1032653125 /nfs/dbraw/zinc/65/31/25/1032653125.db2.gz DAJLCQPAGYJBMN-MRXNPFEDSA-N 1 1 333.501 3.587 50 0 EHAAMO COCC1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC1 ZINC000284065454 1018167178 /nfs/dbraw/zinc/16/71/78/1018167178.db2.gz QICWMIDSMWAOBI-UHFFFAOYSA-N 1 1 341.455 3.810 50 0 EHAAMO COc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1OCc1ccccc1 ZINC000008675580 1033948134 /nfs/dbraw/zinc/94/81/34/1033948134.db2.gz SCQLCWDRKPAQAI-IBGZPJMESA-N 1 1 341.451 3.621 50 0 EHAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1cc2ccccc2o1 ZINC000084697500 1039356462 /nfs/dbraw/zinc/35/64/62/1039356462.db2.gz FYYXPJOZBQUVEH-UETGSQEOSA-N 1 1 326.440 3.683 50 0 EHAAMO O[C@H]1C[N@H+](CC2=Cc3cc(Cl)ccc3OC2)Cc2ccccc21 ZINC000825569620 1131281869 /nfs/dbraw/zinc/28/18/69/1131281869.db2.gz ZLSDWTGNHWWWBI-SFHVURJKSA-N 1 1 327.811 3.665 50 0 EHAAMO O[C@H]1C[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)Cc2ccccc21 ZINC000825569620 1131281873 /nfs/dbraw/zinc/28/18/73/1131281873.db2.gz ZLSDWTGNHWWWBI-SFHVURJKSA-N 1 1 327.811 3.665 50 0 EHAAMO Cc1[nH+]cn(CCNC(=O)c2cccc(-c3ccccc3C)c2)c1C ZINC000828172131 1131424243 /nfs/dbraw/zinc/42/42/43/1131424243.db2.gz ROVBPMFSJQKRCZ-UHFFFAOYSA-N 1 1 333.435 3.905 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581815667 1132372278 /nfs/dbraw/zinc/37/22/78/1132372278.db2.gz FNJPWJOSYCINRY-QGZVFWFLSA-N 1 1 331.504 3.963 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000581815863 1132372807 /nfs/dbraw/zinc/37/28/07/1132372807.db2.gz JPELVEQTFDXTEI-GOSISDBHSA-N 1 1 325.456 3.550 50 0 EHAAMO CC[C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C ZINC000952969989 1137484085 /nfs/dbraw/zinc/48/40/85/1137484085.db2.gz JEABFXUXEWSJFP-GOSISDBHSA-N 1 1 333.495 3.599 50 0 EHAAMO CC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@@H+]1C(C)C ZINC000952969989 1137484086 /nfs/dbraw/zinc/48/40/86/1137484086.db2.gz JEABFXUXEWSJFP-GOSISDBHSA-N 1 1 333.495 3.599 50 0 EHAAMO CC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@H+]1C(C)C ZINC000952969989 1137484087 /nfs/dbraw/zinc/48/40/87/1137484087.db2.gz JEABFXUXEWSJFP-GOSISDBHSA-N 1 1 333.495 3.599 50 0 EHAAMO CN(C)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1Cl ZINC000952985197 1137485482 /nfs/dbraw/zinc/48/54/82/1137485482.db2.gz QMEUSLZWHWDEHU-UHFFFAOYSA-N 1 1 349.837 3.616 50 0 EHAAMO CN(C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1Cl ZINC000952985197 1137485483 /nfs/dbraw/zinc/48/54/83/1137485483.db2.gz QMEUSLZWHWDEHU-UHFFFAOYSA-N 1 1 349.837 3.616 50 0 EHAAMO Fc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000019537652 202012141 /nfs/dbraw/zinc/01/21/41/202012141.db2.gz DYLMCLFCOUFRHT-QPJJXVBHSA-N 1 1 328.406 3.796 50 0 EHAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(CC)cc3)CC2)cc1 ZINC000019842258 202023232 /nfs/dbraw/zinc/02/32/32/202023232.db2.gz KPACHBQGIGPENA-UHFFFAOYSA-N 1 1 338.495 3.966 50 0 EHAAMO CN1CC[NH+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020118139 202033076 /nfs/dbraw/zinc/03/30/76/202033076.db2.gz NZLOKOMSVKGYAL-UHFFFAOYSA-N 1 1 338.495 3.639 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000020149404 202033977 /nfs/dbraw/zinc/03/39/77/202033977.db2.gz NOBWVPCBTBEHBC-UHFFFAOYSA-N 1 1 332.363 3.503 50 0 EHAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC000021720960 202069230 /nfs/dbraw/zinc/06/92/30/202069230.db2.gz XRXLJBZYGHCIQO-HNNXBMFYSA-N 1 1 330.428 3.900 50 0 EHAAMO c1ccc2[nH]c(CN[C@H]3CCC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000023374206 202102991 /nfs/dbraw/zinc/10/29/91/202102991.db2.gz ZNGSIQHIVXLVOX-KRWDZBQOSA-N 1 1 326.488 3.697 50 0 EHAAMO CN1CCC[C@]2(CC[N@@H+](Cc3sc4ccccc4c3Cl)C2)C1=O ZINC000012298982 202111123 /nfs/dbraw/zinc/11/11/23/202111123.db2.gz UUMOIBNWGNTFJM-GOSISDBHSA-N 1 1 348.899 3.999 50 0 EHAAMO COc1ccc(CC[N@@H+](C)Cc2nc3ccccc3s2)cc1OC ZINC000030482167 202196418 /nfs/dbraw/zinc/19/64/18/202196418.db2.gz JLASXZCZRJEXOZ-UHFFFAOYSA-N 1 1 342.464 3.988 50 0 EHAAMO Cc1ccsc1C[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000032870836 202238687 /nfs/dbraw/zinc/23/86/87/202238687.db2.gz KYDMFITWKQXRMY-UHFFFAOYSA-N 1 1 336.888 3.848 50 0 EHAAMO CC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033069029 202250186 /nfs/dbraw/zinc/25/01/86/202250186.db2.gz FVNSPLNVFCMQPU-UHFFFAOYSA-N 1 1 341.480 3.902 50 0 EHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000069919801 202292977 /nfs/dbraw/zinc/29/29/77/202292977.db2.gz NRSHRFNWGMCVEU-ZDUSSCGKSA-N 1 1 340.402 3.543 50 0 EHAAMO NC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000069775836 202293044 /nfs/dbraw/zinc/29/30/44/202293044.db2.gz MUINTDPMFXYFGH-HXUWFJFHSA-N 1 1 334.394 3.804 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)o1 ZINC000036097614 202315104 /nfs/dbraw/zinc/31/51/04/202315104.db2.gz WKNZNXSPFORXLD-SFHVURJKSA-N 1 1 325.408 3.787 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)o1 ZINC000036097614 202315105 /nfs/dbraw/zinc/31/51/05/202315105.db2.gz WKNZNXSPFORXLD-SFHVURJKSA-N 1 1 325.408 3.787 50 0 EHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104084 202315603 /nfs/dbraw/zinc/31/56/03/202315603.db2.gz OUKWPEMFCQQUGE-IBGZPJMESA-N 1 1 349.421 3.753 50 0 EHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104084 202315606 /nfs/dbraw/zinc/31/56/06/202315606.db2.gz OUKWPEMFCQQUGE-IBGZPJMESA-N 1 1 349.421 3.753 50 0 EHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104295 202316259 /nfs/dbraw/zinc/31/62/59/202316259.db2.gz ZAWLFBMECSTKRB-NRFANRHFSA-N 1 1 345.458 3.861 50 0 EHAAMO CC(=O)n1cc(C[C@H]2CCC[N@@H+]2C)c2cc(Br)ccc21 ZINC000036422958 202326221 /nfs/dbraw/zinc/32/62/21/202326221.db2.gz PIIFSFIOOCHDIK-CQSZACIVSA-N 1 1 335.245 3.701 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000071870731 202350145 /nfs/dbraw/zinc/35/01/45/202350145.db2.gz MKBKBPLKVJGVAO-GFCCVEGCSA-N 1 1 335.810 3.715 50 0 EHAAMO Cc1[nH+]ccn1-c1cncc(N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000131067486 223201682 /nfs/dbraw/zinc/20/16/82/223201682.db2.gz CUIHMAHYLGQSPG-CQSZACIVSA-N 1 1 341.415 3.759 50 0 EHAAMO c1cn2c([nH+]1)C[C@H](c1nc(-c3ccc(N4CCCCC4)cc3)no1)CC2 ZINC000193212130 240061639 /nfs/dbraw/zinc/06/16/39/240061639.db2.gz OEKRUSAAPGMLOY-MRXNPFEDSA-N 1 1 349.438 3.653 50 0 EHAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cnc(N3CCCC3)s2)c1 ZINC000215194589 241111599 /nfs/dbraw/zinc/11/15/99/241111599.db2.gz QQGCAQLJIVZSKL-HNNXBMFYSA-N 1 1 330.501 3.510 50 0 EHAAMO COc1ccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1Cl ZINC000216260339 241178373 /nfs/dbraw/zinc/17/83/73/241178373.db2.gz BAOZSYFXIPAQQY-KRWDZBQOSA-N 1 1 346.858 3.925 50 0 EHAAMO COc1ccc(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1Cl ZINC000216260339 241178380 /nfs/dbraw/zinc/17/83/80/241178380.db2.gz BAOZSYFXIPAQQY-KRWDZBQOSA-N 1 1 346.858 3.925 50 0 EHAAMO CCc1[nH+]ccn1CCCNC(=O)c1cc(C(F)(F)F)ccc1C ZINC000218874799 241348043 /nfs/dbraw/zinc/34/80/43/241348043.db2.gz 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COc1cccc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C[C@H]2O)c1 ZINC000065453017 563961081 /nfs/dbraw/zinc/96/10/81/563961081.db2.gz HIIWGZUQNOAUQP-RBBKRZOGSA-N 1 1 348.446 3.594 50 0 EHAAMO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067676659 563962438 /nfs/dbraw/zinc/96/24/38/563962438.db2.gz LKWRPEGALAIBQQ-GFCCVEGCSA-N 1 1 342.424 3.576 50 0 EHAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067676659 563962439 /nfs/dbraw/zinc/96/24/39/563962439.db2.gz LKWRPEGALAIBQQ-GFCCVEGCSA-N 1 1 342.424 3.576 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@@H]1CCOC1)CCO2 ZINC000067712865 563962559 /nfs/dbraw/zinc/96/25/59/563962559.db2.gz BYFNJFAWBSZCFA-INIZCTEOSA-N 1 1 339.435 3.599 50 0 EHAAMO COc1cccc(Cn2cc[nH+]c2[C@@H]2CCOC(C)(C)C2)c1OC ZINC000067714782 563962573 /nfs/dbraw/zinc/96/25/73/563962573.db2.gz BXYBLSICESOXCW-CQSZACIVSA-N 1 1 330.428 3.621 50 0 EHAAMO Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067983180 563963227 /nfs/dbraw/zinc/96/32/27/563963227.db2.gz WXNNUQJUWXEFGE-HNNXBMFYSA-N 1 1 346.858 3.883 50 0 EHAAMO c1ccc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2cccnc2)cc1 ZINC000097227710 563970575 /nfs/dbraw/zinc/97/05/75/563970575.db2.gz XQRUDZUHDRNLIE-QFIPXVFZSA-N 1 1 344.462 3.956 50 0 EHAAMO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2cccnc2)cc1 ZINC000097227712 563970578 /nfs/dbraw/zinc/97/05/78/563970578.db2.gz XQRUDZUHDRNLIE-JOCHJYFZSA-N 1 1 344.462 3.956 50 0 EHAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232106 563970748 /nfs/dbraw/zinc/97/07/48/563970748.db2.gz IYZUBVFXRPFSIQ-GLJUWKHASA-N 1 1 327.428 3.673 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000004808404 563974891 /nfs/dbraw/zinc/97/48/91/563974891.db2.gz OLWUUVWJTYTMDB-OAHLLOKOSA-N 1 1 328.456 3.943 50 0 EHAAMO c1ccc(CC[N@H+]2CCC[C@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000091486116 563975416 /nfs/dbraw/zinc/97/54/16/563975416.db2.gz BMVDXCNOCGNPGY-GOSISDBHSA-N 1 1 336.483 3.721 50 0 EHAAMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)cs1 ZINC000091663897 563975646 /nfs/dbraw/zinc/97/56/46/563975646.db2.gz JVTCYPCKGQXCHD-LJQANCHMSA-N 1 1 347.528 3.599 50 0 EHAAMO CC(=O)c1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cs1 ZINC000091691318 563975674 /nfs/dbraw/zinc/97/56/74/563975674.db2.gz NHKGAGNNGRVFCH-FUHWJXTLSA-N 1 1 332.513 3.647 50 0 EHAAMO c1ccc2c(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)ccnc2c1 ZINC000095357733 563976715 /nfs/dbraw/zinc/97/67/15/563976715.db2.gz FAUYWILNCWBOML-AZUAARDMSA-N 1 1 335.495 3.931 50 0 EHAAMO C[NH+](C)[C@H](C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000095375459 563976878 /nfs/dbraw/zinc/97/68/78/563976878.db2.gz LFBIHDZQYZCTGO-INIZCTEOSA-N 1 1 338.785 3.537 50 0 EHAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1ccc2oc(C)cc2c1 ZINC000096153472 563979733 /nfs/dbraw/zinc/97/97/33/563979733.db2.gz XOLRKKJUQOKCOS-UHFFFAOYSA-N 1 1 326.400 3.712 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3CC[C@@](O)(c4ccccc4)C3)cn2)c1 ZINC000097173025 563981329 /nfs/dbraw/zinc/98/13/29/563981329.db2.gz PIYHTYWGSWMEAR-QFIPXVFZSA-N 1 1 345.446 3.546 50 0 EHAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4ccncn4)C3)c(C)c2c1 ZINC000097475579 563981595 /nfs/dbraw/zinc/98/15/95/563981595.db2.gz YORXTDFBTRVSDO-HNNXBMFYSA-N 1 1 336.439 3.655 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@@H+]3CCc4[nH]nc(C5CC5)c4C3)cn2)c1 ZINC000097785652 563981907 /nfs/dbraw/zinc/98/19/07/563981907.db2.gz AYJGPJLERYFYDJ-UHFFFAOYSA-N 1 1 345.450 3.611 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3CCc4[nH]nc(C5CC5)c4C3)cn2)c1 ZINC000097785652 563981908 /nfs/dbraw/zinc/98/19/08/563981908.db2.gz AYJGPJLERYFYDJ-UHFFFAOYSA-N 1 1 345.450 3.611 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@@H+]3CCc4n[nH]c(C5CC5)c4C3)cn2)c1 ZINC000097785652 563981909 /nfs/dbraw/zinc/98/19/09/563981909.db2.gz AYJGPJLERYFYDJ-UHFFFAOYSA-N 1 1 345.450 3.611 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3CCc4n[nH]c(C5CC5)c4C3)cn2)c1 ZINC000097785652 563981910 /nfs/dbraw/zinc/98/19/10/563981910.db2.gz AYJGPJLERYFYDJ-UHFFFAOYSA-N 1 1 345.450 3.611 50 0 EHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004994702 563993715 /nfs/dbraw/zinc/99/37/15/563993715.db2.gz OIISDMWJBOIPFE-CQSZACIVSA-N 1 1 333.844 3.818 50 0 EHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004994702 563993716 /nfs/dbraw/zinc/99/37/16/563993716.db2.gz OIISDMWJBOIPFE-CQSZACIVSA-N 1 1 333.844 3.818 50 0 EHAAMO Cc1cccc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)o2)c1 ZINC000005025355 563993850 /nfs/dbraw/zinc/99/38/50/563993850.db2.gz NJJQWNUZCLNBDD-INIZCTEOSA-N 1 1 325.437 3.913 50 0 EHAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000248150558 563995360 /nfs/dbraw/zinc/99/53/60/563995360.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 1 1 334.504 3.645 50 0 EHAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000248150558 563995361 /nfs/dbraw/zinc/99/53/61/563995361.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 1 1 334.504 3.645 50 0 EHAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C(C)(C)O)cs2)cc1 ZINC000136251411 564002458 /nfs/dbraw/zinc/00/24/58/564002458.db2.gz MXWVWZFUMHLFOA-QGZVFWFLSA-N 1 1 346.496 3.944 50 0 EHAAMO CC(=O)Nc1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272708337 564007467 /nfs/dbraw/zinc/00/74/67/564007467.db2.gz BZZQQXKWJHKOQG-APWZRJJASA-N 1 1 337.467 3.968 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000106843547 564026661 /nfs/dbraw/zinc/02/66/61/564026661.db2.gz JKMSTIKTYDITDR-KGLIPLIRSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000106843547 564026662 /nfs/dbraw/zinc/02/66/62/564026662.db2.gz JKMSTIKTYDITDR-KGLIPLIRSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000106843551 564026664 /nfs/dbraw/zinc/02/66/64/564026664.db2.gz JKMSTIKTYDITDR-ZIAGYGMSSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000106843551 564026665 /nfs/dbraw/zinc/02/66/65/564026665.db2.gz JKMSTIKTYDITDR-ZIAGYGMSSA-N 1 1 343.456 3.529 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1 ZINC000046088563 564029528 /nfs/dbraw/zinc/02/95/28/564029528.db2.gz CVAUISPGDREIKY-OAHLLOKOSA-N 1 1 332.494 3.531 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1 ZINC000046088563 564029529 /nfs/dbraw/zinc/02/95/29/564029529.db2.gz CVAUISPGDREIKY-OAHLLOKOSA-N 1 1 332.494 3.531 50 0 EHAAMO c1ccc(COc2ncccc2C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000047745425 564029690 /nfs/dbraw/zinc/02/96/90/564029690.db2.gz SVTQVYUEJPVNMO-UHFFFAOYSA-N 1 1 348.402 3.679 50 0 EHAAMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000048324672 564030947 /nfs/dbraw/zinc/03/09/47/564030947.db2.gz VVPOMHSNSMJCJW-IEBWSBKVSA-N 1 1 330.472 3.623 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccco3)C3CCCC3)nc12 ZINC000048375248 564031670 /nfs/dbraw/zinc/03/16/70/564031670.db2.gz KCJMPLDXGXDYTP-UHFFFAOYSA-N 1 1 337.423 3.541 50 0 EHAAMO CC(C)c1ccc2cc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)[nH]c2c1 ZINC000040091464 564045065 /nfs/dbraw/zinc/04/50/65/564045065.db2.gz XZMARSGCRSTCOZ-SFHVURJKSA-N 1 1 339.439 3.917 50 0 EHAAMO C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@H](c2ccccc2)O1 ZINC000225613325 564048392 /nfs/dbraw/zinc/04/83/92/564048392.db2.gz GKVFKAUWKHRWIZ-MLGOLLRUSA-N 1 1 333.229 3.811 50 0 EHAAMO C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccsc2)C1 ZINC000083877847 564064125 /nfs/dbraw/zinc/06/41/25/564064125.db2.gz CHLHVOLLEVJOIO-OAHLLOKOSA-N 1 1 346.521 3.864 50 0 EHAAMO Cc1csc(C(C)(C)[NH2+]CC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000084268034 564067630 /nfs/dbraw/zinc/06/76/30/564067630.db2.gz FVHATDUTQOEMOQ-CYBMUJFWSA-N 1 1 349.525 3.701 50 0 EHAAMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000084398270 564068040 /nfs/dbraw/zinc/06/80/40/564068040.db2.gz BLBSXZHLCYQPAC-MRXNPFEDSA-N 1 1 328.435 3.523 50 0 EHAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000084656486 564069465 /nfs/dbraw/zinc/06/94/65/564069465.db2.gz ZIMFDRZGALDRAC-YJBOKZPZSA-N 1 1 331.529 3.619 50 0 EHAAMO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000053814319 564084098 /nfs/dbraw/zinc/08/40/98/564084098.db2.gz VMRIGXPIJFPMIP-LJQANCHMSA-N 1 1 328.481 3.828 50 0 EHAAMO COc1ccc(Cl)cc1C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000089457386 564090670 /nfs/dbraw/zinc/09/06/70/564090670.db2.gz JYTYOPVHFIZFID-AWEZNQCLSA-N 1 1 349.814 3.763 50 0 EHAAMO COc1ccc(Cl)cc1C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000089457386 564090671 /nfs/dbraw/zinc/09/06/71/564090671.db2.gz JYTYOPVHFIZFID-AWEZNQCLSA-N 1 1 349.814 3.763 50 0 EHAAMO CCc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000054220015 564090827 /nfs/dbraw/zinc/09/08/27/564090827.db2.gz ALRYOFUNXPNSHH-UHFFFAOYSA-N 1 1 348.446 3.678 50 0 EHAAMO CSc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000004748734 564093152 /nfs/dbraw/zinc/09/31/52/564093152.db2.gz YJFVNNCYAHNNJN-UHFFFAOYSA-N 1 1 341.480 3.588 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4c(cccc4Cl)c3C)[C@H]1C[C@H](O)CC2 ZINC000426420061 564093681 /nfs/dbraw/zinc/09/36/81/564093681.db2.gz JUDNNKYJKUKZPZ-XVGQJIODSA-N 1 1 348.874 3.634 50 0 EHAAMO COc1ccccc1CN(C(=O)[C@@H](C)n1cc[nH+]c1C)C1CCCC1 ZINC000426531032 564094040 /nfs/dbraw/zinc/09/40/40/564094040.db2.gz VFMNPKYNSADOEC-OAHLLOKOSA-N 1 1 341.455 3.733 50 0 EHAAMO C[N@H+]1CCC[C@H](NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000064657020 564094785 /nfs/dbraw/zinc/09/47/85/564094785.db2.gz DHHPTCWYCSUJNT-FQEVSTJZSA-N 1 1 348.490 3.791 50 0 EHAAMO CC(C)c1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1 ZINC000064735981 564095774 /nfs/dbraw/zinc/09/57/74/564095774.db2.gz GQITWLMVAXWLTC-SOLBZPMBSA-N 1 1 344.499 3.993 50 0 EHAAMO CCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000006912762 564101254 /nfs/dbraw/zinc/10/12/54/564101254.db2.gz RLZMBNBNRWGAAL-HNNXBMFYSA-N 1 1 341.499 3.882 50 0 EHAAMO Cc1ccccc1C[N@@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000006939123 564101891 /nfs/dbraw/zinc/10/18/91/564101891.db2.gz HDOFRROIMWWDHC-SFHVURJKSA-N 1 1 333.859 3.658 50 0 EHAAMO O=c1oc2ccccc2n1CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000065607962 564108242 /nfs/dbraw/zinc/10/82/42/564108242.db2.gz RDTVPBRZIIVNCC-QGZVFWFLSA-N 1 1 338.407 3.527 50 0 EHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccs1 ZINC000007420933 564108327 /nfs/dbraw/zinc/10/83/27/564108327.db2.gz BWQFYNXEWIOXLP-NSHDSACASA-N 1 1 338.860 3.869 50 0 EHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000007420933 564108328 /nfs/dbraw/zinc/10/83/28/564108328.db2.gz BWQFYNXEWIOXLP-NSHDSACASA-N 1 1 338.860 3.869 50 0 EHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cccnc2)c1 ZINC000042894642 564111325 /nfs/dbraw/zinc/11/13/25/564111325.db2.gz YMNJZISFCWRYFV-UHFFFAOYSA-N 1 1 349.438 3.772 50 0 EHAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3CCCC3)CC2)cc1 ZINC000013328290 564111604 /nfs/dbraw/zinc/11/16/04/564111604.db2.gz SIYRPYGVONLUEY-UHFFFAOYSA-N 1 1 329.488 3.580 50 0 EHAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)CC(C)C)cs1 ZINC000065962008 564122670 /nfs/dbraw/zinc/12/26/70/564122670.db2.gz XWJBLBPZGKXWAR-UHFFFAOYSA-N 1 1 343.496 3.595 50 0 EHAAMO Cc1cc([C@H](C)[NH2+]Cc2nncn2C(C)C)ccc1Br ZINC000195553773 564123757 /nfs/dbraw/zinc/12/37/57/564123757.db2.gz KXGUHUBONQPBOY-LBPRGKRZSA-N 1 1 337.265 3.781 50 0 EHAAMO O=C(Oc1ccccc1)N1CCC[N@H+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253432097 564131897 /nfs/dbraw/zinc/13/18/97/564131897.db2.gz ZUTFTZCHIRQVDA-PMACEKPBSA-N 1 1 336.435 3.749 50 0 EHAAMO CC(C)Cc1nnc([C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC000078921896 564137388 /nfs/dbraw/zinc/13/73/88/564137388.db2.gz VZGFLBWYELKZCD-KRWDZBQOSA-N 1 1 342.487 3.537 50 0 EHAAMO CC(=O)Nc1ccc(-c2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000276891016 564137627 /nfs/dbraw/zinc/13/76/27/564137627.db2.gz HOZMEAUECVRNCF-XQQFMLRXSA-N 1 1 328.416 3.629 50 0 EHAAMO CSc1ccc(C(=O)NCc2cc(F)ccc2-n2cc[nH+]c2C)o1 ZINC000095395828 564139464 /nfs/dbraw/zinc/13/94/64/564139464.db2.gz NLXGVBRMGVOROV-UHFFFAOYSA-N 1 1 345.399 3.565 50 0 EHAAMO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC000096403960 564147204 /nfs/dbraw/zinc/14/72/04/564147204.db2.gz CXAOXQOVIHHGPJ-LBPRGKRZSA-N 1 1 339.420 3.785 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1 ZINC000003363671 564157702 /nfs/dbraw/zinc/15/77/02/564157702.db2.gz MCIRZTOWDAVCSH-GOSISDBHSA-N 1 1 339.439 3.503 50 0 EHAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@@H](c4ccncn4)C3)CC2)cc1 ZINC000670450082 564159404 /nfs/dbraw/zinc/15/94/04/564159404.db2.gz SMVYXGIJLHWNFZ-GOSISDBHSA-N 1 1 336.483 3.633 50 0 EHAAMO COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004028936 564160124 /nfs/dbraw/zinc/16/01/24/564160124.db2.gz ADEAJUYOXKASHF-HRPDOCRFSA-N 1 1 329.440 3.516 50 0 biogenic EHAAMO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 ZINC000039990621 564167796 /nfs/dbraw/zinc/16/77/96/564167796.db2.gz YRDAXHZYUONGBO-UHFFFAOYSA-N 1 1 341.842 3.597 50 0 EHAAMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000040007567 564167835 /nfs/dbraw/zinc/16/78/35/564167835.db2.gz XGUONCHUASDJJN-CQSZACIVSA-N 1 1 341.386 3.948 50 0 EHAAMO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000040007567 564167836 /nfs/dbraw/zinc/16/78/36/564167836.db2.gz XGUONCHUASDJJN-CQSZACIVSA-N 1 1 341.386 3.948 50 0 EHAAMO O=C(CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000040086099 564167946 /nfs/dbraw/zinc/16/79/46/564167946.db2.gz JENPBUFBOQEJCN-QFIPXVFZSA-N 1 1 345.446 3.922 50 0 EHAAMO Fc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000040086069 564167953 /nfs/dbraw/zinc/16/79/53/564167953.db2.gz QMGKRWAOJVDDIY-HXUWFJFHSA-N 1 1 337.398 3.585 50 0 EHAAMO Fc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000040086069 564167954 /nfs/dbraw/zinc/16/79/54/564167954.db2.gz QMGKRWAOJVDDIY-HXUWFJFHSA-N 1 1 337.398 3.585 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCC(c2ccccc2)=N1 ZINC000040105877 564168076 /nfs/dbraw/zinc/16/80/76/564168076.db2.gz ZSDQIIHSPDCZRH-SFHVURJKSA-N 1 1 339.464 3.522 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CCC(c2ccccc2)=N1 ZINC000040105877 564168077 /nfs/dbraw/zinc/16/80/77/564168077.db2.gz ZSDQIIHSPDCZRH-SFHVURJKSA-N 1 1 339.464 3.522 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000581806517 1035611395 /nfs/dbraw/zinc/61/13/95/1035611395.db2.gz RLIGDRLWBGRNNF-OAHLLOKOSA-N 1 1 344.434 3.837 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)CC3CCCC3)C2)n1CC1CC1 ZINC000581815485 1035621354 /nfs/dbraw/zinc/62/13/54/1035621354.db2.gz DIIPCNHLVVNIOV-LJQANCHMSA-N 1 1 343.515 3.963 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152521141 1037215983 /nfs/dbraw/zinc/21/59/83/1037215983.db2.gz AMNAARXJURWWGQ-HNNXBMFYSA-N 1 1 341.436 3.760 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152521141 1037215998 /nfs/dbraw/zinc/21/59/98/1037215998.db2.gz AMNAARXJURWWGQ-HNNXBMFYSA-N 1 1 341.436 3.760 50 0 EHAAMO CC[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000257187889 1038476199 /nfs/dbraw/zinc/47/61/99/1038476199.db2.gz CROKXPHEJOKCCE-FQEVSTJZSA-N 1 1 338.499 3.562 50 0 EHAAMO CC[NH+]1CCC([C@H]2c3nccn3CCCN2Cc2ccccc2)CC1 ZINC000257187889 1038476205 /nfs/dbraw/zinc/47/62/05/1038476205.db2.gz CROKXPHEJOKCCE-FQEVSTJZSA-N 1 1 338.499 3.562 50 0 EHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000096925958 1039538090 /nfs/dbraw/zinc/53/80/90/1039538090.db2.gz NBZUJLPONOPWSB-ADYPVZHUSA-N 1 1 340.854 3.869 50 0 EHAAMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000096925958 1039538105 /nfs/dbraw/zinc/53/81/05/1039538105.db2.gz NBZUJLPONOPWSB-ADYPVZHUSA-N 1 1 340.854 3.869 50 0 EHAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877611 1040888284 /nfs/dbraw/zinc/88/82/84/1040888284.db2.gz XPNBYKIRIXCQFW-SJLPKXTDSA-N 1 1 332.488 3.526 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000299510745 1041393316 /nfs/dbraw/zinc/39/33/16/1041393316.db2.gz NXFXEAFLZNHASQ-INIZCTEOSA-N 1 1 326.396 3.520 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)ccc1Oc1cccnc1 ZINC000119516935 1044003212 /nfs/dbraw/zinc/00/32/12/1044003212.db2.gz QJNRQZYYTGOMGO-GOSISDBHSA-N 1 1 349.438 3.611 50 0 EHAAMO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)c1nnc2n1CCCC2 ZINC000527863092 1127601767 /nfs/dbraw/zinc/60/17/67/1127601767.db2.gz IQXGXLNEZVWHIW-ZUZCIYMTSA-N 1 1 334.826 3.745 50 0 EHAAMO Clc1ccc2nc(CC[NH2+][C@H]3CCN(c4ccccc4)C3)[nH]c2c1 ZINC000825573680 1131281856 /nfs/dbraw/zinc/28/18/56/1131281856.db2.gz DZKSJEYDHXENRC-HNNXBMFYSA-N 1 1 340.858 3.627 50 0 EHAAMO O=C(NCc1ccsc1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647586 1131391398 /nfs/dbraw/zinc/39/13/98/1131391398.db2.gz PDBYCPGAEWTPRI-KRWDZBQOSA-N 1 1 332.444 3.731 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000581815389 1132372303 /nfs/dbraw/zinc/37/23/03/1132372303.db2.gz AYVDCDOWAXQZIV-GOSISDBHSA-N 1 1 340.471 3.609 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)CCc2ccccc2)n1Cc1ccccc1 ZINC000581817083 1132374833 /nfs/dbraw/zinc/37/48/33/1132374833.db2.gz NYCMNHNVKYQXCE-UHFFFAOYSA-N 1 1 347.462 3.531 50 0 EHAAMO CN(C)C(=O)c1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000585083877 1136971292 /nfs/dbraw/zinc/97/12/92/1136971292.db2.gz JALWDPVQMKLUOT-UHFFFAOYSA-N 1 1 338.451 3.562 50 0 EHAAMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000585092639 1136994137 /nfs/dbraw/zinc/99/41/37/1136994137.db2.gz HQWMEICXIJVTKT-ZLOXQWCVSA-N 1 1 349.422 3.898 50 0 EHAAMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000192613691 1137456165 /nfs/dbraw/zinc/45/61/65/1137456165.db2.gz WPICEEMRXJGZEB-ZDUSSCGKSA-N 1 1 334.510 3.605 50 0 EHAAMO CC/C=C(/CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1)c1ccccc1 ZINC000952862749 1137482906 /nfs/dbraw/zinc/48/29/06/1137482906.db2.gz QETZBHUXANWBJB-YBETYGMLSA-N 1 1 330.516 3.505 50 0 EHAAMO C[N@@H+](Cc1cnc(N2CCCCC2)nc1)Cc1cccc2cnccc21 ZINC000952976829 1137484583 /nfs/dbraw/zinc/48/45/83/1137484583.db2.gz HJQLHWJYUSBKTR-UHFFFAOYSA-N 1 1 347.466 3.647 50 0 EHAAMO CC(C)(C)c1ccc(OCc2nnc([C@@H]3CC34CC[NH2+]CC4)[nH]2)cc1 ZINC000952967592 1137484937 /nfs/dbraw/zinc/48/49/37/1137484937.db2.gz ZTMAWMDYAIGYIT-INIZCTEOSA-N 1 1 340.471 3.538 50 0 EHAAMO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000952967592 1137484938 /nfs/dbraw/zinc/48/49/38/1137484938.db2.gz ZTMAWMDYAIGYIT-INIZCTEOSA-N 1 1 340.471 3.538 50 0 EHAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCCN(Cc3cccnc3)CC1)=CC2 ZINC000952984693 1137485290 /nfs/dbraw/zinc/48/52/90/1137485290.db2.gz MFELHUOOYXSNIQ-PMACEKPBSA-N 1 1 325.500 3.582 50 0 EHAAMO CCCN(Cc1ccc(SC)cc1)C(=O)CCn1cc[nH+]c1CC ZINC000952985276 1137485542 /nfs/dbraw/zinc/48/55/42/1137485542.db2.gz UPUBLAHUZCNVMG-UHFFFAOYSA-N 1 1 345.512 3.996 50 0 EHAAMO COc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019360177 202005915 /nfs/dbraw/zinc/00/59/15/202005915.db2.gz BQWJCGOHAHJKNO-UHFFFAOYSA-N 1 1 330.859 3.666 50 0 EHAAMO O=C(c1cccs1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019841804 202024106 /nfs/dbraw/zinc/02/41/06/202024106.db2.gz NNHKZMVLXBJUGI-UHFFFAOYSA-N 1 1 336.460 3.859 50 0 EHAAMO CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020133458 202032486 /nfs/dbraw/zinc/03/24/86/202032486.db2.gz VYFSBPZPKOBWIM-NRFANRHFSA-N 1 1 336.479 3.771 50 0 EHAAMO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1CC1CCCCC1 ZINC000020255644 202036846 /nfs/dbraw/zinc/03/68/46/202036846.db2.gz GOFVKQIQHMNQQN-JNKLARPZSA-N 1 1 342.527 3.649 50 0 EHAAMO CCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100592 202031319 /nfs/dbraw/zinc/03/13/19/202031319.db2.gz VYGZUSIMJZVUTN-UHFFFAOYSA-N 1 1 326.843 3.607 50 0 EHAAMO O=C(c1ccc2ccccc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522547 202047777 /nfs/dbraw/zinc/04/77/77/202047777.db2.gz FTMPTWFDWYDDTJ-UHFFFAOYSA-N 1 1 330.431 3.798 50 0 EHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020781629 202055546 /nfs/dbraw/zinc/05/55/46/202055546.db2.gz SJKRNMBNNNMMAG-LJQANCHMSA-N 1 1 348.494 3.702 50 0 EHAAMO CCCc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000020911983 202058885 /nfs/dbraw/zinc/05/88/85/202058885.db2.gz NIBLNCBCHIOULF-ZDUSSCGKSA-N 1 1 326.400 3.543 50 0 EHAAMO CCCc1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000020911983 202058887 /nfs/dbraw/zinc/05/88/87/202058887.db2.gz NIBLNCBCHIOULF-ZDUSSCGKSA-N 1 1 326.400 3.543 50 0 EHAAMO CC[N@@H+]1CCc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2C1 ZINC000021294103 202064429 /nfs/dbraw/zinc/06/44/29/202064429.db2.gz WNYJMVOKXLKLKV-CYBMUJFWSA-N 1 1 329.469 3.653 50 0 EHAAMO CC[N@H+]1CCc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2C1 ZINC000021294103 202064432 /nfs/dbraw/zinc/06/44/32/202064432.db2.gz WNYJMVOKXLKLKV-CYBMUJFWSA-N 1 1 329.469 3.653 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)[C@H]3CC=CCC3)n2)C1 ZINC000022293423 202083633 /nfs/dbraw/zinc/08/36/33/202083633.db2.gz RCMLOWANKKEURO-ZNMIVQPWSA-N 1 1 333.501 3.916 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)[C@H]3CC=CCC3)n2)C1 ZINC000022293423 202083635 /nfs/dbraw/zinc/08/36/35/202083635.db2.gz RCMLOWANKKEURO-ZNMIVQPWSA-N 1 1 333.501 3.916 50 0 EHAAMO O=C(Nc1ccc(F)cc1)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000021881777 202072921 /nfs/dbraw/zinc/07/29/21/202072921.db2.gz OZRLUPMOVOFVSG-UHFFFAOYSA-N 1 1 328.362 3.736 50 0 EHAAMO OCC[C@@H]1CN(Cc2ccc3ccccc3c2)CC[N@H+]1C1CCCC1 ZINC000023359202 202102946 /nfs/dbraw/zinc/10/29/46/202102946.db2.gz IEAFLVFADOKGFP-JOCHJYFZSA-N 1 1 338.495 3.651 50 0 EHAAMO COc1cc(F)ccc1C[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000023367122 202103353 /nfs/dbraw/zinc/10/33/53/202103353.db2.gz JBPXGAMVHXZKKV-UHFFFAOYSA-N 1 1 337.398 3.783 50 0 EHAAMO COc1cc(F)ccc1C[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000023367122 202103355 /nfs/dbraw/zinc/10/33/55/202103355.db2.gz JBPXGAMVHXZKKV-UHFFFAOYSA-N 1 1 337.398 3.783 50 0 EHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000029719034 202190543 /nfs/dbraw/zinc/19/05/43/202190543.db2.gz VWMIKQHKWFIJMN-LJQANCHMSA-N 1 1 349.409 3.977 50 0 EHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000029719034 202190546 /nfs/dbraw/zinc/19/05/46/202190546.db2.gz VWMIKQHKWFIJMN-LJQANCHMSA-N 1 1 349.409 3.977 50 0 EHAAMO C[N@@H+]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H](c2ccccc2)C1 ZINC000030029214 202193338 /nfs/dbraw/zinc/19/33/38/202193338.db2.gz DPRKJRKSPPEKOZ-NRFANRHFSA-N 1 1 347.462 3.616 50 0 EHAAMO C[N@H+]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H](c2ccccc2)C1 ZINC000030029214 202193339 /nfs/dbraw/zinc/19/33/39/202193339.db2.gz DPRKJRKSPPEKOZ-NRFANRHFSA-N 1 1 347.462 3.616 50 0 EHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3cccc(F)c3)c2)C1 ZINC000034670309 202275313 /nfs/dbraw/zinc/27/53/13/202275313.db2.gz BYSCMOKVXMUIQP-QGZVFWFLSA-N 1 1 342.414 3.663 50 0 EHAAMO Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000069848641 202295595 /nfs/dbraw/zinc/29/55/95/202295595.db2.gz HHIMYXMGFFGPBR-CZUORRHYSA-N 1 1 344.459 3.579 50 0 EHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099510 202314437 /nfs/dbraw/zinc/31/44/37/202314437.db2.gz RWDYBLRWEVYOQO-SFHVURJKSA-N 1 1 337.460 3.675 50 0 EHAAMO Cc1ccccc1C[N@@H+](CC(C)C)C[C@H](O)COCc1ccco1 ZINC000036099820 202314450 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ZINC000073260274 563995133 /nfs/dbraw/zinc/99/51/33/563995133.db2.gz HKNCPYSKAWUQMN-MJGOQNOKSA-N 1 1 340.492 3.824 50 0 EHAAMO c1cc2c(cccc2C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)[nH]1 ZINC000179781626 564003140 /nfs/dbraw/zinc/00/31/40/564003140.db2.gz BTNMRJAZICHYHX-MRXNPFEDSA-N 1 1 331.423 3.590 50 0 EHAAMO Cc1ccccc1-n1nnnc1C1([NH+](C)C)CCC(C(C)(C)C)CC1 ZINC000005509759 564004830 /nfs/dbraw/zinc/00/48/30/564004830.db2.gz ZKOIECWOPUYJRO-UHFFFAOYSA-N 1 1 341.503 3.964 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000062580675 564006488 /nfs/dbraw/zinc/00/64/88/564006488.db2.gz BMCHPPYMWVMZIL-JTDSTZFVSA-N 1 1 330.472 3.622 50 0 EHAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2cnc(C)s2)cc1)C1CC1 ZINC000078726031 564013032 /nfs/dbraw/zinc/01/30/32/564013032.db2.gz JDQJFGFUNBXONT-UHFFFAOYSA-N 1 1 343.496 3.708 50 0 EHAAMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000189166495 564014708 /nfs/dbraw/zinc/01/47/08/564014708.db2.gz WCAYDQBKFYSAGU-KKSFZXQISA-N 1 1 325.836 3.689 50 0 EHAAMO FC(F)(F)c1cc(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000189826730 564016534 /nfs/dbraw/zinc/01/65/34/564016534.db2.gz SOAWPGAMCLBSDC-UHFFFAOYSA-N 1 1 344.768 3.787 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=S)NC2CCCCC2)C1 ZINC000107340058 564026873 /nfs/dbraw/zinc/02/68/73/564026873.db2.gz ZIMFDRZGALDRAC-CRAIPNDOSA-N 1 1 331.529 3.619 50 0 EHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C)nc3ccccc32)c1 ZINC000048287999 564030536 /nfs/dbraw/zinc/03/05/36/564030536.db2.gz KJPWJPRDEDFSOW-UHFFFAOYSA-N 1 1 347.462 3.925 50 0 EHAAMO Cc1noc(C)c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000048616703 564032024 /nfs/dbraw/zinc/03/20/24/564032024.db2.gz LJCXSSKLROBZQM-UHFFFAOYSA-N 1 1 339.361 3.632 50 0 EHAAMO OCC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000000819513 564035327 /nfs/dbraw/zinc/03/53/27/564035327.db2.gz MWADOJQMIHBBTD-UHFFFAOYSA-N 1 1 341.842 3.725 50 0 EHAAMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1OC ZINC000025363399 564037245 /nfs/dbraw/zinc/03/72/45/564037245.db2.gz 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/nfs/dbraw/zinc/08/34/87/564083487.db2.gz SDYYXTSLQOHWQF-UHFFFAOYSA-N 1 1 331.362 3.901 50 0 EHAAMO Fc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCO3)C2CC2)c(F)c1 ZINC000063994677 564083488 /nfs/dbraw/zinc/08/34/88/564083488.db2.gz SDYYXTSLQOHWQF-UHFFFAOYSA-N 1 1 331.362 3.901 50 0 EHAAMO CC[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1SC)c1ccccc1 ZINC000241515545 564088372 /nfs/dbraw/zinc/08/83/72/564088372.db2.gz OGFANUUYNQTQGY-BPQIPLTHSA-N 1 1 334.529 3.512 50 0 EHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]2CCCO2)c1 ZINC000054011985 564088871 /nfs/dbraw/zinc/08/88/71/564088871.db2.gz RONABJPOBMKQTP-QGZVFWFLSA-N 1 1 327.428 3.562 50 0 EHAAMO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N3CCCCCC3)CC2)c1 ZINC000089420135 564090477 /nfs/dbraw/zinc/09/04/77/564090477.db2.gz MRNUGZGIIZYJFT-KRWDZBQOSA-N 1 1 342.483 3.575 50 0 EHAAMO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)N3CCCCCC3)CC2)c1 ZINC000089420135 564090478 /nfs/dbraw/zinc/09/04/78/564090478.db2.gz MRNUGZGIIZYJFT-KRWDZBQOSA-N 1 1 342.483 3.575 50 0 EHAAMO CC[NH+]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000064666368 564094953 /nfs/dbraw/zinc/09/49/53/564094953.db2.gz OGKXQLKXNMBONM-UHFFFAOYSA-N 1 1 348.490 3.745 50 0 EHAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCc2ccco2)s1 ZINC000036100942 564096108 /nfs/dbraw/zinc/09/61/08/564096108.db2.gz AHGRWBOZFIKJPG-INIZCTEOSA-N 1 1 337.485 3.685 50 0 EHAAMO CCn1cc(CCCC(=O)NC[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000006782775 564097642 /nfs/dbraw/zinc/09/76/42/564097642.db2.gz LEOMXSQOEKMTCD-GOSISDBHSA-N 1 1 341.499 3.584 50 0 EHAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3F)o2)N1 ZINC000007128303 564105218 /nfs/dbraw/zinc/10/52/18/564105218.db2.gz PQBPQGZERQQTDU-QGZVFWFLSA-N 1 1 347.353 3.532 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2coc(C3CCCC3)n2)C1 ZINC000170083061 564105399 /nfs/dbraw/zinc/10/53/99/564105399.db2.gz VVXMNMLVASSBMQ-OAHLLOKOSA-N 1 1 342.443 3.568 50 0 EHAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487772 564106347 /nfs/dbraw/zinc/10/63/47/564106347.db2.gz 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SQDVGCZMAIJVAC-AABGKKOBSA-N 1 1 325.431 3.527 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(-c2ncco2)c1 ZINC000253370664 564130386 /nfs/dbraw/zinc/13/03/86/564130386.db2.gz ULGNNHDZKHFOFQ-LZQZEXGQSA-N 1 1 341.455 3.643 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055255259 564134698 /nfs/dbraw/zinc/13/46/98/564134698.db2.gz KLFVGVZUBHBAJW-OAHLLOKOSA-N 1 1 338.430 3.982 50 0 EHAAMO O=C(CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000079354313 564138137 /nfs/dbraw/zinc/13/81/37/564138137.db2.gz QBNJXXSBQIQISL-UONOGXRCSA-N 1 1 343.254 3.575 50 0 EHAAMO C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC2(CCOCC2)O1 ZINC000279152023 564139204 /nfs/dbraw/zinc/13/92/04/564139204.db2.gz BCKAVNZUKDMUPY-ZDUSSCGKSA-N 1 1 332.831 3.663 50 0 EHAAMO CC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3OCCc4ccccc43)c2C1 ZINC000095464969 564140948 /nfs/dbraw/zinc/14/09/48/564140948.db2.gz ZULJACQBRDVHSS-FQEVSTJZSA-N 1 1 336.435 3.665 50 0 EHAAMO CC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3OCCc4ccccc43)c2C1 ZINC000095464969 564140949 /nfs/dbraw/zinc/14/09/49/564140949.db2.gz ZULJACQBRDVHSS-FQEVSTJZSA-N 1 1 336.435 3.665 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000095474867 564141371 /nfs/dbraw/zinc/14/13/71/564141371.db2.gz JSKQQVVKXIHVIZ-GOSISDBHSA-N 1 1 341.499 3.755 50 0 EHAAMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCCn4ccnc4)CC3)c2c1 ZINC000095987319 564143971 /nfs/dbraw/zinc/14/39/71/564143971.db2.gz IROCSCVMKZRWAI-UHFFFAOYSA-N 1 1 336.439 3.552 50 0 EHAAMO Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(OCC[NH+](C)C)c1 ZINC000097237026 564149588 /nfs/dbraw/zinc/14/95/88/564149588.db2.gz ZZFQOFIOTMIQIE-UHFFFAOYSA-N 1 1 348.830 3.547 50 0 EHAAMO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057432085 564154302 /nfs/dbraw/zinc/15/43/02/564154302.db2.gz SRCBQPGZXAXEHF-AEFFLSMTSA-N 1 1 326.465 3.905 50 0 EHAAMO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000057854156 564156137 /nfs/dbraw/zinc/15/61/37/564156137.db2.gz 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CSc1ccc(C[N@H+](C)[C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000039987534 564167775 /nfs/dbraw/zinc/16/77/75/564167775.db2.gz RDCGIIGWPGWIPF-SFHVURJKSA-N 1 1 328.481 3.670 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000039987534 564167776 /nfs/dbraw/zinc/16/77/76/564167776.db2.gz RDCGIIGWPGWIPF-SFHVURJKSA-N 1 1 328.481 3.670 50 0 EHAAMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)C1 ZINC000069139117 564168476 /nfs/dbraw/zinc/16/84/76/564168476.db2.gz GYHUONPEMSQFAC-OAHLLOKOSA-N 1 1 339.483 3.508 50 0 EHAAMO O=C(c1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2)C1 ZINC000244811446 564168508 /nfs/dbraw/zinc/16/85/08/564168508.db2.gz SCUUTEDYFUSFSY-CTNGQTDRSA-N 1 1 334.463 3.860 50 0 EHAAMO CC[N@H+](Cc1cn2c(n1)nc(C)cc2C)Cc1ccc(OC)c(F)c1 ZINC000009219477 564171434 /nfs/dbraw/zinc/17/14/34/564171434.db2.gz JJEYDOSJYQZWLR-UHFFFAOYSA-N 1 1 342.418 3.516 50 0 EHAAMO CC[N@@H+](Cc1cn2c(n1)nc(C)cc2C)Cc1ccc(OC)c(F)c1 ZINC000009219477 564171435 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CC[C@H](C(=O)N(C)Cc1ccc(OC)c2ccccc12)[N@@H+](C)CC ZINC000822541571 1131002069 /nfs/dbraw/zinc/00/20/69/1131002069.db2.gz GPZOEAYEFGBBLL-GOSISDBHSA-N 1 1 328.456 3.537 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000824629483 1131214669 /nfs/dbraw/zinc/21/46/69/1131214669.db2.gz ZPOFWMWSUBCBQK-IBGZPJMESA-N 1 1 337.398 3.967 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000824629483 1131214673 /nfs/dbraw/zinc/21/46/73/1131214673.db2.gz ZPOFWMWSUBCBQK-IBGZPJMESA-N 1 1 337.398 3.967 50 0 EHAAMO Cc1cnc(C[C@@H]2CC[N@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546638 1131572506 /nfs/dbraw/zinc/57/25/06/1131572506.db2.gz RYGDNQQALKNSPU-FQEVSTJZSA-N 1 1 348.494 3.643 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)CC3CCCC3)C2)n1CC1CC1 ZINC000581805923 1132367600 /nfs/dbraw/zinc/36/76/00/1132367600.db2.gz OTIMGXGEVXODFQ-GOSISDBHSA-N 1 1 329.488 3.573 50 0 EHAAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ncc(F)cc3F)c2C1 ZINC000192182424 1137028554 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COc1ncc(C[NH+]2CCC(Sc3ccccc3C)CC2)cn1 ZINC000952981015 1137484241 /nfs/dbraw/zinc/48/42/41/1137484241.db2.gz JWFKZFNAYZQBPJ-UHFFFAOYSA-N 1 1 329.469 3.550 50 0 EHAAMO Cc1ccc2ncccc2c1C[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000097742825 219052187 /nfs/dbraw/zinc/05/21/87/219052187.db2.gz UEJPQTLDCYIICV-UHFFFAOYSA-N 1 1 346.478 3.646 50 0 EHAAMO C[C@H](CO)C[N@@H+](Cc1ccccc1)Cc1ccccc1Cn1cccn1 ZINC000055053646 214268245 /nfs/dbraw/zinc/26/82/45/214268245.db2.gz CWRIIBHWHFYTQE-IBGZPJMESA-N 1 1 349.478 3.562 50 0 EHAAMO CC(=O)OCc1c(C)cc(C)c(C[N@@H+](C)[C@H](C)c2ccon2)c1C ZINC000055119568 214276971 /nfs/dbraw/zinc/27/69/71/214276971.db2.gz AYBOXBVCUYOXOG-OAHLLOKOSA-N 1 1 330.428 3.856 50 0 EHAAMO CC(=O)OCc1c(C)cc(C)c(C[N@H+](C)[C@H](C)c2ccon2)c1C ZINC000055119568 214276973 /nfs/dbraw/zinc/27/69/73/214276973.db2.gz AYBOXBVCUYOXOG-OAHLLOKOSA-N 1 1 330.428 3.856 50 0 EHAAMO CCc1ncc(C[NH2+]Cc2cccnc2Oc2ccccc2C)cn1 ZINC000055133805 214278344 /nfs/dbraw/zinc/27/83/44/214278344.db2.gz XMBHAVDQRRNIRQ-UHFFFAOYSA-N 1 1 334.423 3.825 50 0 EHAAMO O=C(Nc1cccc(C[NH2+]Cc2ccccc2F)c1)c1ccncc1 ZINC000055171848 214283804 /nfs/dbraw/zinc/28/38/04/214283804.db2.gz SFJJYDUMBPIXLG-UHFFFAOYSA-N 1 1 335.382 3.763 50 0 EHAAMO Cc1ccsc1C[N@@H+](CCO)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055211311 214288204 /nfs/dbraw/zinc/28/82/04/214288204.db2.gz BUCBBQKPFODPQN-UHFFFAOYSA-N 1 1 345.443 3.580 50 0 EHAAMO CCn1cc(C[N@H+](Cc2cccn2-c2ccccn2)CC(C)C)cn1 ZINC000055327740 214307893 /nfs/dbraw/zinc/30/78/93/214307893.db2.gz QUUZKMMEMOVXMW-UHFFFAOYSA-N 1 1 337.471 3.747 50 0 EHAAMO Brc1ccccc1[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000056894825 214394037 /nfs/dbraw/zinc/39/40/37/214394037.db2.gz IWMJPXANLAWNLJ-QGZVFWFLSA-N 1 1 331.257 3.596 50 0 EHAAMO Brc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000056894825 214394039 /nfs/dbraw/zinc/39/40/39/214394039.db2.gz IWMJPXANLAWNLJ-QGZVFWFLSA-N 1 1 331.257 3.596 50 0 EHAAMO Brc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000056894825 214394042 /nfs/dbraw/zinc/39/40/42/214394042.db2.gz IWMJPXANLAWNLJ-QGZVFWFLSA-N 1 1 331.257 3.596 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000003911487 210092230 /nfs/dbraw/zinc/09/22/30/210092230.db2.gz QERCMFSDTLFCBE-CQSZACIVSA-N 1 1 331.485 3.714 50 0 EHAAMO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccccc2[nH]c1=S ZINC000003911487 210092232 /nfs/dbraw/zinc/09/22/32/210092232.db2.gz QERCMFSDTLFCBE-CQSZACIVSA-N 1 1 331.485 3.714 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2ccccc2[nH]c1=S ZINC000003911487 210092236 /nfs/dbraw/zinc/09/22/36/210092236.db2.gz QERCMFSDTLFCBE-CQSZACIVSA-N 1 1 331.485 3.714 50 0 EHAAMO CC(C)(C)c1ccc(=O)n(C[NH2+][C@H](c2ccccc2)C(C)(C)C)n1 ZINC000066792556 215079937 /nfs/dbraw/zinc/07/99/37/215079937.db2.gz QTHITDNJUWNHAH-GOSISDBHSA-N 1 1 327.472 3.875 50 0 EHAAMO CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000067641287 215170489 /nfs/dbraw/zinc/17/04/89/215170489.db2.gz OZKYWZONHYPBCV-MRXNPFEDSA-N 1 1 326.440 3.685 50 0 EHAAMO CC[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851525 215231014 /nfs/dbraw/zinc/23/10/14/215231014.db2.gz IFGACTQOKCNFBY-QGZVFWFLSA-N 1 1 347.842 3.678 50 0 EHAAMO Cc1cc(C)n(CC2(C[NH2+]Cc3nc4ccc(C)c(C)c4[nH]3)CC2)n1 ZINC000067872463 215237294 /nfs/dbraw/zinc/23/72/94/215237294.db2.gz DVECISVYWGQFGM-UHFFFAOYSA-N 1 1 337.471 3.563 50 0 EHAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccco2)C1)Nc1ccccc1Cl ZINC000067908685 215246511 /nfs/dbraw/zinc/24/65/11/215246511.db2.gz OPKUCQVBDJHOEU-CYBMUJFWSA-N 1 1 333.819 3.577 50 0 EHAAMO CC[N@@H+](CCCc1ccccc1)CC(=O)Nc1c(F)cccc1F ZINC000040009517 213250637 /nfs/dbraw/zinc/25/06/37/213250637.db2.gz ZZQJCXFPKQACBM-UHFFFAOYSA-N 1 1 332.394 3.858 50 0 EHAAMO CC[C@H](C)[N@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1 ZINC000036102239 213066936 /nfs/dbraw/zinc/06/69/36/213066936.db2.gz NQQPMDQTSMJESX-HKUYNNGSSA-N 1 1 343.467 3.736 50 0 EHAAMO c1ccc(-c2nc(SC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n[nH]2)cc1 ZINC000036056951 213059584 /nfs/dbraw/zinc/05/95/84/213059584.db2.gz LVRKTHCBVHLACO-JKSUJKDBSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000036056951 213059587 /nfs/dbraw/zinc/05/95/87/213059587.db2.gz LVRKTHCBVHLACO-JKSUJKDBSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1 ZINC000036056951 213059590 /nfs/dbraw/zinc/05/95/90/213059590.db2.gz LVRKTHCBVHLACO-JKSUJKDBSA-N 1 1 328.485 3.828 50 0 EHAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1CCc3ccccc3C1)c(C)n2C ZINC000035937999 213051756 /nfs/dbraw/zinc/05/17/56/213051756.db2.gz PZNGWUWKLSKFGY-UHFFFAOYSA-N 1 1 348.446 3.736 50 0 EHAAMO COc1ccc2c(c1)c(C(=O)C[N@H+]1CCc3ccccc3C1)c(C)n2C ZINC000035937999 213051759 /nfs/dbraw/zinc/05/17/59/213051759.db2.gz PZNGWUWKLSKFGY-UHFFFAOYSA-N 1 1 348.446 3.736 50 0 EHAAMO CC[C@](C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622223 213043208 /nfs/dbraw/zinc/04/32/08/213043208.db2.gz HILHWWJYIYGOII-SFHVURJKSA-N 1 1 341.846 3.731 50 0 EHAAMO CCc1ncc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000072143234 216029315 /nfs/dbraw/zinc/02/93/15/216029315.db2.gz JKUZHDPHECVFQO-SFHVURJKSA-N 1 1 325.456 3.732 50 0 EHAAMO c1c(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)onc1-c1ccccc1 ZINC000072167388 216057412 /nfs/dbraw/zinc/05/74/12/216057412.db2.gz QUWVEVLAHHFOQB-IBGZPJMESA-N 1 1 349.434 3.918 50 0 EHAAMO Cc1csc([C@@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000072273877 216096862 /nfs/dbraw/zinc/09/68/62/216096862.db2.gz NWLZONJYBCQWIZ-KRWDZBQOSA-N 1 1 343.496 3.637 50 0 EHAAMO Cc1csc([C@@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccccc2)n1 ZINC000072273877 216096866 /nfs/dbraw/zinc/09/68/66/216096866.db2.gz NWLZONJYBCQWIZ-KRWDZBQOSA-N 1 1 343.496 3.637 50 0 EHAAMO Cc1cc(C)cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000072292834 216128966 /nfs/dbraw/zinc/12/89/66/216128966.db2.gz CNVFHMTVUSVILD-HXUWFJFHSA-N 1 1 338.451 3.533 50 0 EHAAMO Cc1cc(C)cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000072292834 216128970 /nfs/dbraw/zinc/12/89/70/216128970.db2.gz CNVFHMTVUSVILD-HXUWFJFHSA-N 1 1 338.451 3.533 50 0 EHAAMO C[NH+](C)CC(=O)Nc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129495872 223061853 /nfs/dbraw/zinc/06/18/53/223061853.db2.gz SKNHPCBTNSBFNJ-DOMZBBRYSA-N 1 1 343.393 3.720 50 0 EHAAMO CCOc1cc(C)c(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1C(C)C ZINC000072453578 216241030 /nfs/dbraw/zinc/24/10/30/216241030.db2.gz QYUOCGFFBRAXLL-FQEVSTJZSA-N 1 1 346.471 3.544 50 0 EHAAMO O=C(c1cc[nH]c1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072479556 216258524 /nfs/dbraw/zinc/25/85/24/216258524.db2.gz SZCZHLHOFQQPPV-OAQYLSRUSA-N 1 1 337.467 3.533 50 0 EHAAMO Cc1ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc1C ZINC000023373450 212372327 /nfs/dbraw/zinc/37/23/27/212372327.db2.gz RQPNTAAAEBXMNY-NRFANRHFSA-N 1 1 330.516 3.505 50 0 EHAAMO CCc1cccc2c(C(=O)[C@@H]([NH2+]CCOC)c3ccccc3)c[nH]c21 ZINC000023425441 212376623 /nfs/dbraw/zinc/37/66/23/212376623.db2.gz MJHGGGOACFSZAZ-FQEVSTJZSA-N 1 1 336.435 3.890 50 0 EHAAMO CCCSc1ncc(C[N@@H+]2CCc3[nH]nc(C4CCC4)c3C2)cn1 ZINC000023145963 212356076 /nfs/dbraw/zinc/35/60/76/212356076.db2.gz QVISNRCAZSIJES-UHFFFAOYSA-N 1 1 343.500 3.528 50 0 EHAAMO CCCSc1ncc(C[N@H+]2CCc3[nH]nc(C4CCC4)c3C2)cn1 ZINC000023145963 212356079 /nfs/dbraw/zinc/35/60/79/212356079.db2.gz QVISNRCAZSIJES-UHFFFAOYSA-N 1 1 343.500 3.528 50 0 EHAAMO CCCSc1ncc(C[N@@H+]2CCc3n[nH]c(C4CCC4)c3C2)cn1 ZINC000023145963 212356083 /nfs/dbraw/zinc/35/60/83/212356083.db2.gz QVISNRCAZSIJES-UHFFFAOYSA-N 1 1 343.500 3.528 50 0 EHAAMO CCCSc1ncc(C[N@H+]2CCc3n[nH]c(C4CCC4)c3C2)cn1 ZINC000023145963 212356086 /nfs/dbraw/zinc/35/60/86/212356086.db2.gz QVISNRCAZSIJES-UHFFFAOYSA-N 1 1 343.500 3.528 50 0 EHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)[C@H]3CC=CCC3)n2)C1 ZINC000022293421 212288414 /nfs/dbraw/zinc/28/84/14/212288414.db2.gz RCMLOWANKKEURO-KFWWJZLASA-N 1 1 333.501 3.916 50 0 EHAAMO CC[N@@H+](CCSc1ccccc1)Cc1cnn2c1nc(C)cc2C ZINC000215446036 241125835 /nfs/dbraw/zinc/12/58/35/241125835.db2.gz PZQAVHDUUYBGFR-UHFFFAOYSA-N 1 1 340.496 3.960 50 0 EHAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215489417 241129534 /nfs/dbraw/zinc/12/95/34/241129534.db2.gz BLGPUAVQXXPTAN-OAQYLSRUSA-N 1 1 337.467 3.618 50 0 EHAAMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(OCCCCN2CCOCC2)c1 ZINC000218968335 241354815 /nfs/dbraw/zinc/35/48/15/241354815.db2.gz GNBLCUIJTPBFBN-RTBURBONSA-N 1 1 346.515 3.551 50 0 EHAAMO Cc1ccc(C)c(NC(=O)NC[C@H]2C[N@H+](C)C[C@H]2c2cccs2)c1 ZINC000230134449 242237429 /nfs/dbraw/zinc/23/74/29/242237429.db2.gz HQXXJXUBJQJMPH-JKSUJKDBSA-N 1 1 343.496 3.832 50 0 EHAAMO Clc1ccccc1-c1n[nH]c2c1C[N@H+](C1CCSCC1)CC2 ZINC000020999438 212197130 /nfs/dbraw/zinc/19/71/30/212197130.db2.gz RWYSKXSGNGOUEY-UHFFFAOYSA-N 1 1 333.888 3.984 50 0 EHAAMO O=C1CC[N@H+](Cc2cccs2)CCN1Cc1ccccc1Cl ZINC000020775025 212169253 /nfs/dbraw/zinc/16/92/53/212169253.db2.gz NPXORUKBCBTWOP-UHFFFAOYSA-N 1 1 334.872 3.636 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1F)[NH2+]CC2 ZINC000020506816 212141101 /nfs/dbraw/zinc/14/11/01/212141101.db2.gz IKWUIQMKXXXZTJ-LJQANCHMSA-N 1 1 333.378 3.997 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000020443269 212128556 /nfs/dbraw/zinc/12/85/56/212128556.db2.gz UZMUDPKMXJNPEM-LBPRGKRZSA-N 1 1 329.835 3.661 50 0 aggregator EHAAMO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019773648 212064878 /nfs/dbraw/zinc/06/48/78/212064878.db2.gz YBGJCGWKJQXVPK-UHFFFAOYSA-N 1 1 348.421 3.937 50 0 EHAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(F)cc1 ZINC000019366916 212023210 /nfs/dbraw/zinc/02/32/10/212023210.db2.gz NIWVZGXKGHYTQW-FQEVSTJZSA-N 1 1 342.458 3.979 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(F)cc1 ZINC000019366916 212023214 /nfs/dbraw/zinc/02/32/14/212023214.db2.gz NIWVZGXKGHYTQW-FQEVSTJZSA-N 1 1 342.458 3.979 50 0 EHAAMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000011945820 211274208 /nfs/dbraw/zinc/27/42/08/211274208.db2.gz NNSJCJBBEUGGDA-LJQANCHMSA-N 1 1 328.481 3.654 50 0 EHAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000091586682 218025883 /nfs/dbraw/zinc/02/58/83/218025883.db2.gz BCEXIMBVZMLYSN-LJQANCHMSA-N 1 1 332.447 3.792 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 ZINC000091593830 218028616 /nfs/dbraw/zinc/02/86/16/218028616.db2.gz BIYJKHXGUZDYAB-FUHWJXTLSA-N 1 1 327.497 3.548 50 0 EHAAMO c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)c2)c1 ZINC000011821512 211252729 /nfs/dbraw/zinc/25/27/29/211252729.db2.gz PIFOVFZZBITQFY-HXUWFJFHSA-N 1 1 332.451 3.949 50 0 EHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N(C)C1CCCCC1)C[C@@H](C)O2 ZINC000011783867 211248616 /nfs/dbraw/zinc/24/86/16/211248616.db2.gz LLNXANHLYDQUAP-QGZVFWFLSA-N 1 1 344.499 3.759 50 0 EHAAMO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000091645060 218038453 /nfs/dbraw/zinc/03/84/53/218038453.db2.gz UEBLMBNQUCOYDD-UHFFFAOYSA-N 1 1 348.437 3.746 50 0 EHAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000091678595 218045261 /nfs/dbraw/zinc/04/52/61/218045261.db2.gz PAMRQGHQBCBBGT-CYBMUJFWSA-N 1 1 340.398 3.869 50 0 EHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc2ccccc2n1 ZINC000010447034 211172761 /nfs/dbraw/zinc/17/27/61/211172761.db2.gz RTBCYJANWRHVDT-LJQANCHMSA-N 1 1 349.434 3.785 50 0 EHAAMO c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2)nc1 ZINC000093507519 218229497 /nfs/dbraw/zinc/22/94/97/218229497.db2.gz AGLVPLDYYMJADS-NQIIRXRSSA-N 1 1 338.451 3.662 50 0 EHAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000095356222 218289069 /nfs/dbraw/zinc/28/90/69/218289069.db2.gz GUTSYZWXZMHQSF-SFHVURJKSA-N 1 1 343.496 3.546 50 0 EHAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714045 210987046 /nfs/dbraw/zinc/98/70/46/210987046.db2.gz SSTJBMWXCJOAPU-HNNXBMFYSA-N 1 1 342.439 3.800 50 0 EHAAMO Cc1[nH+]ccn1C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000095438657 218382144 /nfs/dbraw/zinc/38/21/44/218382144.db2.gz LZFOGEUEQZSODX-CTNGQTDRSA-N 1 1 336.435 3.667 50 0 EHAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000008130889 210898402 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EHAAMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000006939128 258052728 /nfs/dbraw/zinc/05/27/28/258052728.db2.gz HDOFRROIMWWDHC-GOSISDBHSA-N 1 1 333.859 3.658 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)o1 ZINC000013593784 258056115 /nfs/dbraw/zinc/05/61/15/258056115.db2.gz WTFRSJGZJMQJSC-OAQYLSRUSA-N 1 1 343.467 3.552 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000013594221 258056150 /nfs/dbraw/zinc/05/61/50/258056150.db2.gz NRHPVURZBQQKGA-OAHLLOKOSA-N 1 1 326.465 3.898 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000013594221 258056152 /nfs/dbraw/zinc/05/61/52/258056152.db2.gz NRHPVURZBQQKGA-OAHLLOKOSA-N 1 1 326.465 3.898 50 0 EHAAMO COc1cc(C[N@H+]2Cc3cc(C)ccc3O[C@H](C)C2)cc(OC)c1O ZINC000299765557 258080901 /nfs/dbraw/zinc/08/09/01/258080901.db2.gz BSQVXYDLPHLKPA-CQSZACIVSA-N 1 1 343.423 3.501 50 0 EHAAMO COc1cc(C[N@@H+]2Cc3cc(C)ccc3O[C@H](C)C2)cc(OC)c1O ZINC000299765557 258080902 /nfs/dbraw/zinc/08/09/02/258080902.db2.gz 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COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](CCCSC)C1 ZINC000015075237 563776428 /nfs/dbraw/zinc/77/64/28/563776428.db2.gz PTWNGAATKDXXDR-CYBMUJFWSA-N 1 1 341.904 3.996 50 0 EHAAMO Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)o1 ZINC000015860127 563796613 /nfs/dbraw/zinc/79/66/13/563796613.db2.gz KBDFFSXHYASISE-IBGZPJMESA-N 1 1 336.435 3.703 50 0 EHAAMO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000268718102 563829417 /nfs/dbraw/zinc/82/94/17/563829417.db2.gz VCOYGYIEKCMJMI-NHCUHLMSSA-N 1 1 348.446 3.559 50 0 EHAAMO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cccc2cccnc21)c1ccccc1 ZINC000268718102 563829422 /nfs/dbraw/zinc/82/94/22/563829422.db2.gz VCOYGYIEKCMJMI-NHCUHLMSSA-N 1 1 348.446 3.559 50 0 EHAAMO CCc1cc2c(C[N@@H+]3CCc4sccc4C3)cc(=O)oc2cc1O ZINC000024147944 563869276 /nfs/dbraw/zinc/86/92/76/563869276.db2.gz YPWWPPXKTUMPKS-UHFFFAOYSA-N 1 1 341.432 3.681 50 0 EHAAMO CCc1cc2c(C[N@H+]3CCc4sccc4C3)cc(=O)oc2cc1O ZINC000024147944 563869279 /nfs/dbraw/zinc/86/92/79/563869279.db2.gz YPWWPPXKTUMPKS-UHFFFAOYSA-N 1 1 341.432 3.681 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000070020346 563902883 /nfs/dbraw/zinc/90/28/83/563902883.db2.gz PCANGFGTSIWPAH-HOTGVXAUSA-N 1 1 333.451 3.944 50 0 EHAAMO CSc1ccccc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029837840 563908630 /nfs/dbraw/zinc/90/86/30/563908630.db2.gz DINFBAWELKHUKV-UHFFFAOYSA-N 1 1 340.492 3.587 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000075602495 563921513 /nfs/dbraw/zinc/92/15/13/563921513.db2.gz MILLIVLFVNFBCQ-CQSZACIVSA-N 1 1 344.484 3.818 50 0 EHAAMO CC/C=C(\C)C[NH+]1CCC(n2cc(CN3CCCC3(C)C)nn2)CC1 ZINC000048115515 563930066 /nfs/dbraw/zinc/93/00/66/563930066.db2.gz QZOOGRDQLXDUSD-REZTVBANSA-N 1 1 345.535 3.646 50 0 EHAAMO Cc1ncc(C[N@@H+](C)C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000058005474 563936526 /nfs/dbraw/zinc/93/65/26/563936526.db2.gz YLOHGKZYXZXZCK-CQSZACIVSA-N 1 1 346.374 3.516 50 0 EHAAMO COc1ccc(C[N@@H+](C)CCCc2nc3ccccc3o2)cc1OC ZINC000058175582 563939110 /nfs/dbraw/zinc/93/91/10/563939110.db2.gz IFEJAKHYCMASPX-UHFFFAOYSA-N 1 1 340.423 3.910 50 0 EHAAMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000058358136 563943664 /nfs/dbraw/zinc/94/36/64/563943664.db2.gz KTOSFGZVCFHLDM-OAQYLSRUSA-N 1 1 347.462 3.769 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)N2CC(C)(C)C2(C)C)cc1 ZINC000096447165 563953392 /nfs/dbraw/zinc/95/33/92/563953392.db2.gz YXRTUQWVJQOWPO-UHFFFAOYSA-N 1 1 326.444 3.892 50 0 EHAAMO Cc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1C1CC1 ZINC000060395106 563963350 /nfs/dbraw/zinc/96/33/50/563963350.db2.gz QGPVFFOEZMDDCS-UHFFFAOYSA-N 1 1 331.504 3.632 50 0 EHAAMO Cc1ccc([C@H](C)CC[N@H+](C)Cc2nc(-c3ccccn3)no2)o1 ZINC000077439884 563969712 /nfs/dbraw/zinc/96/97/12/563969712.db2.gz OCEZLDDGQFTSKP-CYBMUJFWSA-N 1 1 326.400 3.659 50 0 EHAAMO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2nc(-c3ccccn3)no2)o1 ZINC000077439884 563969713 /nfs/dbraw/zinc/96/97/13/563969713.db2.gz OCEZLDDGQFTSKP-CYBMUJFWSA-N 1 1 326.400 3.659 50 0 EHAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4occc4c3)C2)CN1C1CC1 ZINC000077458069 563969819 /nfs/dbraw/zinc/96/98/19/563969819.db2.gz CXIDLIZKRIFZSN-NRFANRHFSA-N 1 1 338.451 3.800 50 0 EHAAMO c1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc5nsnc5c4)C3)nc2c1 ZINC000077470863 563969889 /nfs/dbraw/zinc/96/98/89/563969889.db2.gz HXRAOTITVORYNV-CQSZACIVSA-N 1 1 349.463 3.947 50 0 EHAAMO Cc1ccc2nc(C)cc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)c2c1 ZINC000077520967 563970187 /nfs/dbraw/zinc/97/01/87/563970187.db2.gz KFOGMWBFUPCYRW-INIZCTEOSA-N 1 1 337.467 3.550 50 0 EHAAMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cnc3onc(C)c3c2)cc1OC ZINC000585136820 563971935 /nfs/dbraw/zinc/97/19/35/563971935.db2.gz UGZAPVDNWCJYRY-SNVBAGLBSA-N 1 1 345.374 3.538 50 0 EHAAMO COCC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1C ZINC000091550402 563975479 /nfs/dbraw/zinc/97/54/79/563975479.db2.gz CZUNPRLYMRFVOP-FOIQADDNSA-N 1 1 347.430 3.695 50 0 EHAAMO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2F)c1 ZINC000097076358 563981268 /nfs/dbraw/zinc/98/12/68/563981268.db2.gz MZQXQCDRWYYIRA-GOSISDBHSA-N 1 1 340.402 3.953 50 0 EHAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2F)c1 ZINC000097076358 563981269 /nfs/dbraw/zinc/98/12/69/563981269.db2.gz MZQXQCDRWYYIRA-GOSISDBHSA-N 1 1 340.402 3.953 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000014171789 563983362 /nfs/dbraw/zinc/98/33/62/563983362.db2.gz JHDIEZZTLSARIQ-ZDUSSCGKSA-N 1 1 334.366 3.747 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000014171789 563983363 /nfs/dbraw/zinc/98/33/63/563983363.db2.gz JHDIEZZTLSARIQ-ZDUSSCGKSA-N 1 1 334.366 3.747 50 0 EHAAMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000248063420 563995128 /nfs/dbraw/zinc/99/51/28/563995128.db2.gz DOOQABJOCWSGCN-ZXTQRBJTSA-N 1 1 338.442 3.726 50 0 EHAAMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000248063420 563995129 /nfs/dbraw/zinc/99/51/29/563995129.db2.gz DOOQABJOCWSGCN-ZXTQRBJTSA-N 1 1 338.442 3.726 50 0 EHAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000106654630 564026540 /nfs/dbraw/zinc/02/65/40/564026540.db2.gz MCTJOVGINRSMSP-GOEBONIOSA-N 1 1 342.405 3.569 50 0 EHAAMO O=c1oc2ccccc2n1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000047996177 564029802 /nfs/dbraw/zinc/02/98/02/564029802.db2.gz APRJUXFVNQTPIK-AWEZNQCLSA-N 1 1 349.390 3.573 50 0 EHAAMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1OC ZINC000025363396 564037241 /nfs/dbraw/zinc/03/72/41/564037241.db2.gz UIKMKMULKUDQEK-NRFANRHFSA-N 1 1 334.419 3.978 50 0 EHAAMO Brc1ccccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518950 564047529 /nfs/dbraw/zinc/04/75/29/564047529.db2.gz MELIEYYARTYYMD-INIZCTEOSA-N 1 1 347.256 3.635 50 0 EHAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000241644252 564052063 /nfs/dbraw/zinc/05/20/63/564052063.db2.gz PPOCVNLBPKXWPS-CCKFTAQKSA-N 1 1 329.465 3.639 50 0 EHAAMO CC(C)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000063502067 564057684 /nfs/dbraw/zinc/05/76/84/564057684.db2.gz OIVJUHUYKBNUGU-IBGZPJMESA-N 1 1 328.481 3.562 50 0 EHAAMO Cc1ccccc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012554713 564059288 /nfs/dbraw/zinc/05/92/88/564059288.db2.gz JZLFVEHSCOXUPQ-UHFFFAOYSA-N 1 1 332.451 3.503 50 0 EHAAMO Cn1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2cccs2)n1 ZINC000120906061 564060563 /nfs/dbraw/zinc/06/05/63/564060563.db2.gz GJCDXFXDAGJVTF-UHFFFAOYSA-N 1 1 332.517 3.547 50 0 EHAAMO C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000002510843 564065638 /nfs/dbraw/zinc/06/56/38/564065638.db2.gz MOJZPKOBKCXNKG-CRAIPNDOSA-N 1 1 343.398 3.669 50 0 in-vitro EHAAMO CC(C)c1[nH+]ccn1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000185025919 564072254 /nfs/dbraw/zinc/07/22/54/564072254.db2.gz BZSWILRLXCGGRP-ZDUSSCGKSA-N 1 1 327.197 3.642 50 0 EHAAMO CC(C)=CC[N@@H+]1CCN(C/C(Cl)=C/c2ccccc2)C[C@H]1CCO ZINC000105278859 564075039 /nfs/dbraw/zinc/07/50/39/564075039.db2.gz KNIQHPQNZMHPLQ-GRTQGXPSSA-N 1 1 348.918 3.601 50 0 EHAAMO CC(C)=CC[N@H+]1CCN(C/C(Cl)=C/c2ccccc2)C[C@H]1CCO ZINC000105278859 564075040 /nfs/dbraw/zinc/07/50/40/564075040.db2.gz KNIQHPQNZMHPLQ-GRTQGXPSSA-N 1 1 348.918 3.601 50 0 EHAAMO Cc1c(C(=O)N2CCC[C@@H]2CC(C)(C)C)cnn1-c1cc[nH+]cc1 ZINC000090497201 564084498 /nfs/dbraw/zinc/08/44/98/564084498.db2.gz GOAMENVBEFYDKJ-MRXNPFEDSA-N 1 1 326.444 3.617 50 0 EHAAMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089448468 564090617 /nfs/dbraw/zinc/09/06/17/564090617.db2.gz IAUIMYPHPFSPEX-CQSZACIVSA-N 1 1 325.456 3.560 50 0 EHAAMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590914 564092611 /nfs/dbraw/zinc/09/26/11/564092611.db2.gz LLSMQVYUBWQZLE-UHFFFAOYSA-N 1 1 341.842 3.678 50 0 EHAAMO CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000006841423 564099366 /nfs/dbraw/zinc/09/93/66/564099366.db2.gz JTMOONZZZRYQNV-QGZVFWFLSA-N 1 1 342.439 3.635 50 0 EHAAMO O=C(c1ncoc1-c1ccco1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000089865511 564114351 /nfs/dbraw/zinc/11/43/51/564114351.db2.gz HJFZSDWVPQXICI-HNNXBMFYSA-N 1 1 349.390 3.559 50 0 EHAAMO CCOCC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000089986719 564116074 /nfs/dbraw/zinc/11/60/74/564116074.db2.gz CRAWPWMVTBWGGR-AWEZNQCLSA-N 1 1 347.434 3.609 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452610 564118519 /nfs/dbraw/zinc/11/85/19/564118519.db2.gz QZEZETOBLXKGHE-FZMZJTMJSA-N 1 1 335.860 3.961 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452610 564118520 /nfs/dbraw/zinc/11/85/20/564118520.db2.gz QZEZETOBLXKGHE-FZMZJTMJSA-N 1 1 335.860 3.961 50 0 EHAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452606 564118531 /nfs/dbraw/zinc/11/85/31/564118531.db2.gz QWZVPRKFQCPYDC-DOMZBBRYSA-N 1 1 344.436 3.641 50 0 EHAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452606 564118532 /nfs/dbraw/zinc/11/85/32/564118532.db2.gz QWZVPRKFQCPYDC-DOMZBBRYSA-N 1 1 344.436 3.641 50 0 EHAAMO C[N@@H+](CCN)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461627 564118719 /nfs/dbraw/zinc/11/87/19/564118719.db2.gz NDAWUPLIPPNPGL-IFDAXIGBSA-N 1 1 348.575 3.649 50 0 EHAAMO CN(CC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461627 564118720 /nfs/dbraw/zinc/11/87/20/564118720.db2.gz NDAWUPLIPPNPGL-IFDAXIGBSA-N 1 1 348.575 3.649 50 0 EHAAMO Cc1c[nH+]c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc1NC1C[C@H](C)O[C@@H](C)C1 ZINC000252486780 564119343 /nfs/dbraw/zinc/11/93/43/564119343.db2.gz NEQPYEBRXHURRH-JGFGOLAASA-N 1 1 348.491 3.521 50 0 EHAAMO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000195532179 564123624 /nfs/dbraw/zinc/12/36/24/564123624.db2.gz LBAGFOMMFLBGJA-LZQZEXGQSA-N 1 1 345.487 3.873 50 0 EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531176 564133024 /nfs/dbraw/zinc/13/30/24/564133024.db2.gz NDAWUPLIPPNPGL-YGZDAZCWSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531176 564133025 /nfs/dbraw/zinc/13/30/25/564133025.db2.gz NDAWUPLIPPNPGL-YGZDAZCWSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(SC(F)F)cc1 ZINC000095422426 564140094 /nfs/dbraw/zinc/14/00/94/564140094.db2.gz IIOZZMKXPQEWEG-ZDUSSCGKSA-N 1 1 344.471 3.763 50 0 EHAAMO C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)CCC(F)(F)F ZINC000095987227 564143998 /nfs/dbraw/zinc/14/39/98/564143998.db2.gz FRECWZMVUYPVHC-UHFFFAOYSA-N 1 1 337.769 3.928 50 0 EHAAMO Cn1nccc1CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285027682 564149469 /nfs/dbraw/zinc/14/94/69/564149469.db2.gz MUYZQCDDZIMJFF-IBGZPJMESA-N 1 1 335.455 3.580 50 0 EHAAMO Cc1nn(C)c(C)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000055449051 564149901 /nfs/dbraw/zinc/14/99/01/564149901.db2.gz MARVRUMIRMDSFY-CQSZACIVSA-N 1 1 340.471 3.664 50 0 EHAAMO O=C(c1ccc(Cl)s1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684812 564150269 /nfs/dbraw/zinc/15/02/69/564150269.db2.gz WDQCFKHBVKIETQ-OAHLLOKOSA-N 1 1 346.883 3.674 50 0 EHAAMO O=C(c1ccc(Cl)s1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684812 564150270 /nfs/dbraw/zinc/15/02/70/564150270.db2.gz WDQCFKHBVKIETQ-OAHLLOKOSA-N 1 1 346.883 3.674 50 0 EHAAMO CCc1cc2c(C[N@@H+](C)Cc3cccs3)cc(=O)oc2cc1O ZINC000057406504 564153969 /nfs/dbraw/zinc/15/39/69/564153969.db2.gz HZEXBFAKNOKEMQ-UHFFFAOYSA-N 1 1 329.421 3.755 50 0 EHAAMO Cc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057568201 564154989 /nfs/dbraw/zinc/15/49/89/564154989.db2.gz PSFAXOAJPDVFBQ-KUHUBIRLSA-N 1 1 326.415 3.805 50 0 EHAAMO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1 ZINC000008120102 564162810 /nfs/dbraw/zinc/16/28/10/564162810.db2.gz FKTACLPRKPKLSM-IBGZPJMESA-N 1 1 342.870 3.966 50 0 EHAAMO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1 ZINC000008120102 564162811 /nfs/dbraw/zinc/16/28/11/564162811.db2.gz FKTACLPRKPKLSM-IBGZPJMESA-N 1 1 342.870 3.966 50 0 EHAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714111 564166661 /nfs/dbraw/zinc/16/66/61/564166661.db2.gz BTIAOWLIJRQCHG-UHFFFAOYSA-N 1 1 330.428 3.657 50 0 EHAAMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000069435677 564169445 /nfs/dbraw/zinc/16/94/45/564169445.db2.gz OYKYQRLNLJOPLF-IBGZPJMESA-N 1 1 333.435 3.648 50 0 EHAAMO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCc1cccnc1 ZINC000071760025 564175238 /nfs/dbraw/zinc/17/52/38/564175238.db2.gz MYHWTKUJOUJUSH-HNNXBMFYSA-N 1 1 335.407 3.596 50 0 EHAAMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000246777122 564175766 /nfs/dbraw/zinc/17/57/66/564175766.db2.gz QQMPODHHCKTDKT-DGCLKSJQSA-N 1 1 332.473 3.654 50 0 EHAAMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000246777122 564175767 /nfs/dbraw/zinc/17/57/67/564175767.db2.gz QQMPODHHCKTDKT-DGCLKSJQSA-N 1 1 332.473 3.654 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000071875812 564176201 /nfs/dbraw/zinc/17/62/01/564176201.db2.gz JKMSTIKTYDITDR-KBPBESRZSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000071875812 564176202 /nfs/dbraw/zinc/17/62/02/564176202.db2.gz JKMSTIKTYDITDR-KBPBESRZSA-N 1 1 343.456 3.529 50 0 EHAAMO CCc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000019739970 1018072772 /nfs/dbraw/zinc/07/27/72/1018072772.db2.gz SPFSALNZWCQRNQ-UHFFFAOYSA-N 1 1 332.451 3.566 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000023281192 1027621490 /nfs/dbraw/zinc/62/14/90/1027621490.db2.gz DOLUUTGDNCGHCD-INIZCTEOSA-N 1 1 327.424 3.624 50 0 EHAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000081363963 1030218128 /nfs/dbraw/zinc/21/81/28/1030218128.db2.gz WJHHKWIZKQKFLU-ZDUSSCGKSA-N 1 1 334.847 3.890 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)NCc1ccccc1F ZINC000095468489 1034358601 /nfs/dbraw/zinc/35/86/01/1034358601.db2.gz BGMSLRBRGRRNDZ-JXOMPUQVSA-N 1 1 338.426 3.620 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)NCc1ccccc1F ZINC000095468489 1034358620 /nfs/dbraw/zinc/35/86/20/1034358620.db2.gz BGMSLRBRGRRNDZ-JXOMPUQVSA-N 1 1 338.426 3.620 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152521253 1037216345 /nfs/dbraw/zinc/21/63/45/1037216345.db2.gz AMNAARXJURWWGQ-OAHLLOKOSA-N 1 1 341.436 3.760 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152521253 1037216362 /nfs/dbraw/zinc/21/63/62/1037216362.db2.gz AMNAARXJURWWGQ-OAHLLOKOSA-N 1 1 341.436 3.760 50 0 EHAAMO CC(C)c1ccc([C@@H](NC(=O)c2csc(C[NH3+])n2)C(C)C)cc1 ZINC000178343766 1038370489 /nfs/dbraw/zinc/37/04/89/1038370489.db2.gz QUSPGRXQABRZMF-KRWDZBQOSA-N 1 1 331.485 3.852 50 0 EHAAMO Cc1cnc(CC[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000091701383 1124995967 /nfs/dbraw/zinc/99/59/67/1124995967.db2.gz CSWGZRGVSNUDIC-GOSISDBHSA-N 1 1 346.496 3.684 50 0 EHAAMO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccco2)C1 ZINC000012149426 1129391375 /nfs/dbraw/zinc/39/13/75/1129391375.db2.gz CHULGTXUMMQQRV-APWZRJJASA-N 1 1 342.414 3.545 50 0 EHAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCO)Cc2cccs2)cc1C ZINC000012302201 1129506765 /nfs/dbraw/zinc/50/67/65/1129506765.db2.gz GTJSYVMJCFPARO-UHFFFAOYSA-N 1 1 341.480 3.750 50 0 EHAAMO CCOc1ccccc1C[N@H+]1CC[C@H](n2c(C)cnc2C2CC2)C1 ZINC000575548850 1131572306 /nfs/dbraw/zinc/57/23/06/1131572306.db2.gz KHLPHTYMZLBJFQ-SFHVURJKSA-N 1 1 325.456 3.915 50 0 EHAAMO Cc1cnc(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575547473 1131572365 /nfs/dbraw/zinc/57/23/65/1131572365.db2.gz DTCNKPQDMZXKBD-LJQANCHMSA-N 1 1 347.466 3.561 50 0 EHAAMO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000952869974 1137483069 /nfs/dbraw/zinc/48/30/69/1137483069.db2.gz RTCXGUWAYTZPBM-OAHLLOKOSA-N 1 1 348.512 3.628 50 0 EHAAMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc(NCc2ccccc2)nc1 ZINC000952979030 1137484819 /nfs/dbraw/zinc/48/48/19/1137484819.db2.gz WPHQSDCUXRMUFP-INIZCTEOSA-N 1 1 333.439 3.677 50 0 EHAAMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnc(NCc2ccccc2)nc1 ZINC000952979030 1137484820 /nfs/dbraw/zinc/48/48/20/1137484820.db2.gz WPHQSDCUXRMUFP-INIZCTEOSA-N 1 1 333.439 3.677 50 0 EHAAMO CC(C)Cn1ccc2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000108513294 1140003100 /nfs/dbraw/zinc/00/31/00/1140003100.db2.gz MVDGSGPPHFEFFS-INIZCTEOSA-N 1 1 342.487 3.761 50 0 EHAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)N1CCCCCC1 ZINC000004744921 210267304 /nfs/dbraw/zinc/26/73/04/210267304.db2.gz BKCYIAHMYRQOMY-QGZVFWFLSA-N 1 1 334.891 3.955 50 0 EHAAMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H]2CCCC[C@H]12 ZINC000052441235 214128914 /nfs/dbraw/zinc/12/89/14/214128914.db2.gz DOCLKQMVODZZPI-XYPHTWIQSA-N 1 1 330.501 3.944 50 0 EHAAMO CC(=O)OCc1c(C)cc(C)c(C[N@@H+](C)[C@@H](C)c2ccon2)c1C ZINC000055119566 214276917 /nfs/dbraw/zinc/27/69/17/214276917.db2.gz AYBOXBVCUYOXOG-HNNXBMFYSA-N 1 1 330.428 3.856 50 0 EHAAMO CC(=O)OCc1c(C)cc(C)c(C[N@H+](C)[C@@H](C)c2ccon2)c1C ZINC000055119566 214276920 /nfs/dbraw/zinc/27/69/20/214276920.db2.gz AYBOXBVCUYOXOG-HNNXBMFYSA-N 1 1 330.428 3.856 50 0 EHAAMO Cc1ccc(OC[C@H]2CCC[N@@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000055152805 214278699 /nfs/dbraw/zinc/27/86/99/214278699.db2.gz FSMWTPIQWODORM-KRWDZBQOSA-N 1 1 326.440 3.695 50 0 EHAAMO CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288552 /nfs/dbraw/zinc/28/85/52/214288552.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 1 1 341.474 3.607 50 0 EHAAMO CCOc1cc(C[NH2+]Cc2cnc(C)cn2)ccc1O[C@@H](C)CC ZINC000055271512 214298544 /nfs/dbraw/zinc/29/85/44/214298544.db2.gz XYMPMVIBLBFBPU-HNNXBMFYSA-N 1 1 329.444 3.651 50 0 EHAAMO C[N@@H+](CCCSc1ccccc1)Cc1cccn1-c1ncccn1 ZINC000055392837 214316449 /nfs/dbraw/zinc/31/64/49/214316449.db2.gz WICKQAIVRBTIGY-UHFFFAOYSA-N 1 1 338.480 3.882 50 0 EHAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000055407779 214321976 /nfs/dbraw/zinc/32/19/76/214321976.db2.gz CHNZCKPBXMHSCD-QWHCGFSZSA-N 1 1 328.909 3.571 50 0 EHAAMO COc1cc2c(cc1OC)[C@]1(C)CC(C)(C)[NH+]=C(SC)N1CC2 ZINC000100746622 219106136 /nfs/dbraw/zinc/10/61/36/219106136.db2.gz UFETWOZBNWDOMC-SFHVURJKSA-N 1 1 334.485 3.678 50 0 biogenic EHAAMO CSc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000003347150 210015044 /nfs/dbraw/zinc/01/50/44/210015044.db2.gz GARWYNGZYULIQU-OAHLLOKOSA-N 1 1 328.481 3.718 50 0 EHAAMO CSc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000003347150 210015049 /nfs/dbraw/zinc/01/50/49/210015049.db2.gz GARWYNGZYULIQU-OAHLLOKOSA-N 1 1 328.481 3.718 50 0 EHAAMO CCc1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)on1 ZINC000067643114 215171468 /nfs/dbraw/zinc/17/14/68/215171468.db2.gz XZLNPRMKVBWNNP-LEWJYISDSA-N 1 1 336.435 3.741 50 0 EHAAMO CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1=CCC[N@@H+](C)C1 ZINC000067675978 215181891 /nfs/dbraw/zinc/18/18/91/215181891.db2.gz ZGMKCXQZMNUIBR-HNNXBMFYSA-N 1 1 327.255 3.764 50 0 EHAAMO CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC000067676573 215183458 /nfs/dbraw/zinc/18/34/58/215183458.db2.gz OVOTYTHPMVMEKE-QFIPXVFZSA-N 1 1 336.479 3.983 50 0 EHAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000067774062 215208999 /nfs/dbraw/zinc/20/89/99/215208999.db2.gz DSFDYFOQCRSAOI-LJQANCHMSA-N 1 1 336.439 3.873 50 0 EHAAMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000067804310 215216897 /nfs/dbraw/zinc/21/68/97/215216897.db2.gz QJGGRZKDXAGBIH-INIZCTEOSA-N 1 1 339.483 3.609 50 0 EHAAMO Cc1cc(-n2cccn2)ccc1-c1nccn1CC[C@@H]1CCC[N@@H+]1C ZINC000067851357 215230979 /nfs/dbraw/zinc/23/09/79/215230979.db2.gz RSPRWIQTDTWVQK-KRWDZBQOSA-N 1 1 335.455 3.529 50 0 EHAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2c1 ZINC000067921127 215251513 /nfs/dbraw/zinc/25/15/13/215251513.db2.gz CIJKQYQJIDVMMS-HXUWFJFHSA-N 1 1 349.434 3.659 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(C)nc2ccccc21 ZINC000069381511 215394634 /nfs/dbraw/zinc/39/46/34/215394634.db2.gz LGAKOPJXZDKWEN-UHFFFAOYSA-N 1 1 343.390 3.685 50 0 EHAAMO COc1cccc(-c2noc3c2C[N@H+](C2CCSCC2)CC3)c1 ZINC000039500102 213237641 /nfs/dbraw/zinc/23/76/41/213237641.db2.gz ZMJFJUZFRIIQKE-UHFFFAOYSA-N 1 1 330.453 3.604 50 0 EHAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000035672094 213045097 /nfs/dbraw/zinc/04/50/97/213045097.db2.gz MBDWWTCEBPGKAA-LJQANCHMSA-N 1 1 337.419 3.722 50 0 EHAAMO CC(C)c1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000071922272 215971268 /nfs/dbraw/zinc/97/12/68/215971268.db2.gz HHSLVLYYORUQON-KRWDZBQOSA-N 1 1 345.487 3.529 50 0 EHAAMO COc1cccc(-n2cc(C[N@H+](C)Cc3cc4ccccc4[nH]3)cn2)c1 ZINC000072125669 216017079 /nfs/dbraw/zinc/01/70/79/216017079.db2.gz MPOYNFLBRACGEZ-UHFFFAOYSA-N 1 1 346.434 3.994 50 0 EHAAMO COc1cccc(-n2cc(C[N@@H+](C)Cc3cc4ccccc4[nH]3)cn2)c1 ZINC000072125669 216017082 /nfs/dbraw/zinc/01/70/82/216017082.db2.gz MPOYNFLBRACGEZ-UHFFFAOYSA-N 1 1 346.434 3.994 50 0 EHAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)o1 ZINC000072145425 216032817 /nfs/dbraw/zinc/03/28/17/216032817.db2.gz VNNMEDZMGGRBDO-MRXNPFEDSA-N 1 1 344.430 3.623 50 0 EHAAMO COc1ccccc1C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000072159097 216048122 /nfs/dbraw/zinc/04/81/22/216048122.db2.gz KNCKCUDOPFZSPG-UHFFFAOYSA-N 1 1 348.450 3.656 50 0 EHAAMO CCn1ccc2ccc(C[N@H+]3CCCN(Cc4cccnc4)CC3)cc21 ZINC000072167645 216056976 /nfs/dbraw/zinc/05/69/76/216056976.db2.gz CVXBYKWWWPXVPN-UHFFFAOYSA-N 1 1 348.494 3.764 50 0 EHAAMO COc1ccc(NC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1 ZINC000072168688 216059906 /nfs/dbraw/zinc/05/99/06/216059906.db2.gz PBSZPHMNTBKLFJ-QGZVFWFLSA-N 1 1 342.443 3.677 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000108352587 219846315 /nfs/dbraw/zinc/84/63/15/219846315.db2.gz UPWPVKRISVOSNH-ZIAGYGMSSA-N 1 1 336.430 3.766 50 0 EHAAMO O=C(Nc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000000066448 209396616 /nfs/dbraw/zinc/39/66/16/209396616.db2.gz TWLMQLVMZJZCAZ-UHFFFAOYSA-N 1 1 327.403 3.566 50 0 EHAAMO O=C(Nc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000000066448 209396623 /nfs/dbraw/zinc/39/66/23/209396623.db2.gz TWLMQLVMZJZCAZ-UHFFFAOYSA-N 1 1 327.403 3.566 50 0 EHAAMO c1ncc(C[N@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)[nH]1 ZINC000072424705 216214512 /nfs/dbraw/zinc/21/45/12/216214512.db2.gz QRIAAHGOHSNVKK-UHFFFAOYSA-N 1 1 347.466 3.593 50 0 EHAAMO c1nc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)c[nH]1 ZINC000072424705 216214515 /nfs/dbraw/zinc/21/45/15/216214515.db2.gz QRIAAHGOHSNVKK-UHFFFAOYSA-N 1 1 347.466 3.593 50 0 EHAAMO c1nc(C[N@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)c[nH]1 ZINC000072424705 216214516 /nfs/dbraw/zinc/21/45/16/216214516.db2.gz QRIAAHGOHSNVKK-UHFFFAOYSA-N 1 1 347.466 3.593 50 0 EHAAMO CS[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000072949279 216331782 /nfs/dbraw/zinc/33/17/82/216331782.db2.gz HDSWRLRYWAGGFV-XYPHTWIQSA-N 1 1 333.501 3.811 50 0 EHAAMO C[C@H](c1cccc(-c2nc3c(-c4ccccn4)nn(C)c3[nH]2)c1)[NH+](C)C ZINC000023478372 212378806 /nfs/dbraw/zinc/37/88/06/212378806.db2.gz TUEOATQRFVPDFD-CYBMUJFWSA-N 1 1 346.438 3.648 50 0 EHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000022333379 212291274 /nfs/dbraw/zinc/29/12/74/212291274.db2.gz JJSBMMWFGWWHMG-AWEZNQCLSA-N 1 1 345.393 3.876 50 0 EHAAMO O=C(COc1cc[nH+]c2c1CCCC2)Nc1ccc(F)c(Cl)c1 ZINC000207012369 241062024 /nfs/dbraw/zinc/06/20/24/241062024.db2.gz FISILRQGOKLIAN-UHFFFAOYSA-N 1 1 334.778 3.770 50 0 EHAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)CCCc1nccn1C ZINC000215863074 241151643 /nfs/dbraw/zinc/15/16/43/241151643.db2.gz ZMSDPWQWSBQPDA-UHFFFAOYSA-N 1 1 330.457 3.510 50 0 EHAAMO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1csc(C[NH3+])n1 ZINC000236710318 242329206 /nfs/dbraw/zinc/32/92/06/242329206.db2.gz QYJTYUNQALZBHB-HNNXBMFYSA-N 1 1 337.876 3.725 50 0 EHAAMO Cc1ccc(-c2nc(C[N@H+](C)C[C@H]3Cc4ccccc4O3)c(C)o2)o1 ZINC000020784875 212171755 /nfs/dbraw/zinc/17/17/55/212171755.db2.gz HWJFCWFORVSKRA-MRXNPFEDSA-N 1 1 338.407 3.987 50 0 EHAAMO Cc1ccc(-c2nc(C[N@@H+](C)C[C@H]3Cc4ccccc4O3)c(C)o2)o1 ZINC000020784875 212171758 /nfs/dbraw/zinc/17/17/58/212171758.db2.gz HWJFCWFORVSKRA-MRXNPFEDSA-N 1 1 338.407 3.987 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc2c(c1)CCC2 ZINC000244778683 243079788 /nfs/dbraw/zinc/07/97/88/243079788.db2.gz PUVTXTWXQNHCJU-FQEVSTJZSA-N 1 1 335.451 3.736 50 0 EHAAMO CCN1CC[NH+](CCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020406317 212125781 /nfs/dbraw/zinc/12/57/81/212125781.db2.gz HFWKCDIFIVOZRL-UHFFFAOYSA-N 1 1 338.495 3.684 50 0 EHAAMO CCN1CC[NH+](CCCOc2ccccc2Cc2ccccc2)CC1 ZINC000020390062 212124950 /nfs/dbraw/zinc/12/49/50/212124950.db2.gz SCCWUSVORMCMEQ-UHFFFAOYSA-N 1 1 338.495 3.684 50 0 EHAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019933395 212086823 /nfs/dbraw/zinc/08/68/23/212086823.db2.gz WGVHQZGXNWGHKT-UHFFFAOYSA-N 1 1 338.495 3.547 50 0 EHAAMO O=C(Nc1cccc2[nH]ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000078441406 217052945 /nfs/dbraw/zinc/05/29/45/217052945.db2.gz JHRQWJCWXIWPNW-UHFFFAOYSA-N 1 1 334.423 3.518 50 0 EHAAMO COc1ccc(S(=O)(=O)[N-]c2ccncc2C)c(Cl)c1Cl ZINC000078936133 217151936 /nfs/dbraw/zinc/15/19/36/217151936.db2.gz BHZIXIMVIMBZSZ-UHFFFAOYSA-N 1 1 347.223 3.506 50 0 EHAAMO C[C@@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000079109599 217195429 /nfs/dbraw/zinc/19/54/29/217195429.db2.gz PXPSHSLNANTCQS-INIZCTEOSA-N 1 1 344.480 3.608 50 0 EHAAMO COC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012458119 211388937 /nfs/dbraw/zinc/38/89/37/211388937.db2.gz ORDKWIFDDVEYBN-KRWDZBQOSA-N 1 1 344.455 3.968 50 0 EHAAMO CCCO[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012387347 211365146 /nfs/dbraw/zinc/36/51/46/211365146.db2.gz MMEIZDJTIZOGKB-OAHLLOKOSA-N 1 1 335.835 3.781 50 0 EHAAMO CCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012387347 211365150 /nfs/dbraw/zinc/36/51/50/211365150.db2.gz MMEIZDJTIZOGKB-OAHLLOKOSA-N 1 1 335.835 3.781 50 0 EHAAMO CSc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012315163 211344892 /nfs/dbraw/zinc/34/48/92/211344892.db2.gz DULFDFQZNZJTGT-HXUWFJFHSA-N 1 1 344.524 3.747 50 0 EHAAMO 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CC(=O)N1CCC([N@H+]2CCC[C@@H](CCc3ccccc3C)C2)CC1 ZINC000011839919 211254417 /nfs/dbraw/zinc/25/44/17/211254417.db2.gz ICRNHLOBZUOHMD-IBGZPJMESA-N 1 1 328.500 3.651 50 0 EHAAMO Cc1ccc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)[nH+]c1 ZINC000091770497 218063175 /nfs/dbraw/zinc/06/31/75/218063175.db2.gz IXUMISZGUXLYKI-HXUWFJFHSA-N 1 1 327.472 3.542 50 0 EHAAMO O=C1N(CC2CCC2)CCC[C@]12CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000091845496 218075201 /nfs/dbraw/zinc/07/52/01/218075201.db2.gz ULHHNTMAPUHSRD-NCZOVAKNSA-N 1 1 338.495 3.814 50 0 EHAAMO O=C1NCCC[C@]12CC[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000091877017 218083261 /nfs/dbraw/zinc/08/32/61/218083261.db2.gz WOJPOKFTFVTQQY-LJQANCHMSA-N 1 1 326.465 3.517 50 0 EHAAMO CC[N@H+](Cc1ccccc1)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434764 211173066 /nfs/dbraw/zinc/17/30/66/211173066.db2.gz FLVQWHBHFYORRA-DLBGWFIVSA-N 1 1 343.511 3.855 50 0 EHAAMO Fc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(C(F)(F)F)c1 ZINC000092659332 218157809 /nfs/dbraw/zinc/15/78/09/218157809.db2.gz LUEMPIJUGLVZFV-UHFFFAOYSA-N 1 1 327.325 3.878 50 0 EHAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000095361841 218294464 /nfs/dbraw/zinc/29/44/64/218294464.db2.gz LPGRRBPYCBXCER-AWEZNQCLSA-N 1 1 329.271 3.874 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000008940112 211021049 /nfs/dbraw/zinc/02/10/49/211021049.db2.gz PHYUWWKBPPUWRE-HOCLYGCPSA-N 1 1 339.483 3.507 50 0 EHAAMO CC(C)Cc1ccc(C[NH2+][C@@H](c2nnc3n2CCC3)C(C)C)cc1 ZINC000095410404 218347139 /nfs/dbraw/zinc/34/71/39/218347139.db2.gz CQIGLVDUXHVHNS-LJQANCHMSA-N 1 1 326.488 3.910 50 0 EHAAMO C[C@@H](N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421348 218363571 /nfs/dbraw/zinc/36/35/71/218363571.db2.gz YTWFEDATJQSRIF-XLIONFOSSA-N 1 1 341.499 3.698 50 0 EHAAMO CN1CCN(C[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421741 218364143 /nfs/dbraw/zinc/36/41/43/218364143.db2.gz MAVCMLXGHWZTOF-XZOQPEGZSA-N 1 1 349.522 3.642 50 0 EHAAMO CCc1nc(C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)cs1 ZINC000095422156 218364341 /nfs/dbraw/zinc/36/43/41/218364341.db2.gz DWKBGEVIUPORRX-UHFFFAOYSA-N 1 1 333.476 3.599 50 0 EHAAMO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc(Cl)o1 ZINC000097402550 219022063 /nfs/dbraw/zinc/02/20/63/219022063.db2.gz DQBGNXJIPGWNHI-AWEZNQCLSA-N 1 1 336.794 3.639 50 0 EHAAMO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000004746262 210268952 /nfs/dbraw/zinc/26/89/52/210268952.db2.gz PDLBVBBEVGPBTN-QFIPXVFZSA-N 1 1 348.490 3.792 50 0 EHAAMO CCN(CC)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299777664 258087819 /nfs/dbraw/zinc/08/78/19/258087819.db2.gz NHNJWZNRJBGYMC-KSZLIROESA-N 1 1 340.471 3.604 50 0 EHAAMO CC(C)N(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299796542 258101247 /nfs/dbraw/zinc/10/12/47/258101247.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 1 1 340.471 3.603 50 0 EHAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc(O)c(Cl)c2)cc1 ZINC000055060768 258061304 /nfs/dbraw/zinc/06/13/04/258061304.db2.gz WCBZXEHLWABRTK-UHFFFAOYSA-N 1 1 337.872 3.762 50 0 EHAAMO CCOc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)ccc1O ZINC000055543352 132195664 /nfs/dbraw/zinc/19/56/64/132195664.db2.gz NYCMLDMLZNOIPV-UHFFFAOYSA-N 1 1 346.858 3.767 50 0 EHAAMO Cc1cc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)on1 ZINC000010171103 135688844 /nfs/dbraw/zinc/68/88/44/135688844.db2.gz GBXRQDCJCOHTSN-OAHLLOKOSA-N 1 1 342.443 3.658 50 0 EHAAMO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000251016454 518396683 /nfs/dbraw/zinc/39/66/83/518396683.db2.gz ASVTUSWKXGUDDQ-WMZOPIPTSA-N 1 1 345.464 3.528 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1 ZINC000017246967 524973193 /nfs/dbraw/zinc/97/31/93/524973193.db2.gz YPYHVQMQVWXXGN-QKLQHJQFSA-N 1 1 347.499 3.583 50 0 EHAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1 ZINC000017246967 524973202 /nfs/dbraw/zinc/97/32/02/524973202.db2.gz YPYHVQMQVWXXGN-QKLQHJQFSA-N 1 1 347.499 3.583 50 0 EHAAMO CC[N@@H+](CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001530654 563391302 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CC(C)([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1nccs1 ZINC000071909500 563575192 /nfs/dbraw/zinc/57/51/92/563575192.db2.gz OYOWGMCTYWZEAD-UHFFFAOYSA-N 1 1 338.860 3.983 50 0 EHAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCc1cccs1 ZINC000008746442 563639234 /nfs/dbraw/zinc/63/92/34/563639234.db2.gz UXABKIVQBUVXLN-HNNXBMFYSA-N 1 1 343.496 3.855 50 0 EHAAMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1)Cc1ccccc1 ZINC000012997758 563683787 /nfs/dbraw/zinc/68/37/87/563683787.db2.gz FGFYPENJDIEXQV-UHFFFAOYSA-N 1 1 348.450 3.641 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1)Cc1ccccc1 ZINC000012997758 563683788 /nfs/dbraw/zinc/68/37/88/563683788.db2.gz FGFYPENJDIEXQV-UHFFFAOYSA-N 1 1 348.450 3.641 50 0 EHAAMO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000014238451 563753559 /nfs/dbraw/zinc/75/35/59/563753559.db2.gz APAKWDLPUDJFME-IBGZPJMESA-N 1 1 343.467 3.574 50 0 EHAAMO Cc1ncc(C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)s1 ZINC000015073376 563776007 /nfs/dbraw/zinc/77/60/07/563776007.db2.gz 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ZINC000072308830 563916425 /nfs/dbraw/zinc/91/64/25/563916425.db2.gz QNXPTGMXFXNZJQ-UTKZUKDTSA-N 1 1 344.499 3.535 50 0 EHAAMO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)cc3cn[nH]c32)c1 ZINC000060365728 563935557 /nfs/dbraw/zinc/93/55/57/563935557.db2.gz HMXLVEMUJPMAPO-UHFFFAOYSA-N 1 1 336.439 3.965 50 0 EHAAMO COc1cccc(C[N@H+](Cc2nc(C)cs2)C2CCC(O)CC2)c1 ZINC000096461824 563954145 /nfs/dbraw/zinc/95/41/45/563954145.db2.gz MWNULUIXVSOVCV-UHFFFAOYSA-N 1 1 346.496 3.766 50 0 EHAAMO COc1cccc(C[N@@H+](Cc2nc(C)cs2)C2CCC(O)CC2)c1 ZINC000096461824 563954147 /nfs/dbraw/zinc/95/41/47/563954147.db2.gz MWNULUIXVSOVCV-UHFFFAOYSA-N 1 1 346.496 3.766 50 0 EHAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)on1 ZINC000064984370 563957392 /nfs/dbraw/zinc/95/73/92/563957392.db2.gz BHDCNLCGDABHLP-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)on1 ZINC000064984370 563957394 /nfs/dbraw/zinc/95/73/94/563957394.db2.gz BHDCNLCGDABHLP-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000065371157 563958369 /nfs/dbraw/zinc/95/83/69/563958369.db2.gz KTGQYVAGBXAITC-GOSISDBHSA-N 1 1 330.403 3.652 50 0 EHAAMO COc1ccc(-n2nc(C)nc2[C@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000065372431 563958703 /nfs/dbraw/zinc/95/87/03/563958703.db2.gz DBXKNUNGYQABBZ-ZDUSSCGKSA-N 1 1 325.416 3.514 50 0 EHAAMO C/C=C(\C)c1c(-c2ccccc2)ncn1CC[N@H+]1CCC[C@H](CO)C1 ZINC000065434453 563960905 /nfs/dbraw/zinc/96/09/05/563960905.db2.gz JWFYPQYVZIIAPU-KAKVSTIOSA-N 1 1 339.483 3.678 50 0 EHAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000065493097 563961578 /nfs/dbraw/zinc/96/15/78/563961578.db2.gz ZLWPABYLMGWGIL-QFIPXVFZSA-N 1 1 349.478 3.768 50 0 EHAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000071707831 563964758 /nfs/dbraw/zinc/96/47/58/563964758.db2.gz JOTVVFZIACAMQS-SFHVURJKSA-N 1 1 349.434 3.501 50 0 EHAAMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000071779875 563965812 /nfs/dbraw/zinc/96/58/12/563965812.db2.gz LNTBDYGLRRKZNA-PZJWPPBQSA-N 1 1 335.451 3.530 50 0 EHAAMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccc([S@](C)=O)cc1 ZINC000097141632 563968188 /nfs/dbraw/zinc/96/81/88/563968188.db2.gz RLCFEPBCDUZERM-HSZRJFAPSA-N 1 1 327.453 3.714 50 0 EHAAMO COc1c(F)cc(C[NH+]2CCC([C@H](O)CC(C)C)CC2)cc1F ZINC000077436297 563969625 /nfs/dbraw/zinc/96/96/25/563969625.db2.gz DJXHAIVFODAQSC-QGZVFWFLSA-N 1 1 327.415 3.592 50 0 EHAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3ccnc(C(C)C)n3)C2)c1 ZINC000077440699 563969689 /nfs/dbraw/zinc/96/96/89/563969689.db2.gz BJLKCWAWMZKEOT-OAHLLOKOSA-N 1 1 341.455 3.607 50 0 EHAAMO CC(C)C[C@H](O)C1CC[NH+](Cc2c[nH]c(CC3CCCC3)n2)CC1 ZINC000077505297 563970061 /nfs/dbraw/zinc/97/00/61/563970061.db2.gz QQCOYFJJSUDGRG-IBGZPJMESA-N 1 1 333.520 3.761 50 0 EHAAMO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000082086711 563972009 /nfs/dbraw/zinc/97/20/09/563972009.db2.gz JICIJAGDFATWHG-SFHVURJKSA-N 1 1 325.456 3.571 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000082092685 563972087 /nfs/dbraw/zinc/97/20/87/563972087.db2.gz DURQZZCWEDYWBF-GOSISDBHSA-N 1 1 336.439 3.758 50 0 EHAAMO Cc1nc(C)c(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)s1 ZINC000082121458 563972490 /nfs/dbraw/zinc/97/24/90/563972490.db2.gz GTNPDDRMUPUKFO-HNNXBMFYSA-N 1 1 337.533 3.780 50 0 EHAAMO Cc1cccnc1CNc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097082176 563973176 /nfs/dbraw/zinc/97/31/76/563973176.db2.gz LWGDFQVEOJRPOI-LJQANCHMSA-N 1 1 347.466 3.646 50 0 EHAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(F)cc1F ZINC000085651302 563973920 /nfs/dbraw/zinc/97/39/20/563973920.db2.gz GVHNDGSZSKRFPJ-UHFFFAOYSA-N 1 1 333.403 3.745 50 0 EHAAMO CCn1ccnc1[C@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028259 563975998 /nfs/dbraw/zinc/97/59/98/563975998.db2.gz QLFBVALRFONFPB-KRWDZBQOSA-N 1 1 343.446 3.885 50 0 EHAAMO Cc1nc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)oc1C ZINC000072290433 563976413 /nfs/dbraw/zinc/97/64/13/563976413.db2.gz MSDYZMIHXVUZNV-YOFSQIOKSA-N 1 1 339.483 3.919 50 0 EHAAMO CCSCCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095507646 563977170 /nfs/dbraw/zinc/97/71/70/563977170.db2.gz SNXJIQPSVQZOIV-GOSISDBHSA-N 1 1 346.540 3.610 50 0 EHAAMO CC(C)CO[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000248146788 563995303 /nfs/dbraw/zinc/99/53/03/563995303.db2.gz FHKAAUJLFYETFC-MSOLQXFVSA-N 1 1 346.515 3.738 50 0 EHAAMO C[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000252475398 563997648 /nfs/dbraw/zinc/99/76/48/563997648.db2.gz ZRYLIHCXGKRKBK-AVGNSLFASA-N 1 1 345.834 3.887 50 0 EHAAMO COc1ccc(Cl)c(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000252498723 563997801 /nfs/dbraw/zinc/99/78/01/563997801.db2.gz RJOIKSZTHMISLA-LLVKDONJSA-N 1 1 346.814 3.530 50 0 EHAAMO c1cc(C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)[nH]n1 ZINC000065512316 563998257 /nfs/dbraw/zinc/99/82/57/563998257.db2.gz YVZIWNJDRKZDJV-UHFFFAOYSA-N 1 1 348.450 3.763 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000253421573 563999216 /nfs/dbraw/zinc/99/92/16/563999216.db2.gz YGXKTWJVUVPQEY-CQSZACIVSA-N 1 1 330.463 3.781 50 0 EHAAMO Cc1cnc(-c2cccc(NC(=O)CCn3cc[nH+]c3C(C)C)c2)o1 ZINC000074360376 564000117 /nfs/dbraw/zinc/00/01/17/564000117.db2.gz YTNNJGJRMLQFSK-UHFFFAOYSA-N 1 1 338.411 3.999 50 0 EHAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1C ZINC000110524493 564025697 /nfs/dbraw/zinc/02/56/97/564025697.db2.gz YEULFUWZDQGUGA-ARFHVFGLSA-N 1 1 346.471 3.501 50 0 EHAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1C ZINC000110524493 564025698 /nfs/dbraw/zinc/02/56/98/564025698.db2.gz YEULFUWZDQGUGA-ARFHVFGLSA-N 1 1 346.471 3.501 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047416278 564026288 /nfs/dbraw/zinc/02/62/88/564026288.db2.gz VJHJXSPYGDBIEP-BETUJISGSA-N 1 1 326.843 3.577 50 0 EHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccncc1 ZINC000106830175 564026643 /nfs/dbraw/zinc/02/66/43/564026643.db2.gz YLLVFNMVCPYWCN-RTWAWAEBSA-N 1 1 349.478 3.657 50 0 EHAAMO CCC(CC)([NH2+]Cc1nncn1C)c1ccc(Cl)c(Cl)c1 ZINC000107900308 564027137 /nfs/dbraw/zinc/02/71/37/564027137.db2.gz ZONXAECAHGTCDQ-UHFFFAOYSA-N 1 1 327.259 3.927 50 0 EHAAMO O=C(Nc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1)C1CCC1 ZINC000048709725 564032121 /nfs/dbraw/zinc/03/21/21/564032121.db2.gz CHZVBEWFJUGTOP-UHFFFAOYSA-N 1 1 330.378 3.993 50 0 EHAAMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967536 564034071 /nfs/dbraw/zinc/03/40/71/564034071.db2.gz VVRJVEBKDAHHAI-XHSVMWQWSA-N 1 1 338.442 3.984 50 0 EHAAMO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000008126793 564034718 /nfs/dbraw/zinc/03/47/18/564034718.db2.gz OGAJEWKJPKWEOJ-FQEVSTJZSA-N 1 1 336.435 3.837 50 0 EHAAMO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000008126793 564034719 /nfs/dbraw/zinc/03/47/19/564034719.db2.gz OGAJEWKJPKWEOJ-FQEVSTJZSA-N 1 1 336.435 3.837 50 0 EHAAMO Cc1cn2c(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)c(C)nc2s1 ZINC000222089851 564036735 /nfs/dbraw/zinc/03/67/35/564036735.db2.gz IJCMEEVLYUYNTH-GOEBONIOSA-N 1 1 345.468 3.694 50 0 EHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O ZINC000034106649 564038290 /nfs/dbraw/zinc/03/82/90/564038290.db2.gz LTGLPYAKYKUGJR-VBKFSLOCSA-N 1 1 348.468 3.811 50 0 EHAAMO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000225333183 564046030 /nfs/dbraw/zinc/04/60/30/564046030.db2.gz GZIGCTMCUANSDW-KGLIPLIRSA-N 1 1 339.505 3.783 50 0 EHAAMO C[C@H](c1nccs1)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000225333183 564046031 /nfs/dbraw/zinc/04/60/31/564046031.db2.gz GZIGCTMCUANSDW-KGLIPLIRSA-N 1 1 339.505 3.783 50 0 EHAAMO Cc1cc(C)c(CN2CC([N@@H+]3CCCC[C@H]3C)C2)c(-n2cccn2)c1 ZINC000252489450 564053483 /nfs/dbraw/zinc/05/34/83/564053483.db2.gz JRGCSROMCADJIA-GOSISDBHSA-N 1 1 338.499 3.548 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1OC ZINC000012554444 564059249 /nfs/dbraw/zinc/05/92/49/564059249.db2.gz HQWLRMOEBWLBIT-UHFFFAOYSA-N 1 1 339.439 3.760 50 0 EHAAMO Fc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000012557704 564059397 /nfs/dbraw/zinc/05/93/97/564059397.db2.gz SXMWOVZQIQJGHK-UHFFFAOYSA-N 1 1 337.398 3.803 50 0 EHAAMO CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000025936029 564066906 /nfs/dbraw/zinc/06/69/06/564066906.db2.gz ILSYMZSZEZXKNE-UHFFFAOYSA-N 1 1 342.439 3.555 50 0 EHAAMO c1ccc2sc(NCc3ccccc3C[NH+]3CCOCC3)nc2c1 ZINC000012754972 564067228 /nfs/dbraw/zinc/06/72/28/564067228.db2.gz DZHVZTSQGKHXBN-UHFFFAOYSA-N 1 1 339.464 3.741 50 0 EHAAMO O=c1cc(C[N@@H+](CCc2ccccc2)C2CCCC2)nc2ccccn12 ZINC000063754821 564076756 /nfs/dbraw/zinc/07/67/56/564076756.db2.gz QPUHGQQITWXAII-UHFFFAOYSA-N 1 1 347.462 3.682 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000015862260 564076984 /nfs/dbraw/zinc/07/69/84/564076984.db2.gz OSXSRYGBJLVPHL-UHFFFAOYSA-N 1 1 336.435 3.786 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccco1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152051129 564079562 /nfs/dbraw/zinc/07/95/62/564079562.db2.gz HPCIQDNBXMRKOY-CQSZACIVSA-N 1 1 333.453 3.847 50 0 EHAAMO O=C(c1ccc2ccccc2n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000013008976 564086495 /nfs/dbraw/zinc/08/64/95/564086495.db2.gz SVXSDANQUOGVHF-UHFFFAOYSA-N 1 1 345.446 3.583 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000006558232 564092033 /nfs/dbraw/zinc/09/20/33/564092033.db2.gz IBGGKOLAUJMDKJ-OAHLLOKOSA-N 1 1 334.529 3.925 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3ccc(F)cc3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426382936 564093530 /nfs/dbraw/zinc/09/35/30/564093530.db2.gz PPHODMFSLXDQBD-SLFFLAALSA-N 1 1 333.447 3.764 50 0 EHAAMO CCOC(=O)N1CCC([N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426498629 564093919 /nfs/dbraw/zinc/09/39/19/564093919.db2.gz PLUVRDDSDJTVSQ-GOSISDBHSA-N 1 1 330.472 3.733 50 0 EHAAMO C[C@@H](NC(=O)C1=CC[N@@H+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000064818079 564096472 /nfs/dbraw/zinc/09/64/72/564096472.db2.gz DMWCENHDWZMCKM-MRXNPFEDSA-N 1 1 338.426 3.835 50 0 EHAAMO CC[C@H](C)[N@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000169677947 564098155 /nfs/dbraw/zinc/09/81/55/564098155.db2.gz TVOIJOLZYLXWOQ-PKOBYXMFSA-N 1 1 343.467 3.736 50 0 EHAAMO Cc1oc2c(c1C(=O)N1CCCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289700 564104753 /nfs/dbraw/zinc/10/47/53/564104753.db2.gz NEELNDRVAZGWDR-UHFFFAOYSA-N 1 1 338.451 3.691 50 0 EHAAMO Cc1oc2c(c1C(=O)N1CCCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289700 564104754 /nfs/dbraw/zinc/10/47/54/564104754.db2.gz NEELNDRVAZGWDR-UHFFFAOYSA-N 1 1 338.451 3.691 50 0 EHAAMO Cc1noc([C@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)n1 ZINC000065613539 564108395 /nfs/dbraw/zinc/10/83/95/564108395.db2.gz KOPLPDJWYUYXSA-AWEZNQCLSA-N 1 1 335.835 3.680 50 0 EHAAMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610757 564109771 /nfs/dbraw/zinc/10/97/71/564109771.db2.gz JHRHFWSLCYRKPS-UWJYYQICSA-N 1 1 347.462 3.885 50 0 EHAAMO c1nnc([C@H]2CCC[N@H+](CCSC3CCCCC3)C2)n1C1CC1 ZINC000252495790 564119699 /nfs/dbraw/zinc/11/96/99/564119699.db2.gz PAFAULYVLZWLBE-HNNXBMFYSA-N 1 1 334.533 3.858 50 0 EHAAMO C[C@]12CC3CC(C(=O)N[C@H]4CC[N@H+]5CCC[C@@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512643 564120153 /nfs/dbraw/zinc/12/01/53/564120153.db2.gz UDAXJCVJNFABGB-CINKKYBTSA-N 1 1 330.516 3.726 50 0 EHAAMO CO[C@@H](c1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1)c1ccc(F)cc1 ZINC000252551883 564120769 /nfs/dbraw/zinc/12/07/69/564120769.db2.gz UJFADMNCVWDAQU-OQMKEHIESA-N 1 1 333.407 3.878 50 0 EHAAMO CO[C@@H](c1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1)c1ccc(F)cc1 ZINC000252551883 564120770 /nfs/dbraw/zinc/12/07/70/564120770.db2.gz UJFADMNCVWDAQU-OQMKEHIESA-N 1 1 333.407 3.878 50 0 EHAAMO Cc1ncsc1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253417415 564130807 /nfs/dbraw/zinc/13/08/07/564130807.db2.gz DOVGSLIDZZVPFS-LLVKDONJSA-N 1 1 344.406 3.616 50 0 EHAAMO Cc1ncsc1CC[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000253417415 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ZINC000032911533 563804291 /nfs/dbraw/zinc/80/42/91/563804291.db2.gz IPAAJEWADDZFJU-MRXNPFEDSA-N 1 1 328.843 3.734 50 0 EHAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020538697 563859441 /nfs/dbraw/zinc/85/94/41/563859441.db2.gz RJWOSVQCFNIABQ-QFIPXVFZSA-N 1 1 349.522 3.782 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)Nc3cccc4[nH]ccc43)CC2)[nH+]1 ZINC000069970804 563892213 /nfs/dbraw/zinc/89/22/13/563892213.db2.gz ZUHHWIJCDBJEKV-UHFFFAOYSA-N 1 1 349.438 3.980 50 0 EHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCCC2 ZINC000029839912 563908694 /nfs/dbraw/zinc/90/86/94/563908694.db2.gz NRTCBFHJTYMNIS-UHFFFAOYSA-N 1 1 348.490 3.744 50 0 EHAAMO O=C1OCCN1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058378490 563944273 /nfs/dbraw/zinc/94/42/73/563944273.db2.gz PELKPFJEFXXJAH-OAHLLOKOSA-N 1 1 345.468 3.666 50 0 EHAAMO Cc1cccn2cc(-c3ccc(NC(=O)C[N@H+](C)C(C)C)cc3)nc12 ZINC000058415863 563945420 /nfs/dbraw/zinc/94/54/20/563945420.db2.gz UVEDNCVOBNFQOT-UHFFFAOYSA-N 1 1 336.439 3.588 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC000058430094 563946203 /nfs/dbraw/zinc/94/62/03/563946203.db2.gz OKAQKYNEBASSJN-LJQANCHMSA-N 1 1 332.463 3.672 50 0 EHAAMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096423799 563951883 /nfs/dbraw/zinc/95/18/83/563951883.db2.gz GNLRJGWCWFPPOL-AWEZNQCLSA-N 1 1 345.418 3.530 50 0 EHAAMO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@H+]2CCC[C@H]2C)c1 ZINC000065370102 563958342 /nfs/dbraw/zinc/95/83/42/563958342.db2.gz JRCZOOHMGMZUJW-MRXNPFEDSA-N 1 1 340.471 3.838 50 0 EHAAMO CCCn1ccnc1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065396951 563959786 /nfs/dbraw/zinc/95/97/86/563959786.db2.gz PLCUEEHQNFJBSU-LEWJYISDSA-N 1 1 349.478 3.797 50 0 EHAAMO CCCn1ccnc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065396951 563959787 /nfs/dbraw/zinc/95/97/87/563959787.db2.gz PLCUEEHQNFJBSU-LEWJYISDSA-N 1 1 349.478 3.797 50 0 EHAAMO CNc1ncccc1C[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065435752 563960896 /nfs/dbraw/zinc/96/08/96/563960896.db2.gz BKXPXNZVSYULPV-SFHVURJKSA-N 1 1 345.450 3.570 50 0 EHAAMO CCc1nnc(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000097086452 563967343 /nfs/dbraw/zinc/96/73/43/563967343.db2.gz DTVKMCQCISIFRA-GFCCVEGCSA-N 1 1 325.334 3.640 50 0 EHAAMO CCc1nnc(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000097086452 563967344 /nfs/dbraw/zinc/96/73/44/563967344.db2.gz DTVKMCQCISIFRA-GFCCVEGCSA-N 1 1 325.334 3.640 50 0 EHAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2F)c1 ZINC000077393277 563969382 /nfs/dbraw/zinc/96/93/82/563969382.db2.gz QIAWJWCWKGDFKL-KRWDZBQOSA-N 1 1 331.435 3.793 50 0 EHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000077423770 563969596 /nfs/dbraw/zinc/96/95/96/563969596.db2.gz MOULZAQAXCPWQB-MRXNPFEDSA-N 1 1 344.430 3.966 50 0 EHAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCc2nccn2C)c(F)c1 ZINC000077540524 563970301 /nfs/dbraw/zinc/97/03/01/563970301.db2.gz MARAINZZCGTDEY-INIZCTEOSA-N 1 1 331.435 3.555 50 0 EHAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)co1 ZINC000077565407 563970402 /nfs/dbraw/zinc/97/04/02/563970402.db2.gz KAERFGMULDOIIT-QGZVFWFLSA-N 1 1 336.439 3.677 50 0 EHAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)co1 ZINC000077565407 563970403 /nfs/dbraw/zinc/97/04/03/563970403.db2.gz KAERFGMULDOIIT-QGZVFWFLSA-N 1 1 336.439 3.677 50 0 EHAAMO COc1c(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c(C)nn1C ZINC000058407404 563971125 /nfs/dbraw/zinc/97/11/25/563971125.db2.gz FXYZGWQSPHTTBQ-AWEZNQCLSA-N 1 1 337.876 3.717 50 0 EHAAMO Cc1nc(C(C)C)cc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000082096408 563972155 /nfs/dbraw/zinc/97/21/55/563972155.db2.gz BHMMTASVBVGFJA-QGZVFWFLSA-N 1 1 339.487 3.899 50 0 EHAAMO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](CCC)CC3)cc1 ZINC000033287217 563973003 /nfs/dbraw/zinc/97/30/03/563973003.db2.gz ITWQZAUHALRWEI-UHFFFAOYSA-N 1 1 341.480 3.886 50 0 EHAAMO CCn1cc[nH+]c1C1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000095524243 563977431 /nfs/dbraw/zinc/97/74/31/563977431.db2.gz 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COc1cc(F)cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000225338345 564046071 /nfs/dbraw/zinc/04/60/71/564046071.db2.gz AJUZAFKKMUURQP-IFXJQAMLSA-N 1 1 329.419 3.552 50 0 EHAAMO CO[C@@H](c1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1)c1ccc(F)cc1 ZINC000225504575 564047332 /nfs/dbraw/zinc/04/73/32/564047332.db2.gz UJFADMNCVWDAQU-WFGGJUAMSA-N 1 1 333.407 3.878 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000240668599 564051776 /nfs/dbraw/zinc/05/17/76/564051776.db2.gz HNTAMMHWESLTDX-LLVKDONJSA-N 1 1 330.379 3.504 50 0 EHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000241644253 564052060 /nfs/dbraw/zinc/05/20/60/564052060.db2.gz PPOCVNLBPKXWPS-JVPBZIDWSA-N 1 1 329.465 3.639 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005788455 564052150 /nfs/dbraw/zinc/05/21/50/564052150.db2.gz VDGSGEDIQNWBAS-VVHWVUDUSA-N 1 1 335.532 3.845 50 0 EHAAMO COc1ccnc(C[N@H+]2CCC[C@@H](COc3ccccc3F)C2)c1 ZINC000252503716 564053563 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Cc1[nH+]ccn1CCCC(=O)N1CCCc2cccc(OC(F)F)c21 ZINC000074141237 564070152 /nfs/dbraw/zinc/07/01/52/564070152.db2.gz RFMUMXUROVNJOP-UHFFFAOYSA-N 1 1 349.381 3.553 50 0 EHAAMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000015831694 564075927 /nfs/dbraw/zinc/07/59/27/564075927.db2.gz WGRQMMDUBANGTF-QGZVFWFLSA-N 1 1 341.430 3.512 50 0 EHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)CCOc1ccccc1F ZINC000012903333 564077784 /nfs/dbraw/zinc/07/77/84/564077784.db2.gz HPOICTSQFGAMSO-CQSZACIVSA-N 1 1 340.398 3.889 50 0 EHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)CCOc1ccccc1F ZINC000012903333 564077785 /nfs/dbraw/zinc/07/77/85/564077785.db2.gz HPOICTSQFGAMSO-CQSZACIVSA-N 1 1 340.398 3.889 50 0 EHAAMO Cc1noc([C@@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000075612281 564089891 /nfs/dbraw/zinc/08/98/91/564089891.db2.gz NLUUQHRCYDBOCG-CJNGLKHVSA-N 1 1 337.427 3.709 50 0 EHAAMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CC[N@H+]1C ZINC000521396278 564090916 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CCc1nc(CC(=O)Nc2cc(F)ccc2-n2cc[nH+]c2C)cs1 ZINC000065568525 564107722 /nfs/dbraw/zinc/10/77/22/564107722.db2.gz HWSWFTHPVYPGKH-UHFFFAOYSA-N 1 1 344.415 3.520 50 0 EHAAMO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000007420065 564108215 /nfs/dbraw/zinc/10/82/15/564108215.db2.gz OYBFXMNVOHEIAJ-OAHLLOKOSA-N 1 1 326.440 3.717 50 0 EHAAMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000007420065 564108216 /nfs/dbraw/zinc/10/82/16/564108216.db2.gz OYBFXMNVOHEIAJ-OAHLLOKOSA-N 1 1 326.440 3.717 50 0 EHAAMO C[C@@H]1SCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1C ZINC000170631138 564110637 /nfs/dbraw/zinc/11/06/37/564110637.db2.gz ILRITJSVRUFPDA-GJZGRUSLSA-N 1 1 327.497 3.687 50 0 EHAAMO C[C@@H]1SCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1C ZINC000170631138 564110638 /nfs/dbraw/zinc/11/06/38/564110638.db2.gz ILRITJSVRUFPDA-GJZGRUSLSA-N 1 1 327.497 3.687 50 0 EHAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000089905474 564115081 /nfs/dbraw/zinc/11/50/81/564115081.db2.gz HMKFKASBVMNXAW-JTSKRJEESA-N 1 1 348.490 3.670 50 0 EHAAMO COC(=O)c1ccc(OCCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000002822260 564116940 /nfs/dbraw/zinc/11/69/40/564116940.db2.gz PMCQJXAADVRAQY-UHFFFAOYSA-N 1 1 327.424 3.764 50 0 EHAAMO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246503825 564117815 /nfs/dbraw/zinc/11/78/15/564117815.db2.gz HWMFBHKUIPSIAH-HZPDHXFCSA-N 1 1 347.434 3.594 50 0 EHAAMO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246503825 564117816 /nfs/dbraw/zinc/11/78/16/564117816.db2.gz HWMFBHKUIPSIAH-HZPDHXFCSA-N 1 1 347.434 3.594 50 0 EHAAMO Cc1ncc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 ZINC000252512449 564120158 /nfs/dbraw/zinc/12/01/58/564120158.db2.gz QRLBGJFZDVIPCA-HUUCEWRRSA-N 1 1 343.279 3.848 50 0 EHAAMO COc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1O ZINC000194975078 564122659 /nfs/dbraw/zinc/12/26/59/564122659.db2.gz BJSRJEHXIYXLDE-UHFFFAOYSA-N 1 1 343.267 3.718 50 0 EHAAMO COc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1O ZINC000194975078 564122660 /nfs/dbraw/zinc/12/26/60/564122660.db2.gz BJSRJEHXIYXLDE-UHFFFAOYSA-N 1 1 343.267 3.718 50 0 EHAAMO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Oc3ccccc3)o2)CN1 ZINC000195556515 564123799 /nfs/dbraw/zinc/12/37/99/564123799.db2.gz KAAQNURZZMGKBH-CRAIPNDOSA-N 1 1 340.423 3.563 50 0 EHAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000252679911 564124907 /nfs/dbraw/zinc/12/49/07/564124907.db2.gz SWOJKJVUWHYUIQ-NSHGMRRFSA-N 1 1 328.500 3.873 50 0 EHAAMO COc1ccc([C@@H]2[C@H](CN[C@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983382 564143785 /nfs/dbraw/zinc/14/37/85/564143785.db2.gz UEJVSQZGWMLIJN-PTSWNOGYSA-N 1 1 343.446 3.573 50 0 EHAAMO COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)c3ccc(F)cn3)CCN2C)cc1 ZINC000095983382 564143786 /nfs/dbraw/zinc/14/37/86/564143786.db2.gz UEJVSQZGWMLIJN-PTSWNOGYSA-N 1 1 343.446 3.573 50 0 EHAAMO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000095987836 564143978 /nfs/dbraw/zinc/14/39/78/564143978.db2.gz PLGWZWRMQMORKO-CYBMUJFWSA-N 1 1 336.863 3.584 50 0 EHAAMO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc2ccccc2[nH]c1=O ZINC000097201162 564149540 /nfs/dbraw/zinc/14/95/40/564149540.db2.gz XEUAPFLTQIADQT-UHFFFAOYSA-N 1 1 333.844 3.660 50 0 EHAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc2ccccc2[nH]c1=O ZINC000097201162 564149541 /nfs/dbraw/zinc/14/95/41/564149541.db2.gz XEUAPFLTQIADQT-UHFFFAOYSA-N 1 1 333.844 3.660 50 0 EHAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)no1 ZINC000057327708 564153594 /nfs/dbraw/zinc/15/35/94/564153594.db2.gz ZECRKFIZJPENRW-FQEVSTJZSA-N 1 1 335.407 3.609 50 0 EHAAMO O=C(C[NH2+]Cc1ccccc1F)NCc1ccc(Cl)cc1Cl ZINC000057369842 564153788 /nfs/dbraw/zinc/15/37/88/564153788.db2.gz AXBJLEHUYKPWLL-UHFFFAOYSA-N 1 1 341.213 3.539 50 0 EHAAMO O=c1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)nc2sccn21 ZINC000057871932 564156333 /nfs/dbraw/zinc/15/63/33/564156333.db2.gz DHJCGCTXRYBIIS-MRXNPFEDSA-N 1 1 331.485 3.691 50 0 EHAAMO CCC(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000057894577 564156471 /nfs/dbraw/zinc/15/64/71/564156471.db2.gz UMYRHPFGZTUEJL-IBGZPJMESA-N 1 1 339.439 3.667 50 0 EHAAMO CCC(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000057894577 564156472 /nfs/dbraw/zinc/15/64/72/564156472.db2.gz UMYRHPFGZTUEJL-IBGZPJMESA-N 1 1 339.439 3.667 50 0 EHAAMO COc1ccccc1CNC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127339 564162912 /nfs/dbraw/zinc/16/29/12/564162912.db2.gz OARYYXCWXPFWNZ-UHFFFAOYSA-N 1 1 348.446 3.597 50 0 EHAAMO COc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127339 564162913 /nfs/dbraw/zinc/16/29/13/564162913.db2.gz OARYYXCWXPFWNZ-UHFFFAOYSA-N 1 1 348.446 3.597 50 0 EHAAMO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214167 564163576 /nfs/dbraw/zinc/16/35/76/564163576.db2.gz TXOXNHISSUNUSE-OAHLLOKOSA-N 1 1 344.430 3.534 50 0 EHAAMO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214167 564163577 /nfs/dbraw/zinc/16/35/77/564163577.db2.gz TXOXNHISSUNUSE-OAHLLOKOSA-N 1 1 344.430 3.534 50 0 EHAAMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1Cl ZINC000069743697 564171933 /nfs/dbraw/zinc/17/19/33/564171933.db2.gz NFRBIFOYKWPXFF-QGZVFWFLSA-N 1 1 342.870 3.634 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2nc(-c3ccncc3)no2)C(C)C)s1 ZINC000069771271 564172065 /nfs/dbraw/zinc/17/20/65/564172065.db2.gz QHCDOFJFWNOFOY-UHFFFAOYSA-N 1 1 328.441 3.912 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2nc(-c3ccncc3)no2)C(C)C)s1 ZINC000069771271 564172066 /nfs/dbraw/zinc/17/20/66/564172066.db2.gz QHCDOFJFWNOFOY-UHFFFAOYSA-N 1 1 328.441 3.912 50 0 EHAAMO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)c(C)n1C(C)C ZINC000069873445 564172631 /nfs/dbraw/zinc/17/26/31/564172631.db2.gz QDNIOLUUSGBSPK-QGZVFWFLSA-N 1 1 328.460 3.668 50 0 EHAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2nc(-c3ccco3)oc2C)n1 ZINC000070004181 564173242 /nfs/dbraw/zinc/17/32/42/564173242.db2.gz BYDIHHBSBVACLI-MRXNPFEDSA-N 1 1 340.427 3.721 50 0 EHAAMO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000071836983 564175796 /nfs/dbraw/zinc/17/57/96/564175796.db2.gz KERWCJQBRKWNAN-CQSZACIVSA-N 1 1 340.254 3.903 50 0 EHAAMO c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875206 564176247 /nfs/dbraw/zinc/17/62/47/564176247.db2.gz HKVXPHCRTVUJKS-HNNXBMFYSA-N 1 1 328.441 3.654 50 0 EHAAMO c1cnn(C[C@@H]2CCCC[N@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875206 564176248 /nfs/dbraw/zinc/17/62/48/564176248.db2.gz HKVXPHCRTVUJKS-HNNXBMFYSA-N 1 1 328.441 3.654 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000071878771 564176327 /nfs/dbraw/zinc/17/63/27/564176327.db2.gz CWOJQBHTIBLETN-LJQANCHMSA-N 1 1 335.455 3.560 50 0 EHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000169781498 1032645194 /nfs/dbraw/zinc/64/51/94/1032645194.db2.gz SCHRVDPDUUGFJM-HNNXBMFYSA-N 1 1 338.854 3.560 50 0 EHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000169781494 1032646274 /nfs/dbraw/zinc/64/62/74/1032646274.db2.gz YZQOTNDMERVXHR-HNNXBMFYSA-N 1 1 338.854 3.560 50 0 EHAAMO Cc1cnc(C[C@@H]2CCC[N@@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788073 1032653202 /nfs/dbraw/zinc/65/32/02/1032653202.db2.gz TWNHZGPOBJHDGS-INIZCTEOSA-N 1 1 332.517 3.992 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599297461 1028734993 /nfs/dbraw/zinc/73/49/93/1028734993.db2.gz RBNCVXJVJPYDED-KRWDZBQOSA-N 1 1 340.423 3.910 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599297461 1028735010 /nfs/dbraw/zinc/73/50/10/1028735010.db2.gz RBNCVXJVJPYDED-KRWDZBQOSA-N 1 1 340.423 3.910 50 0 EHAAMO CC(C)c1ccc([C@H](NC(=O)c2csc(C[NH3+])n2)C(C)C)cc1 ZINC000178343757 1038369947 /nfs/dbraw/zinc/36/99/47/1038369947.db2.gz QUSPGRXQABRZMF-QGZVFWFLSA-N 1 1 331.485 3.852 50 0 EHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528343197 1127671041 /nfs/dbraw/zinc/67/10/41/1127671041.db2.gz BZVDPCJKZDKDMA-AWEZNQCLSA-N 1 1 329.831 3.586 50 0 EHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528343197 1127671042 /nfs/dbraw/zinc/67/10/42/1127671042.db2.gz BZVDPCJKZDKDMA-AWEZNQCLSA-N 1 1 329.831 3.586 50 0 EHAAMO c1nc(N2CCCC2)sc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000059314154 1128372046 /nfs/dbraw/zinc/37/20/46/1128372046.db2.gz JUIURDQDANKFCW-QGZVFWFLSA-N 1 1 342.512 3.820 50 0 EHAAMO Cc1cccc(C2=CC[N@@H+](Cc3cc(-c4cnn(C)c4)no3)CC2)c1 ZINC000185046539 1120281548 /nfs/dbraw/zinc/28/15/48/1120281548.db2.gz PGNVQOCAOVDJFN-UHFFFAOYSA-N 1 1 334.423 3.673 50 0 EHAAMO Cc1ccc(NC(=O)[C@@H]2OCC[N@H+](C3CC3)[C@H]2c2ccccc2)cc1 ZINC000581801804 1132362677 /nfs/dbraw/zinc/36/26/77/1132362677.db2.gz LPBPRIAOWKBOPG-VQTJNVASSA-N 1 1 336.435 3.538 50 0 EHAAMO Cc1ccc(NC(=O)[C@@H]2OCC[N@@H+](C3CC3)[C@H]2c2ccccc2)cc1 ZINC000581801804 1132362683 /nfs/dbraw/zinc/36/26/83/1132362683.db2.gz LPBPRIAOWKBOPG-VQTJNVASSA-N 1 1 336.435 3.538 50 0 EHAAMO Cc1cnc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816554 1132372733 /nfs/dbraw/zinc/37/27/33/1132372733.db2.gz ZFJPFRIEGGPMKD-HXUWFJFHSA-N 1 1 332.451 3.624 50 0 EHAAMO Cn1cccc1C[N@H+]1CCCC[C@@H]1CCn1cc(-c2ccccc2)nn1 ZINC000581818615 1132374094 /nfs/dbraw/zinc/37/40/94/1132374094.db2.gz KBBXCMVDOHOZKM-LJQANCHMSA-N 1 1 349.482 3.728 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@H](Cn3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581813629 1132376969 /nfs/dbraw/zinc/37/69/69/1132376969.db2.gz AEGILTFLJNQPOV-KRWDZBQOSA-N 1 1 336.439 3.677 50 0 EHAAMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 ZINC000585092636 1136994161 /nfs/dbraw/zinc/99/41/61/1136994161.db2.gz HQWMEICXIJVTKT-JCQPUDPBSA-N 1 1 349.422 3.898 50 0 EHAAMO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)C2 ZINC000192442657 1137455722 /nfs/dbraw/zinc/45/57/22/1137455722.db2.gz MYARRQSIXCAQCE-SFHVURJKSA-N 1 1 342.458 3.543 50 0 EHAAMO Clc1cccc(Cl)c1-c1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000193153717 1137457608 /nfs/dbraw/zinc/45/76/08/1137457608.db2.gz DZOYYWZBQUQEQO-SECBINFHSA-N 1 1 335.194 3.970 50 0 EHAAMO Cn1cc(C[N@H+]2CC[C@H](OC(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000952845156 1137482282 /nfs/dbraw/zinc/48/22/82/1137482282.db2.gz CRJXKTHZLKVQDH-AWEZNQCLSA-N 1 1 347.365 3.647 50 0 EHAAMO CSc1ncc(C[N@@H+](C)CCCOc2ccccc2Cl)cn1 ZINC000952977608 1137484751 /nfs/dbraw/zinc/48/47/51/1137484751.db2.gz YCLYPLAYJVJDEU-UHFFFAOYSA-N 1 1 337.876 3.753 50 0 EHAAMO O=C(/C=C\c1sc2ccccc2c1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000222143120 1138245356 /nfs/dbraw/zinc/24/53/56/1138245356.db2.gz DFDLRSWTKGRVRL-QDZRJHCZSA-N 1 1 346.883 3.921 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745167 210266631 /nfs/dbraw/zinc/26/66/31/210266631.db2.gz AWJYQQXYNYSORH-QFIPXVFZSA-N 1 1 348.490 3.792 50 0 EHAAMO COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)ccc1F ZINC000055053102 214268316 /nfs/dbraw/zinc/26/83/16/214268316.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 1 1 346.490 3.922 50 0 EHAAMO CCn1nc(C)c(C[N@@H+](CCOC)Cc2c[nH]c3ccccc23)c1C ZINC000055098943 214271961 /nfs/dbraw/zinc/27/19/61/214271961.db2.gz JZNZNTARIUNNSY-UHFFFAOYSA-N 1 1 340.471 3.650 50 0 EHAAMO COCc1cc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)ccc1OC ZINC000055309192 214304970 /nfs/dbraw/zinc/30/49/70/214304970.db2.gz DLQJNIHBZUTURM-INIZCTEOSA-N 1 1 328.456 3.608 50 0 EHAAMO Oc1cccc2ccc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)nc12 ZINC000055402631 214319429 /nfs/dbraw/zinc/31/94/29/214319429.db2.gz GUNFECCZEYAEBN-IBGZPJMESA-N 1 1 349.434 3.517 50 0 EHAAMO Oc1cccc2ccc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)nc12 ZINC000055402631 214319431 /nfs/dbraw/zinc/31/94/31/214319431.db2.gz GUNFECCZEYAEBN-IBGZPJMESA-N 1 1 349.434 3.517 50 0 EHAAMO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151310 529682033 /nfs/dbraw/zinc/68/20/33/529682033.db2.gz IHLXVUHEUKUVGG-HNAYVOBHSA-N 1 1 336.907 3.882 50 0 EHAAMO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151310 529682035 /nfs/dbraw/zinc/68/20/35/529682035.db2.gz IHLXVUHEUKUVGG-HNAYVOBHSA-N 1 1 336.907 3.882 50 0 EHAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](C)O ZINC000004354113 210177178 /nfs/dbraw/zinc/17/71/78/210177178.db2.gz BYJNPYRDHROHFN-QGZVFWFLSA-N 1 1 332.463 3.904 50 0 EHAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](CC)Cc2ccccc2)cc1 ZINC000004320423 210170801 /nfs/dbraw/zinc/17/08/01/210170801.db2.gz ALMAYIPNCBOXGW-IBGZPJMESA-N 1 1 341.451 3.541 50 0 EHAAMO Cc1ccccc1-n1nnnc1C1([NH2+]Cc2ccccc2)CCCC1 ZINC000046078030 213779081 /nfs/dbraw/zinc/77/90/81/213779081.db2.gz NSNPEDNYWJIPTE-UHFFFAOYSA-N 1 1 333.439 3.530 50 0 EHAAMO CCOP(=O)(OCC)OCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000004000058 210099032 /nfs/dbraw/zinc/09/90/32/210099032.db2.gz RPYOYJSKUKGJFB-MRXNPFEDSA-N 1 1 342.376 3.806 50 0 biogenic EHAAMO C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000102961991 219244101 /nfs/dbraw/zinc/24/41/01/219244101.db2.gz APQVXJNBJOYYKX-HZPDHXFCSA-N 1 1 331.481 3.734 50 0 EHAAMO C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C)C1 ZINC000102961991 219244103 /nfs/dbraw/zinc/24/41/03/219244103.db2.gz APQVXJNBJOYYKX-HZPDHXFCSA-N 1 1 331.481 3.734 50 0 EHAAMO CCCOCC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067446567 215147436 /nfs/dbraw/zinc/14/74/36/215147436.db2.gz LWEPNQTVMJDLCQ-UHFFFAOYSA-N 1 1 341.451 3.989 50 0 EHAAMO CCCOCC[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067446567 215147439 /nfs/dbraw/zinc/14/74/39/215147439.db2.gz LWEPNQTVMJDLCQ-UHFFFAOYSA-N 1 1 341.451 3.989 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1)c1ccsc1 ZINC000067714479 215193023 /nfs/dbraw/zinc/19/30/23/215193023.db2.gz VRIUTNAQSQNQJM-CQSZACIVSA-N 1 1 334.872 3.653 50 0 EHAAMO Cc1cc(C)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-n2cccn2)c1 ZINC000067754806 215203489 /nfs/dbraw/zinc/20/34/89/215203489.db2.gz WCLDWJKTRADDMZ-KRWDZBQOSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-n2cccn2)c1 ZINC000067754806 215203491 /nfs/dbraw/zinc/20/34/91/215203491.db2.gz WCLDWJKTRADDMZ-KRWDZBQOSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1cc(C)c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-n2cccn2)c1 ZINC000067754806 215203496 /nfs/dbraw/zinc/20/34/96/215203496.db2.gz WCLDWJKTRADDMZ-KRWDZBQOSA-N 1 1 335.455 3.592 50 0 EHAAMO Cc1ccc2cc(C[N@@H+](Cc3cccc(O)c3)C3CC3)c(=O)[nH]c2c1 ZINC000067955306 215259169 /nfs/dbraw/zinc/25/91/69/215259169.db2.gz BSZVJCFQDJRHCG-UHFFFAOYSA-N 1 1 334.419 3.707 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCc2ccccc21 ZINC000067962589 215260124 /nfs/dbraw/zinc/26/01/24/215260124.db2.gz DWAZYBOAAFGMJH-GOSISDBHSA-N 1 1 338.455 3.556 50 0 EHAAMO O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cccnc1Cl ZINC000068333645 215300694 /nfs/dbraw/zinc/30/06/94/215300694.db2.gz QNVSVXQLZQGQJO-QGZVFWFLSA-N 1 1 341.842 3.825 50 0 EHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)N[C@H](C)CC)Cc2ccccc2O1 ZINC000104359329 219379416 /nfs/dbraw/zinc/37/94/16/219379416.db2.gz MPTABDQFUILGFO-AEFFLSMTSA-N 1 1 332.488 3.745 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H](C)c3ccc(Cl)cc3)nc12 ZINC000040063179 213256880 /nfs/dbraw/zinc/25/68/80/213256880.db2.gz RYBCVOMGVBIYCD-CQSZACIVSA-N 1 1 341.842 3.849 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)NCc1cccc2ccccc21)c1ccco1 ZINC000038630184 213218381 /nfs/dbraw/zinc/21/83/81/213218381.db2.gz FAKVWWKKPLPOIZ-GOSISDBHSA-N 1 1 337.423 3.535 50 0 EHAAMO COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100074 213067838 /nfs/dbraw/zinc/06/78/38/213067838.db2.gz FJJUEBHXPWYQSB-LJQANCHMSA-N 1 1 343.467 3.593 50 0 EHAAMO COc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1C)C(C)C ZINC000036102841 213066757 /nfs/dbraw/zinc/06/67/57/213066757.db2.gz BIDRJUMWRVTJJC-LJQANCHMSA-N 1 1 343.467 3.654 50 0 EHAAMO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C2CC2)c1 ZINC000036098824 213065472 /nfs/dbraw/zinc/06/54/72/213065472.db2.gz QLOGVRUFOYEYKI-HXUWFJFHSA-N 1 1 325.452 3.708 50 0 EHAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C2CC2)c(C)c1 ZINC000036098945 213064779 /nfs/dbraw/zinc/06/47/79/213064779.db2.gz IXKVFYLLLAFLSO-HXUWFJFHSA-N 1 1 325.452 3.708 50 0 EHAAMO CC[C@@H](C)[N@H+](Cc1ccccc1C)C[C@H](O)COCc1ccco1 ZINC000036104505 213068413 /nfs/dbraw/zinc/06/84/13/213068413.db2.gz GBOUWFLOHUVCRW-MJGOQNOKSA-N 1 1 331.456 3.766 50 0 EHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104293 213068607 /nfs/dbraw/zinc/06/86/07/213068607.db2.gz ZAWLFBMECSTKRB-OAQYLSRUSA-N 1 1 345.458 3.861 50 0 EHAAMO c1cncc(CO[C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)c1 ZINC000072152871 216041232 /nfs/dbraw/zinc/04/12/32/216041232.db2.gz VDDPABGQTFWKMR-HXUWFJFHSA-N 1 1 333.435 3.811 50 0 EHAAMO CC[C@H]1CN(Cc2cc(F)c(OC)c(Cl)c2)CC[N@H+]1C(C)C ZINC000072166889 216057797 /nfs/dbraw/zinc/05/77/97/216057797.db2.gz ODPSNGHFZKCCEL-AWEZNQCLSA-N 1 1 328.859 3.792 50 0 EHAAMO COc1coc(C[N@H+]2CCC[C@H](CCc3ccccc3C)C2)cc1=O ZINC000072163629 216051555 /nfs/dbraw/zinc/05/15/55/216051555.db2.gz KSNASBLXUXOQLS-QGZVFWFLSA-N 1 1 341.451 3.802 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCc2ccccn2)C1 ZINC000072253228 216083482 /nfs/dbraw/zinc/08/34/82/216083482.db2.gz LGHWUTBFOONZFZ-GOSISDBHSA-N 1 1 340.471 3.588 50 0 EHAAMO CCCOc1ccccc1NC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000072309816 216145878 /nfs/dbraw/zinc/14/58/78/216145878.db2.gz JZQDSGTVWVNQRQ-INIZCTEOSA-N 1 1 333.476 3.671 50 0 EHAAMO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cnc2ccccc2n1 ZINC000072421178 216208784 /nfs/dbraw/zinc/20/87/84/216208784.db2.gz WLFPVOLAKLDFEO-UHFFFAOYSA-N 1 1 349.478 3.965 50 0 EHAAMO CC[N@H+](Cc1ccc(Cl)s1)Cn1c(CO)nc2ccccc21 ZINC000023466434 212378381 /nfs/dbraw/zinc/37/83/81/212378381.db2.gz DLNYCLKKVNNYDL-UHFFFAOYSA-N 1 1 335.860 3.723 50 0 EHAAMO c1ccc2c(c1)cccc2C[C@H]1C[N@H+](C2CCSCC2)CCO1 ZINC000023339935 212369059 /nfs/dbraw/zinc/36/90/59/212369059.db2.gz RYCHNRPLIGGQMR-IBGZPJMESA-N 1 1 327.493 3.979 50 0 EHAAMO Cc1cc(CN2CC[NH+](Cc3csc4ccccc34)CC2)on1 ZINC000022799142 212324574 /nfs/dbraw/zinc/32/45/74/212324574.db2.gz ZFOFFOUEBFIZDK-UHFFFAOYSA-N 1 1 327.453 3.516 50 0 EHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000022333552 212291327 /nfs/dbraw/zinc/29/13/27/212291327.db2.gz VHKOMGTYSSCWJC-AWEZNQCLSA-N 1 1 345.393 3.876 50 0 EHAAMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2OC(C)C)C1 ZINC000215954268 241157487 /nfs/dbraw/zinc/15/74/87/241157487.db2.gz ORORABRNULBQAH-CQSZACIVSA-N 1 1 341.879 3.994 50 0 EHAAMO CC[N@@H+](Cc1cnc(-c2ccccc2OC)s1)C1CCOCC1 ZINC000216200655 241174188 /nfs/dbraw/zinc/17/41/88/241174188.db2.gz PQJMQHFFJSFFRO-UHFFFAOYSA-N 1 1 332.469 3.820 50 0 EHAAMO Fc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cccc4nonc43)nc2c1 ZINC000216472521 241195335 /nfs/dbraw/zinc/19/53/35/241195335.db2.gz KSCSJEBTWSCOHG-INIZCTEOSA-N 1 1 337.358 3.575 50 0 EHAAMO Fc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cccc4nonc43)nc2c1 ZINC000216472521 241195340 /nfs/dbraw/zinc/19/53/40/241195340.db2.gz KSCSJEBTWSCOHG-INIZCTEOSA-N 1 1 337.358 3.575 50 0 EHAAMO CCOC[C@H]1CCC[N@H+]1Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215414325 241125210 /nfs/dbraw/zinc/12/52/10/241125210.db2.gz YVNDAHHRLHXVKM-OAHLLOKOSA-N 1 1 339.439 3.834 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021719905 212244000 /nfs/dbraw/zinc/24/40/00/212244000.db2.gz KULXTWXYTIJPJT-GOSISDBHSA-N 1 1 338.411 3.719 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021719905 212244003 /nfs/dbraw/zinc/24/40/03/212244003.db2.gz KULXTWXYTIJPJT-GOSISDBHSA-N 1 1 338.411 3.719 50 0 EHAAMO Cc1cc2oc(=O)cc(CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204480 /nfs/dbraw/zinc/20/44/80/242204480.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 1 1 348.874 3.669 50 0 EHAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204485 /nfs/dbraw/zinc/20/44/85/242204485.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 1 1 348.874 3.669 50 0 EHAAMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204490 /nfs/dbraw/zinc/20/44/90/242204490.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 1 1 348.874 3.669 50 0 EHAAMO OCCC[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccnc1 ZINC000243901809 243031706 /nfs/dbraw/zinc/03/17/06/243031706.db2.gz BEFZAXHENGAORL-UHFFFAOYSA-N 1 1 339.464 3.590 50 0 EHAAMO OCCC[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccnc1 ZINC000243901809 243031711 /nfs/dbraw/zinc/03/17/11/243031711.db2.gz BEFZAXHENGAORL-UHFFFAOYSA-N 1 1 339.464 3.590 50 0 EHAAMO OCCC[N@H+](Cc1cccnc1)Cc1ccc2cccc(Cl)c2n1 ZINC000243901252 243031994 /nfs/dbraw/zinc/03/19/94/243031994.db2.gz BALTVMRNDCJNAI-UHFFFAOYSA-N 1 1 341.842 3.668 50 0 EHAAMO OCCC[N@@H+](Cc1cccnc1)Cc1ccc2cccc(Cl)c2n1 ZINC000243901252 243032000 /nfs/dbraw/zinc/03/20/00/243032000.db2.gz BALTVMRNDCJNAI-UHFFFAOYSA-N 1 1 341.842 3.668 50 0 EHAAMO Cc1ccc(C2(O)CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000244788016 243083280 /nfs/dbraw/zinc/08/32/80/243083280.db2.gz QHUOETIUBOAKNV-UHFFFAOYSA-N 1 1 349.434 3.529 50 0 EHAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816948 243085503 /nfs/dbraw/zinc/08/55/03/243085503.db2.gz SRQFRJOKQWKSEM-MRXNPFEDSA-N 1 1 328.460 3.835 50 0 EHAAMO Cc1ccc(-c2nc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)c(C)o2)o1 ZINC000020784872 212172487 /nfs/dbraw/zinc/17/24/87/212172487.db2.gz HWJFCWFORVSKRA-INIZCTEOSA-N 1 1 338.407 3.987 50 0 EHAAMO Cc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3Cc4ccccc4O3)c(C)o2)o1 ZINC000020784872 212172492 /nfs/dbraw/zinc/17/24/92/212172492.db2.gz HWJFCWFORVSKRA-INIZCTEOSA-N 1 1 338.407 3.987 50 0 EHAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@H+]1CC1CCCCC1 ZINC000020202078 212111191 /nfs/dbraw/zinc/11/11/91/212111191.db2.gz GXLREAWVTLVBTM-JOCHJYFZSA-N 1 1 344.543 3.568 50 0 EHAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000019835922 212074675 /nfs/dbraw/zinc/07/46/75/212074675.db2.gz KBZKVFLNOHXJCH-QGZVFWFLSA-N 1 1 336.414 3.990 50 0 EHAAMO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019798404 212069872 /nfs/dbraw/zinc/06/98/72/212069872.db2.gz COMBSXCWDNHHOG-UHFFFAOYSA-N 1 1 336.479 3.942 50 0 EHAAMO Cc1cccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)c1 ZINC000019759979 212062144 /nfs/dbraw/zinc/06/21/44/212062144.db2.gz VMSSUWCGOQVRHH-UHFFFAOYSA-N 1 1 345.446 3.598 50 0 EHAAMO COc1nc(C)cc(C)c1C[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080333029 217299166 /nfs/dbraw/zinc/29/91/66/217299166.db2.gz CSUHVNUPVPQVCP-UHFFFAOYSA-N 1 1 340.452 3.515 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)n(-c2ccccc2)n1 ZINC000012751375 211445918 /nfs/dbraw/zinc/44/59/18/211445918.db2.gz QAEIAGBPKDXIQK-QGZVFWFLSA-N 1 1 348.450 3.812 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)n(-c2ccccc2)n1 ZINC000012751375 211445923 /nfs/dbraw/zinc/44/59/23/211445923.db2.gz QAEIAGBPKDXIQK-QGZVFWFLSA-N 1 1 348.450 3.812 50 0 EHAAMO COCC[N@@H+](Cc1nc(-c2cccc(OC)c2OC)oc1C)C(C)C ZINC000012430120 211378113 /nfs/dbraw/zinc/37/81/13/211378113.db2.gz CMZHKHWKLAYYGB-UHFFFAOYSA-N 1 1 348.443 3.524 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012170169 211310618 /nfs/dbraw/zinc/31/06/18/211310618.db2.gz VTOTZHZPJYFTJL-KKEHIWFPSA-N 1 1 349.559 3.948 50 0 EHAAMO O=C1CC[N@H+](C[C@H]2CC=CCC2)CCN1Cc1cccc(Cl)c1 ZINC000012098445 211290945 /nfs/dbraw/zinc/29/09/45/211290945.db2.gz ICHMNWRKRSNYAP-INIZCTEOSA-N 1 1 332.875 3.731 50 0 EHAAMO COC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)oc1C 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564025316 /nfs/dbraw/zinc/02/53/16/564025316.db2.gz AMJPXWUZBPWAJA-IEBWSBKVSA-N 1 1 335.488 3.608 50 0 EHAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000106905567 564026724 /nfs/dbraw/zinc/02/67/24/564026724.db2.gz STSGDFRHXOUETM-HZPDHXFCSA-N 1 1 335.467 3.649 50 0 EHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2F)c1 ZINC000048235839 564030182 /nfs/dbraw/zinc/03/01/82/564030182.db2.gz UGHNMSXPWFTCHD-MOPGFXCFSA-N 1 1 345.414 3.713 50 0 EHAAMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(Cl)c2cccnc12 ZINC000048366262 564031540 /nfs/dbraw/zinc/03/15/40/564031540.db2.gz RIBHFWVMMWUVDF-UHFFFAOYSA-N 1 1 339.826 3.959 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(Cl)c2cccnc12 ZINC000048366262 564031541 /nfs/dbraw/zinc/03/15/41/564031541.db2.gz RIBHFWVMMWUVDF-UHFFFAOYSA-N 1 1 339.826 3.959 50 0 EHAAMO Cc1ncsc1CC[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000215685713 564033631 /nfs/dbraw/zinc/03/36/31/564033631.db2.gz LTHMKBFFFMVLGA-UHFFFAOYSA-N 1 1 326.469 3.620 50 0 EHAAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858606 564052299 /nfs/dbraw/zinc/05/22/99/564052299.db2.gz VOGAZANACSOPIM-KRWDZBQOSA-N 1 1 339.435 3.901 50 0 EHAAMO Cc1cccc(CC(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000252489041 564053411 /nfs/dbraw/zinc/05/34/11/564053411.db2.gz JDXWGHZXQZULTH-FQEVSTJZSA-N 1 1 336.479 3.566 50 0 EHAAMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000252489432 564053445 /nfs/dbraw/zinc/05/34/45/564053445.db2.gz JRAOOIZSHRESHT-OAHLLOKOSA-N 1 1 338.879 3.644 50 0 EHAAMO Cc1ccc2[nH]c(CN3CC[N@H+](C)[C@@H](c4ccccc4)C3)nc2c1C ZINC000252509466 564053536 /nfs/dbraw/zinc/05/35/36/564053536.db2.gz YOHAVCGTAZYBND-LJQANCHMSA-N 1 1 334.467 3.668 50 0 EHAAMO Cc1ccc2nc(CN3CC[N@@H+](C)[C@@H](c4ccccc4)C3)[nH]c2c1C ZINC000252509466 564053538 /nfs/dbraw/zinc/05/35/38/564053538.db2.gz YOHAVCGTAZYBND-LJQANCHMSA-N 1 1 334.467 3.668 50 0 EHAAMO Cc1ccc2nc(CN3CC[N@H+](C)[C@@H](c4ccccc4)C3)[nH]c2c1C ZINC000252509466 564053539 /nfs/dbraw/zinc/05/35/39/564053539.db2.gz YOHAVCGTAZYBND-LJQANCHMSA-N 1 1 334.467 3.668 50 0 EHAAMO Cc1nc(C)c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182845839 564056401 /nfs/dbraw/zinc/05/64/01/564056401.db2.gz AZLPBRGSSQTWQE-GFCCVEGCSA-N 1 1 344.406 3.812 50 0 EHAAMO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](C)CC2)no1 ZINC000063308513 564057063 /nfs/dbraw/zinc/05/70/63/564057063.db2.gz PIMXOBBSCTZDSA-KSSFIOAISA-N 1 1 327.428 3.785 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3)C(C)(C)C)nc12 ZINC000075110123 564080292 /nfs/dbraw/zinc/08/02/92/564080292.db2.gz GZJJUOSNWLNMNW-UHFFFAOYSA-N 1 1 335.451 3.804 50 0 EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531174 564087090 /nfs/dbraw/zinc/08/70/90/564087090.db2.gz NDAWUPLIPPNPGL-OLJMEDMQSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531174 564087091 /nfs/dbraw/zinc/08/70/91/564087091.db2.gz NDAWUPLIPPNPGL-OLJMEDMQSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO COCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000089420460 564090537 /nfs/dbraw/zinc/09/05/37/564090537.db2.gz UXMSTPQEIWXNHT-INIZCTEOSA-N 1 1 343.496 3.725 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2c1C ZINC000007007388 564103128 /nfs/dbraw/zinc/10/31/28/564103128.db2.gz TUTLXQVNXNEMPR-AWEZNQCLSA-N 1 1 327.472 3.779 50 0 EHAAMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000065497466 564106507 /nfs/dbraw/zinc/10/65/07/564106507.db2.gz WOJMXVSOJDQDAG-SGZOKEPCSA-N 1 1 348.490 3.740 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)NCC1CCCC1 ZINC000065547727 564107357 /nfs/dbraw/zinc/10/73/57/564107357.db2.gz QLKLBJAEJJWRQH-HKUYNNGSSA-N 1 1 327.472 3.503 50 0 EHAAMO Cc1nc(C[NH+]2CCC(C(=O)NCCC3CCCCC3)CC2)cs1 ZINC000065575590 564107623 /nfs/dbraw/zinc/10/76/23/564107623.db2.gz RYGQGNPETZTAKJ-UHFFFAOYSA-N 1 1 349.544 3.750 50 0 EHAAMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000170593901 564108965 /nfs/dbraw/zinc/10/89/65/564108965.db2.gz MAAIKHLXNJLXON-HNNXBMFYSA-N 1 1 335.373 3.706 50 0 EHAAMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610756 564109754 /nfs/dbraw/zinc/10/97/54/564109754.db2.gz JHRHFWSLCYRKPS-UTKZUKDTSA-N 1 1 347.462 3.885 50 0 EHAAMO C[N@H+](Cc1csc2ccccc12)C[C@@H](O)COCc1ccco1 ZINC000076199948 564116248 /nfs/dbraw/zinc/11/62/48/564116248.db2.gz NPLCOKUEAGRYPK-OAHLLOKOSA-N 1 1 331.437 3.504 50 0 EHAAMO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000134799747 564117657 /nfs/dbraw/zinc/11/76/57/564117657.db2.gz HWMFBHKUIPSIAH-CVEARBPZSA-N 1 1 347.434 3.594 50 0 EHAAMO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000134799747 564117658 /nfs/dbraw/zinc/11/76/58/564117658.db2.gz HWMFBHKUIPSIAH-CVEARBPZSA-N 1 1 347.434 3.594 50 0 EHAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000252428051 564118377 /nfs/dbraw/zinc/11/83/77/564118377.db2.gz OTTUUPAQKHWADJ-XYEHWOGUSA-N 1 1 345.527 3.883 50 0 EHAAMO CC1(C)[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000252510675 564120065 /nfs/dbraw/zinc/12/00/65/564120065.db2.gz ZOAJJSZDEJSXCZ-JRGCBEDISA-N 1 1 342.527 3.659 50 0 EHAAMO C[C@]12CC3CC(C(=O)N[C@@H]4CC[N@H+]5CCC[C@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512645 564120167 /nfs/dbraw/zinc/12/01/67/564120167.db2.gz UDAXJCVJNFABGB-ZDAGSOFHSA-N 1 1 330.516 3.726 50 0 EHAAMO COc1ccc2c(C[N@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc(=O)oc2c1 ZINC000065968586 564122642 /nfs/dbraw/zinc/12/26/42/564122642.db2.gz DAGHCLWWGMWIFG-KWOWKCNFSA-N 1 1 339.435 3.812 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cccc(-c2ncco2)c1 ZINC000253370662 564130314 /nfs/dbraw/zinc/13/03/14/564130314.db2.gz ULGNNHDZKHFOFQ-ATZDWAIDSA-N 1 1 341.455 3.643 50 0 EHAAMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000253393217 564130492 /nfs/dbraw/zinc/13/04/92/564130492.db2.gz HSYBYCKEFDKHPQ-GOSISDBHSA-N 1 1 347.503 3.502 50 0 EHAAMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000253393220 564130497 /nfs/dbraw/zinc/13/04/97/564130497.db2.gz HSYBYCKEFDKHPQ-SFHVURJKSA-N 1 1 347.503 3.502 50 0 EHAAMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccsc2)C2CCCC2)C1 ZINC000584892851 564131593 /nfs/dbraw/zinc/13/15/93/564131593.db2.gz RREBPCAWVPWJGG-MRXNPFEDSA-N 1 1 349.544 3.934 50 0 EHAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000225421589 564134589 /nfs/dbraw/zinc/13/45/89/564134589.db2.gz ZIAOWARRTKNEFG-FZKQIMNGSA-N 1 1 345.874 3.816 50 0 biogenic EHAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000095466076 564141013 /nfs/dbraw/zinc/14/10/13/564141013.db2.gz BRMDUIIHVCEWOR-QMTHXVAHSA-N 1 1 328.243 3.551 50 0 EHAAMO Cc1ncc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 ZINC000095954909 564142503 /nfs/dbraw/zinc/14/25/03/564142503.db2.gz QRLBGJFZDVIPCA-LSDHHAIUSA-N 1 1 343.279 3.848 50 0 EHAAMO Cc1ncc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 ZINC000095954909 564142504 /nfs/dbraw/zinc/14/25/04/564142504.db2.gz QRLBGJFZDVIPCA-LSDHHAIUSA-N 1 1 343.279 3.848 50 0 EHAAMO Fc1ccc(Oc2ccnc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000095954802 564142508 /nfs/dbraw/zinc/14/25/08/564142508.db2.gz UIDBAZQDIMMZOD-ZDUSSCGKSA-N 1 1 339.374 3.515 50 0 EHAAMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000096012988 564144772 /nfs/dbraw/zinc/14/47/72/564144772.db2.gz QOPNDUADGSDDQT-OAHLLOKOSA-N 1 1 332.488 3.670 50 0 EHAAMO COc1ccc2oc([C@@H](C)[NH2+]Cc3cn4cccnc4n3)c(C)c2c1 ZINC000096014086 564144857 /nfs/dbraw/zinc/14/48/57/564144857.db2.gz ARWXWIKAOSONFP-CYBMUJFWSA-N 1 1 336.395 3.643 50 0 EHAAMO CCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)[nH+]2)cc1 ZINC000021794248 564148277 /nfs/dbraw/zinc/14/82/77/564148277.db2.gz TZDFSQPWSNBDOF-UHFFFAOYSA-N 1 1 339.443 3.867 50 0 EHAAMO CCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)[nH+]c(C)n2)cc1 ZINC000021794248 564148278 /nfs/dbraw/zinc/14/82/78/564148278.db2.gz TZDFSQPWSNBDOF-UHFFFAOYSA-N 1 1 339.443 3.867 50 0 EHAAMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000028235232 564150804 /nfs/dbraw/zinc/15/08/04/564150804.db2.gz VGQRCMROXSYUNO-JXFKEZNVSA-N 1 1 338.451 3.537 50 0 EHAAMO O=c1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)nc2sccn21 ZINC000057871940 564156308 /nfs/dbraw/zinc/15/63/08/564156308.db2.gz DHJCGCTXRYBIIS-INIZCTEOSA-N 1 1 331.485 3.691 50 0 EHAAMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000058404518 564159019 /nfs/dbraw/zinc/15/90/19/564159019.db2.gz UFBVATCXSMAFGB-LPHOPBHVSA-N 1 1 340.467 3.717 50 0 EHAAMO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938165 564160264 /nfs/dbraw/zinc/16/02/64/564160264.db2.gz KPPIIFHRKDVPGW-YJBOKZPZSA-N 1 1 340.492 3.715 50 0 EHAAMO CC(C)(C)n1ncnc1-c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000670458605 564160780 /nfs/dbraw/zinc/16/07/80/564160780.db2.gz BUMFTGBNZXPSTP-UHFFFAOYSA-N 1 1 336.439 3.851 50 0 EHAAMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000008533240 564165608 /nfs/dbraw/zinc/16/56/08/564165608.db2.gz BOBNILHPUQNFFV-INIZCTEOSA-N 1 1 326.440 3.853 50 0 EHAAMO CCS[C@H]1CCCC[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000069664718 564171372 /nfs/dbraw/zinc/17/13/72/564171372.db2.gz SMEPPOHEPKYDOQ-KBPBESRZSA-N 1 1 331.485 3.592 50 0 EHAAMO CCS[C@H]1CCCC[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000069664718 564171373 /nfs/dbraw/zinc/17/13/73/564171373.db2.gz SMEPPOHEPKYDOQ-KBPBESRZSA-N 1 1 331.485 3.592 50 0 EHAAMO CC(C)(C)OCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069841722 564172418 /nfs/dbraw/zinc/17/24/18/564172418.db2.gz BMYWMSFTSYGKKE-INIZCTEOSA-N 1 1 347.434 3.752 50 0 EHAAMO CC(C)(C)OCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069841722 564172419 /nfs/dbraw/zinc/17/24/19/564172419.db2.gz BMYWMSFTSYGKKE-INIZCTEOSA-N 1 1 347.434 3.752 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000069928012 564172858 /nfs/dbraw/zinc/17/28/58/564172858.db2.gz CYYPRBGKNDTCBJ-YXJHDRRASA-N 1 1 341.455 3.704 50 0 EHAAMO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cc[nH]n2)c1 ZINC000070038006 564173466 /nfs/dbraw/zinc/17/34/66/564173466.db2.gz FOZGKCAEVSHNDP-UHFFFAOYSA-N 1 1 349.463 3.673 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000071870777 564176161 /nfs/dbraw/zinc/17/61/61/564176161.db2.gz JZOOUGCSRVHNGU-KZNAEPCWSA-N 1 1 341.430 3.552 50 0 EHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000020599912 1018188925 /nfs/dbraw/zinc/18/89/25/1018188925.db2.gz WAFAMLPOHDLYLO-JOCHJYFZSA-N 1 1 339.479 3.555 50 0 EHAAMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)CCO2 ZINC000187549059 1022330912 /nfs/dbraw/zinc/33/09/12/1022330912.db2.gz JXPQPDGHJAXGRZ-SFHVURJKSA-N 1 1 329.444 3.551 50 0 EHAAMO Cc1cc(NCc2c[nH]c3nccnc23)c[nH+]c1N1CCCC[C@H]1C ZINC000290986179 1023035767 /nfs/dbraw/zinc/03/57/67/1023035767.db2.gz ZEDSPXLGOCZIIL-CQSZACIVSA-N 1 1 336.443 3.652 50 0 EHAAMO Cc1c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cnn1C1CCCC1 ZINC000138227673 1027090560 /nfs/dbraw/zinc/09/05/60/1027090560.db2.gz UFHBKHGTEJJAEO-HNNXBMFYSA-N 1 1 346.519 3.547 50 0 EHAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000023505688 1035464774 /nfs/dbraw/zinc/46/47/74/1035464774.db2.gz KYVZJAFMYNOMCI-HXUWFJFHSA-N 1 1 343.515 3.517 50 0 EHAAMO c1cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078100 1039712787 /nfs/dbraw/zinc/71/27/87/1039712787.db2.gz KHJGVIHWNXKXPN-NQIIRXRSSA-N 1 1 342.483 3.644 50 0 EHAAMO CC(C)c1nc(C2([NH2+]C[C@@H](O)CCc3ccccc3)CCCC2)no1 ZINC000182423138 1125287888 /nfs/dbraw/zinc/28/78/88/1125287888.db2.gz QQWXEJPKDLFAFV-KRWDZBQOSA-N 1 1 343.471 3.546 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)CC3CCCC3)C2)n1CC1CC1 ZINC000581805924 1132366778 /nfs/dbraw/zinc/36/67/78/1132366778.db2.gz OTIMGXGEVXODFQ-SFHVURJKSA-N 1 1 329.488 3.573 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)NC3CCCCC3)C2)n1CC1CC1 ZINC000581805454 1132367211 /nfs/dbraw/zinc/36/72/11/1132367211.db2.gz IJNVBTNEXIVRCZ-KRWDZBQOSA-N 1 1 344.503 3.508 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)NC3CCCCC3)C2)n1C(C)C ZINC000581806493 1132368018 /nfs/dbraw/zinc/36/80/18/1132368018.db2.gz QVBQBHWVEOQCMF-MRXNPFEDSA-N 1 1 332.492 3.679 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1CC1CC1 ZINC000581806280 1132368466 /nfs/dbraw/zinc/36/84/66/1132368466.db2.gz YLKCUTZZCZSWBL-KRWDZBQOSA-N 1 1 329.488 3.573 50 0 EHAAMO CCOc1cc2c(cc1C[N@@H+]1CCC3(CC(OCC)C3)C1)O[C@@H](C)C2 ZINC000585081845 1136965371 /nfs/dbraw/zinc/96/53/71/1136965371.db2.gz KZJLZASRTIVLSM-SBGRQLAYSA-N 1 1 345.483 3.800 50 0 EHAAMO COc1ccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000952860679 1137482641 /nfs/dbraw/zinc/48/26/41/1137482641.db2.gz RBNJEFKNOXNYKE-LJQANCHMSA-N 1 1 325.387 3.562 50 0 EHAAMO CC[N@@H+]1CCCC[C@@H]1CNCc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971445 1137484256 /nfs/dbraw/zinc/48/42/56/1137484256.db2.gz OIGVKRGCELWCBC-MRXNPFEDSA-N 1 1 333.863 3.558 50 0 EHAAMO CC[N@H+]1CCCC[C@@H]1CNCc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971445 1137484258 /nfs/dbraw/zinc/48/42/58/1137484258.db2.gz OIGVKRGCELWCBC-MRXNPFEDSA-N 1 1 333.863 3.558 50 0 EHAAMO C/C(=C\c1ccccc1)CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000221754782 1138213053 /nfs/dbraw/zinc/21/30/53/1138213053.db2.gz JRCKDJRLTSCLAM-KNTRCKAVSA-N 1 1 328.500 3.715 50 0 EHAAMO C[N@H+](Cc1cnc2ccccc2n1)Cc1cc(F)ccc1-n1cccn1 ZINC000097675556 219047112 /nfs/dbraw/zinc/04/71/12/219047112.db2.gz DVTYPBYAAPGGTN-UHFFFAOYSA-N 1 1 347.397 3.587 50 0 EHAAMO C[N@@H+](Cc1cnc2ccccc2n1)Cc1cc(F)ccc1-n1cccn1 ZINC000097675556 219047113 /nfs/dbraw/zinc/04/71/13/219047113.db2.gz DVTYPBYAAPGGTN-UHFFFAOYSA-N 1 1 347.397 3.587 50 0 EHAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1cc2c(cc1OC)OCO2 ZINC000055088114 214271136 /nfs/dbraw/zinc/27/11/36/214271136.db2.gz LOEDDUMVPXFOAZ-AWEZNQCLSA-N 1 1 328.412 3.620 50 0 EHAAMO COCC[N@H+](Cc1ccc(C)cc1)Cc1coc2ccccc2c1=O ZINC000055368938 214312560 /nfs/dbraw/zinc/31/25/60/214312560.db2.gz HDAFTAGJYSGGNF-UHFFFAOYSA-N 1 1 337.419 3.750 50 0 EHAAMO 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CC[N@H+]1CCC[C@H]1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006558778 564092099 /nfs/dbraw/zinc/09/20/99/564092099.db2.gz QUKJBQZWIOODPK-INIZCTEOSA-N 1 1 333.439 3.588 50 0 EHAAMO Cc1nc2n[nH]c(N)c2c(C)c1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426430925 564093737 /nfs/dbraw/zinc/09/37/37/564093737.db2.gz ANVCKXUHFRNJIX-CQSZACIVSA-N 1 1 335.455 3.981 50 0 EHAAMO CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(C)[nH+]1)CO3 ZINC000006818016 564098767 /nfs/dbraw/zinc/09/87/67/564098767.db2.gz RXDUFWBZICNQCL-UHFFFAOYSA-N 1 1 336.391 3.724 50 0 EHAAMO Cc1c2cc(F)ccc2oc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000007240660 564105983 /nfs/dbraw/zinc/10/59/83/564105983.db2.gz CLULGMHLMQGDJI-CYBMUJFWSA-N 1 1 332.419 3.875 50 0 EHAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007266153 564106122 /nfs/dbraw/zinc/10/61/22/564106122.db2.gz SWLHABBBPCKASK-ZDUSSCGKSA-N 1 1 332.831 3.808 50 0 EHAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007266153 564106123 /nfs/dbraw/zinc/10/61/23/564106123.db2.gz SWLHABBBPCKASK-ZDUSSCGKSA-N 1 1 332.831 3.808 50 0 EHAAMO O=C(c1ncoc1-c1ccco1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000089865509 564114364 /nfs/dbraw/zinc/11/43/64/564114364.db2.gz HJFZSDWVPQXICI-OAHLLOKOSA-N 1 1 349.390 3.559 50 0 EHAAMO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1)C1CC1 ZINC000076051400 564115008 /nfs/dbraw/zinc/11/50/08/564115008.db2.gz JZEXKOJACXNTBC-CQSZACIVSA-N 1 1 335.517 3.588 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492649 564119598 /nfs/dbraw/zinc/11/95/98/564119598.db2.gz MRKKQYVAEFSEQB-WIYYLYMNSA-N 1 1 349.478 3.689 50 0 EHAAMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036452524 564129189 /nfs/dbraw/zinc/12/91/89/564129189.db2.gz JLPPICQAWSOLCD-QZTJIDSGSA-N 1 1 329.827 3.729 50 0 EHAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000095957614 564142573 /nfs/dbraw/zinc/14/25/73/564142573.db2.gz DIEYIFJMOCJHHI-MRXNPFEDSA-N 1 1 345.487 3.911 50 0 EHAAMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1O ZINC000095995990 564144254 /nfs/dbraw/zinc/14/42/54/564144254.db2.gz YDNNGSZZQZWIST-GJZGRUSLSA-N 1 1 345.405 3.857 50 0 EHAAMO CC(C)C[N@@H+](CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000097029967 564149187 /nfs/dbraw/zinc/14/91/87/564149187.db2.gz QIUDTZHOSNICGY-ZDUSSCGKSA-N 1 1 349.862 3.575 50 0 EHAAMO CCCc1nc(C)c(C(=O)Nc2cccnc2-n2cc[nH+]c2C)s1 ZINC000057223101 564153409 /nfs/dbraw/zinc/15/34/09/564153409.db2.gz KQBZSYZDLCMWCU-UHFFFAOYSA-N 1 1 341.440 3.545 50 0 EHAAMO Cc1cc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)no1 ZINC000057395777 564153934 /nfs/dbraw/zinc/15/39/34/564153934.db2.gz CRTVCWQQDCCDCP-OAHLLOKOSA-N 1 1 335.407 3.689 50 0 EHAAMO O=C(C[NH2+]Cc1ccccc1F)Nc1c(Cl)cccc1Cl ZINC000057440209 564154306 /nfs/dbraw/zinc/15/43/06/564154306.db2.gz SDUBLGYKRMAIOH-UHFFFAOYSA-N 1 1 327.186 3.861 50 0 EHAAMO COc1ccc(Cn2nc(C3CC3)nc2[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000670439096 564157580 /nfs/dbraw/zinc/15/75/80/564157580.db2.gz BKNCORQEKRCFNE-SFHVURJKSA-N 1 1 340.471 3.759 50 0 EHAAMO COc1ccc(Cn2nc(C3CC3)nc2[C@@H]2CCCCC[N@H+]2C)cc1 ZINC000670439096 564157581 /nfs/dbraw/zinc/15/75/81/564157581.db2.gz BKNCORQEKRCFNE-SFHVURJKSA-N 1 1 340.471 3.759 50 0 EHAAMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000058404516 564159043 /nfs/dbraw/zinc/15/90/43/564159043.db2.gz UFBVATCXSMAFGB-APWZRJJASA-N 1 1 340.467 3.717 50 0 EHAAMO Clc1ccc(OCc2nnc3n2[NH+]=C2CCCC[C@@H]2S3)cc1 ZINC000008342551 564164569 /nfs/dbraw/zinc/16/45/69/564164569.db2.gz QAGBDCWRSHSXAS-ZDUSSCGKSA-N 1 1 334.832 3.763 50 0 EHAAMO Fc1ccc(C2([NH2+]Cc3csc(-c4ncccn4)n3)CCC2)cc1 ZINC000069451744 564169588 /nfs/dbraw/zinc/16/95/88/564169588.db2.gz JJESRYFYLAMEHX-UHFFFAOYSA-N 1 1 340.427 3.908 50 0 EHAAMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c(C)nn(C)c3OC)oc21 ZINC000069531910 564170242 /nfs/dbraw/zinc/17/02/42/564170242.db2.gz ZGNADMLUXHMZHW-CYBMUJFWSA-N 1 1 343.427 3.733 50 0 EHAAMO O[C@@H](C[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000069617094 564170871 /nfs/dbraw/zinc/17/08/71/564170871.db2.gz FMZGXERDRMQOEO-WMZOPIPTSA-N 1 1 333.378 3.811 50 0 EHAAMO Clc1cc2cccnc2c(C[N@H+]2CCCC[C@@H]2Cn2cncn2)c1 ZINC000069709289 564171764 /nfs/dbraw/zinc/17/17/64/564171764.db2.gz HWJDQWYSIGUQEB-QGZVFWFLSA-N 1 1 341.846 3.534 50 0 EHAAMO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000069770674 564172004 /nfs/dbraw/zinc/17/20/04/564172004.db2.gz URRAZDDREZGNDJ-OCCSQVGLSA-N 1 1 337.427 3.764 50 0 EHAAMO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000069770674 564172005 /nfs/dbraw/zinc/17/20/05/564172005.db2.gz URRAZDDREZGNDJ-OCCSQVGLSA-N 1 1 337.427 3.764 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875796 564176226 /nfs/dbraw/zinc/17/62/26/564176226.db2.gz ZENAVBRTERWJAQ-HNNXBMFYSA-N 1 1 328.441 3.573 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875796 564176227 /nfs/dbraw/zinc/17/62/27/564176227.db2.gz ZENAVBRTERWJAQ-HNNXBMFYSA-N 1 1 328.441 3.573 50 0 EHAAMO Cc1cccc([C@H]2CCCCN2C(=O)c2csc(C[NH3+])n2)c1C ZINC000237797181 1032156854 /nfs/dbraw/zinc/15/68/54/1032156854.db2.gz AVCMNKBNMOHGPK-MRXNPFEDSA-N 1 1 329.469 3.586 50 0 EHAAMO COCc1ccc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000020600190 1018190285 /nfs/dbraw/zinc/19/02/85/1018190285.db2.gz HLMNIXTUQMRMBO-LJQANCHMSA-N 1 1 342.483 3.565 50 0 EHAAMO O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176053702 1022533878 /nfs/dbraw/zinc/53/38/78/1022533878.db2.gz ICYHUAMNBTUXFL-MRXNPFEDSA-N 1 1 339.439 3.935 50 0 EHAAMO CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(C)[nH]n3)C2)cc1 ZINC000023129242 1028444031 /nfs/dbraw/zinc/44/40/31/1028444031.db2.gz BATWRDDSNHAMED-OAHLLOKOSA-N 1 1 329.469 3.535 50 0 EHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129242 1028444041 /nfs/dbraw/zinc/44/40/41/1028444041.db2.gz BATWRDDSNHAMED-OAHLLOKOSA-N 1 1 329.469 3.535 50 0 EHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129242 1028444050 /nfs/dbraw/zinc/44/40/50/1028444050.db2.gz BATWRDDSNHAMED-OAHLLOKOSA-N 1 1 329.469 3.535 50 0 EHAAMO CSCc1ccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)nc1 ZINC000082098615 1030419259 /nfs/dbraw/zinc/41/92/59/1030419259.db2.gz QTASKCCLZPFLAQ-UHFFFAOYSA-N 1 1 342.512 3.935 50 0 EHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000030029068 1037586045 /nfs/dbraw/zinc/58/60/45/1037586045.db2.gz PQEFHVIIURIWBM-GNISGLHKSA-N 1 1 340.854 3.869 50 0 EHAAMO C[N@H+]1CCN(C(=O)/C=C/c2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000030029068 1037586060 /nfs/dbraw/zinc/58/60/60/1037586060.db2.gz PQEFHVIIURIWBM-GNISGLHKSA-N 1 1 340.854 3.869 50 0 EHAAMO CCc1nc([C@H]2C[N@@H+](CCc3ccccc3)CC23CCCC3)no1 ZINC000257174308 1038299692 /nfs/dbraw/zinc/29/96/92/1038299692.db2.gz FMWMCSAHDBUIEE-QGZVFWFLSA-N 1 1 325.456 3.834 50 0 EHAAMO c1ccc(-c2nc(CC[C@H]3CCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000675020487 1039888474 /nfs/dbraw/zinc/88/84/74/1039888474.db2.gz RAVOREBSTJKCOD-GOSISDBHSA-N 1 1 334.423 3.729 50 0 EHAAMO OC[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1c1ccsc1 ZINC000349016553 1040849630 /nfs/dbraw/zinc/84/96/30/1040849630.db2.gz ZYQWXNBGBPFCTG-JSGCOSHPSA-N 1 1 348.468 3.705 50 0 EHAAMO COCc1csc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000888102132 1043287788 /nfs/dbraw/zinc/28/77/88/1043287788.db2.gz DHERQZZJXIIXQI-INIZCTEOSA-N 1 1 344.480 3.745 50 0 EHAAMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1cnc2ccccc2c1 ZINC000065375387 1129042098 /nfs/dbraw/zinc/04/20/98/1129042098.db2.gz JHICVAZXGBHQQV-UHFFFAOYSA-N 1 1 337.398 3.835 50 0 EHAAMO CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cc(OC)ccc2O1 ZINC000012279439 1129474046 /nfs/dbraw/zinc/47/40/46/1129474046.db2.gz MZQJVMBJSQDAST-KRWDZBQOSA-N 1 1 327.424 3.877 50 0 EHAAMO COCC[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000012305777 1129510064 /nfs/dbraw/zinc/51/00/64/1129510064.db2.gz YVUHOZYOWQYEML-MRXNPFEDSA-N 1 1 347.434 3.615 50 0 EHAAMO CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccs3)C2)c(C)n1 ZINC000823031260 1131038121 /nfs/dbraw/zinc/03/81/21/1131038121.db2.gz BSMXJZKOWACWQG-HNNXBMFYSA-N 1 1 331.485 3.758 50 0 EHAAMO CCCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cccs3)C2)c(C)n1 ZINC000823031260 1131038124 /nfs/dbraw/zinc/03/81/24/1131038124.db2.gz BSMXJZKOWACWQG-HNNXBMFYSA-N 1 1 331.485 3.758 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@H](n3c(C)cnc3-c3cccnc3)C2)o1 ZINC000575545296 1131568723 /nfs/dbraw/zinc/56/87/23/1131568723.db2.gz FXGNKEOFBBKTTG-SFHVURJKSA-N 1 1 336.439 3.992 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000581816361 1132372933 /nfs/dbraw/zinc/37/29/33/1132372933.db2.gz VKNVTKVVRNWZDV-LJQANCHMSA-N 1 1 339.483 3.940 50 0 EHAAMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2nc(C3OCCO3)cs2)c1 ZINC000585120659 1137012313 /nfs/dbraw/zinc/01/23/13/1137012313.db2.gz DGKKJVFJTIVFGH-CYBMUJFWSA-N 1 1 330.453 3.840 50 0 EHAAMO CN(Cc1ccc(F)c(F)c1F)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000952865698 1137483811 /nfs/dbraw/zinc/48/38/11/1137483811.db2.gz WJJUMCDJKCNSFE-MRXNPFEDSA-N 1 1 334.385 3.592 50 0 EHAAMO COc1cc(F)ccc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000952978448 1137484726 /nfs/dbraw/zinc/48/47/26/1137484726.db2.gz CIZPVHCHBSNKCJ-GOSISDBHSA-N 1 1 335.444 3.841 50 0 EHAAMO CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC000952980566 1137484841 /nfs/dbraw/zinc/48/48/41/1137484841.db2.gz XDKXESXATJBJGV-HXUWFJFHSA-N 1 1 337.467 3.581 50 0 EHAAMO CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC000952980566 1137484842 /nfs/dbraw/zinc/48/48/42/1137484842.db2.gz XDKXESXATJBJGV-HXUWFJFHSA-N 1 1 337.467 3.581 50 0 EHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)CC[C@H]3CCCCO3)c2)n1 ZINC000952991549 1137484949 /nfs/dbraw/zinc/48/49/49/1137484949.db2.gz ZUWJUXAPRJBSDC-HXUWFJFHSA-N 1 1 327.472 3.880 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 ZINC000004745251 210267004 /nfs/dbraw/zinc/26/70/04/210267004.db2.gz JGFSFURNCWMKBO-KRWDZBQOSA-N 1 1 339.483 3.783 50 0 EHAAMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(=O)n3cccc(C)c3n2)s1 ZINC000053213235 214169628 /nfs/dbraw/zinc/16/96/28/214169628.db2.gz LTZGXKFJXFQIBC-CQSZACIVSA-N 1 1 327.453 3.566 50 0 EHAAMO CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C ZINC000055196261 214286903 /nfs/dbraw/zinc/28/69/03/214286903.db2.gz IODZQZHFVUAUNP-MRXNPFEDSA-N 1 1 327.407 3.580 50 0 EHAAMO Cc1cccc(-c2ncc(C[NH2+]Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 ZINC000055283182 214301844 /nfs/dbraw/zinc/30/18/44/214301844.db2.gz ZSGJEULLGDPIQA-UHFFFAOYSA-N 1 1 335.455 3.762 50 0 EHAAMO CSc1ccc(C[N@H+](CCO)Cc2ccc(C(C)=O)cc2)cc1 ZINC000055310407 214305063 /nfs/dbraw/zinc/30/50/63/214305063.db2.gz YBPRLJIBXRMCOF-UHFFFAOYSA-N 1 1 329.465 3.606 50 0 EHAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc(C(C)=O)cc2)cc1 ZINC000055310407 214305066 /nfs/dbraw/zinc/30/50/66/214305066.db2.gz YBPRLJIBXRMCOF-UHFFFAOYSA-N 1 1 329.465 3.606 50 0 EHAAMO COc1cccc(C[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)c1OC ZINC000055357730 214310656 /nfs/dbraw/zinc/31/06/56/214310656.db2.gz XBYYDSNJBZTXSA-UHFFFAOYSA-N 1 1 349.434 3.759 50 0 EHAAMO Cc1ccc2oc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000058427294 214585005 /nfs/dbraw/zinc/58/50/05/214585005.db2.gz YCQZWWQCZWDFRN-INIZCTEOSA-N 1 1 328.456 3.983 50 0 EHAAMO CC(C)c1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000004476879 210196556 /nfs/dbraw/zinc/19/65/56/210196556.db2.gz BHDBZQUJGHTPQH-QGZVFWFLSA-N 1 1 327.476 3.737 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C2CCCCC2)cc1F ZINC000067646500 215172296 /nfs/dbraw/zinc/17/22/96/215172296.db2.gz LUNGUTIZDIJRNL-UHFFFAOYSA-N 1 1 344.434 3.794 50 0 EHAAMO OCCCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673273 215177565 /nfs/dbraw/zinc/17/75/65/215177565.db2.gz CSIKCLYALVPOIE-UHFFFAOYSA-N 1 1 347.842 3.680 50 0 EHAAMO COc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2ccccc2C)cc1 ZINC000067688910 215185977 /nfs/dbraw/zinc/18/59/77/215185977.db2.gz HOIIWGBDUBNMSQ-OAQYLSRUSA-N 1 1 333.435 3.874 50 0 EHAAMO COc1ccc([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccccc2C)cc1 ZINC000067688910 215185980 /nfs/dbraw/zinc/18/59/80/215185980.db2.gz 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CC[N@H+](Cc1cc(C2CCCCC2)no1)C[C@@H](O)c1cccc(O)c1 ZINC000244874362 243093198 /nfs/dbraw/zinc/09/31/98/243093198.db2.gz WZZHOMVARVEKAU-HXUWFJFHSA-N 1 1 344.455 3.983 50 0 EHAAMO CCc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020706845 212162689 /nfs/dbraw/zinc/16/26/89/212162689.db2.gz GAXWNDAVOGSQQF-UHFFFAOYSA-N 1 1 336.479 3.526 50 0 EHAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1 ZINC000020548226 212146543 /nfs/dbraw/zinc/14/65/43/212146543.db2.gz OGGQBWJMNRCGDP-UHFFFAOYSA-N 1 1 349.463 3.774 50 0 EHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1 ZINC000020548226 212146546 /nfs/dbraw/zinc/14/65/46/212146546.db2.gz OGGQBWJMNRCGDP-UHFFFAOYSA-N 1 1 349.463 3.774 50 0 EHAAMO S=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019810518 212070722 /nfs/dbraw/zinc/07/07/22/212070722.db2.gz NAQKMVHOIMZVNH-UHFFFAOYSA-N 1 1 345.899 3.855 50 0 EHAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000019792445 212068226 /nfs/dbraw/zinc/06/82/26/212068226.db2.gz 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EHAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000011842873 211256259 /nfs/dbraw/zinc/25/62/59/211256259.db2.gz WQACHWKSUMPYMH-SFHVURJKSA-N 1 1 346.833 3.874 50 0 EHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000011842873 211256261 /nfs/dbraw/zinc/25/62/61/211256261.db2.gz WQACHWKSUMPYMH-SFHVURJKSA-N 1 1 346.833 3.874 50 0 EHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1SC)C2 ZINC000091587400 218026796 /nfs/dbraw/zinc/02/67/96/218026796.db2.gz XLBCCKLBSCQTIT-HUUCEWRRSA-N 1 1 333.501 3.747 50 0 EHAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000011705553 211237957 /nfs/dbraw/zinc/23/79/57/211237957.db2.gz UWUPTKFUSXZFGD-UHFFFAOYSA-N 1 1 349.446 3.780 50 0 EHAAMO CCn1cnnc1[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000091627453 218035126 /nfs/dbraw/zinc/03/51/26/218035126.db2.gz GBPURIHQUBXRBL-CYBMUJFWSA-N 1 1 341.846 3.884 50 0 EHAAMO O=C(CCc1ccccc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011661418 211228895 /nfs/dbraw/zinc/22/88/95/211228895.db2.gz 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331.485 3.693 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCc1nc2ccccc2o1 ZINC000071876717 564176324 /nfs/dbraw/zinc/17/63/24/564176324.db2.gz XZCHLBDUBZQSTI-KRWDZBQOSA-N 1 1 338.455 3.948 50 0 EHAAMO Cc1cc(NCc2cn(C(C)C)nn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000286771537 1015076819 /nfs/dbraw/zinc/07/68/19/1015076819.db2.gz IFICFPUVVTXJIZ-HNNXBMFYSA-N 1 1 328.464 3.553 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000033024244 1018773045 /nfs/dbraw/zinc/77/30/45/1018773045.db2.gz GDCQYBZRQCMWDJ-LBPRGKRZSA-N 1 1 338.860 3.952 50 0 EHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000033024241 1018780578 /nfs/dbraw/zinc/78/05/78/1018780578.db2.gz GDCQYBZRQCMWDJ-GFCCVEGCSA-N 1 1 338.860 3.952 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000092453481 1030455417 /nfs/dbraw/zinc/45/54/17/1030455417.db2.gz KFKTUSGZTCQECF-UHFFFAOYSA-N 1 1 332.831 3.590 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000092453481 1030455430 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C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000823709209 1131078740 /nfs/dbraw/zinc/07/87/40/1131078740.db2.gz IEZZGHYRKJWBAA-KRWDZBQOSA-N 1 1 327.453 3.694 50 0 EHAAMO CNc1ncccc1C[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065398243 1132151918 /nfs/dbraw/zinc/15/19/18/1132151918.db2.gz CELSCUMKOBKURV-OAQYLSRUSA-N 1 1 335.451 3.954 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@H](n3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581807337 1132369741 /nfs/dbraw/zinc/36/97/41/1132369741.db2.gz LOSKHSAXZJPJRM-SFHVURJKSA-N 1 1 336.439 3.992 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)o1 ZINC000952984915 1137485555 /nfs/dbraw/zinc/48/55/55/1137485555.db2.gz YKSSKKYNTMNEDW-UHFFFAOYSA-N 1 1 327.453 3.910 50 0 EHAAMO NC(=O)c1ccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000097634896 219043017 /nfs/dbraw/zinc/04/30/17/219043017.db2.gz QUQOSYKZLDJYAA-UHFFFAOYSA-N 1 1 337.448 3.560 50 0 EHAAMO NC(=O)c1ccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000097634896 219043018 /nfs/dbraw/zinc/04/30/18/219043018.db2.gz QUQOSYKZLDJYAA-UHFFFAOYSA-N 1 1 337.448 3.560 50 0 EHAAMO CCn1c(C[NH2+][C@H](C)c2cc(OC)ccc2OC)nc2ccccc21 ZINC000054041199 214211826 /nfs/dbraw/zinc/21/18/26/214211826.db2.gz BNXFXWPKMOVAKS-CQSZACIVSA-N 1 1 339.439 3.924 50 0 EHAAMO Cc1noc([C@@H]2CCC[N@@H+](CCCOc3ccc(C)c(C)c3)C2)n1 ZINC000054676351 214250247 /nfs/dbraw/zinc/25/02/47/214250247.db2.gz SHARRQOHFBGNAW-QGZVFWFLSA-N 1 1 329.444 3.643 50 0 EHAAMO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055252866 214296443 /nfs/dbraw/zinc/29/64/43/214296443.db2.gz OMCKDZCGWUGEBS-INIZCTEOSA-N 1 1 335.455 3.985 50 0 EHAAMO Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055252866 214296447 /nfs/dbraw/zinc/29/64/47/214296447.db2.gz OMCKDZCGWUGEBS-INIZCTEOSA-N 1 1 335.455 3.985 50 0 EHAAMO Cc1cc(C)n(CCC[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)n1 ZINC000055243094 214293585 /nfs/dbraw/zinc/29/35/85/214293585.db2.gz XVHXETKPMZLUPE-FQEVSTJZSA-N 1 1 345.462 3.710 50 0 EHAAMO CC[N@@H+](CCc1nc2cc(C)ccc2[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055384132 214315789 /nfs/dbraw/zinc/31/57/89/214315789.db2.gz DBSQESGKENXNCF-UHFFFAOYSA-N 1 1 339.487 3.957 50 0 EHAAMO CC[N@H+](CCc1nc2ccc(C)cc2[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055384132 214315791 /nfs/dbraw/zinc/31/57/91/214315791.db2.gz DBSQESGKENXNCF-UHFFFAOYSA-N 1 1 339.487 3.957 50 0 EHAAMO CC[N@@H+](CCc1nc2ccc(C)cc2[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055384132 214315794 /nfs/dbraw/zinc/31/57/94/214315794.db2.gz DBSQESGKENXNCF-UHFFFAOYSA-N 1 1 339.487 3.957 50 0 EHAAMO COc1ccccc1/C=C/C[N@H+](Cc1ccccc1)C[C@H](C)CO ZINC000055393728 214319211 /nfs/dbraw/zinc/31/92/11/214319211.db2.gz XNKBEKFLYXSRGR-HCWHUNCVSA-N 1 1 325.452 3.839 50 0 EHAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000049581340 214020032 /nfs/dbraw/zinc/02/00/32/214020032.db2.gz MTUAQGLAHCIRFJ-QGZVFWFLSA-N 1 1 342.508 3.978 50 0 EHAAMO COc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1O ZINC000098081543 219080106 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/nfs/dbraw/zinc/93/62/54/563936254.db2.gz RPOMHHYLUHXVNV-FUHWJXTLSA-N 1 1 335.444 3.602 50 0 EHAAMO O=C(C[NH+]1CCCC1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 ZINC000058161658 563938345 /nfs/dbraw/zinc/93/83/45/563938345.db2.gz XOXUXAVIVLYKGZ-HNNXBMFYSA-N 1 1 345.493 3.583 50 0 EHAAMO CCc1nc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)sc1C ZINC000058401743 563944852 /nfs/dbraw/zinc/94/48/52/563944852.db2.gz FAPCKXUHOUBXDU-MRXNPFEDSA-N 1 1 329.469 3.790 50 0 EHAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1C ZINC000058432362 563946246 /nfs/dbraw/zinc/94/62/46/563946246.db2.gz VOCPVOMJTKAEIO-UHFFFAOYSA-N 1 1 327.472 3.731 50 0 EHAAMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000096415132 563951079 /nfs/dbraw/zinc/95/10/79/563951079.db2.gz RCKSLUSOLPXLDN-SJLPKXTDSA-N 1 1 338.455 3.598 50 0 EHAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C[C@H]1O ZINC000065385874 563959311 /nfs/dbraw/zinc/95/93/11/563959311.db2.gz XKVCYPSJXZJVRO-IEBWSBKVSA-N 1 1 340.492 3.899 50 0 EHAAMO c1ccn(CC[N@@H+]2CC=C(c3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000065393741 563959531 /nfs/dbraw/zinc/95/95/31/563959531.db2.gz HTVFABWHJOQGJF-UHFFFAOYSA-N 1 1 332.451 3.522 50 0 EHAAMO O[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@H]1c1ccc(F)cc1 ZINC000065462230 563961177 /nfs/dbraw/zinc/96/11/77/563961177.db2.gz CWTTWGGPGOCNBL-VQTJNVASSA-N 1 1 336.410 3.724 50 0 EHAAMO CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1cc(C)ccc1-n1cccn1 ZINC000071762804 563965444 /nfs/dbraw/zinc/96/54/44/563965444.db2.gz JHGUYYCXDBOYJH-HXUWFJFHSA-N 1 1 335.455 3.651 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000071769749 563965609 /nfs/dbraw/zinc/96/56/09/563965609.db2.gz RSGZFCYQCKXIQH-GOSISDBHSA-N 1 1 336.479 3.723 50 0 EHAAMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccncc3Cl)ccc2NC1=O ZINC000097033565 563966900 /nfs/dbraw/zinc/96/69/00/563966900.db2.gz ZXVNQJGQQDQFQX-MEDUHNTESA-N 1 1 345.830 3.695 50 0 EHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cc1cc(C)ccc1C ZINC000082092625 563972082 /nfs/dbraw/zinc/97/20/82/563972082.db2.gz CMRRYJHROBNKHQ-FQEVSTJZSA-N 1 1 339.483 3.822 50 0 EHAAMO CCCc1cnc(C)nc1N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137464 563972612 /nfs/dbraw/zinc/97/26/12/563972612.db2.gz WBOPXLLLTXFBEO-GOSISDBHSA-N 1 1 339.487 3.728 50 0 EHAAMO CCOC[C@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000585141657 563973411 /nfs/dbraw/zinc/97/34/11/563973411.db2.gz YSMXPMGKIPXXCJ-INIZCTEOSA-N 1 1 334.460 3.892 50 0 EHAAMO COc1ccccc1C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000585141432 563973419 /nfs/dbraw/zinc/97/34/19/563973419.db2.gz VTXDUCIOFIKVNJ-UHFFFAOYSA-N 1 1 339.361 3.537 50 0 EHAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc3c(Cl)cccc13)C2 ZINC000091270611 563975171 /nfs/dbraw/zinc/97/51/71/563975171.db2.gz FWROMWSZWZLSJN-UONOGXRCSA-N 1 1 328.843 3.659 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000248139990 563995287 /nfs/dbraw/zinc/99/52/87/563995287.db2.gz PWVYSPKVLPAUFT-WOJBJXKFSA-N 1 1 339.483 3.576 50 0 EHAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000106668750 564026593 /nfs/dbraw/zinc/02/65/93/564026593.db2.gz SJNLBWQTPLTYRI-YNEHKIRRSA-N 1 1 331.445 3.603 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000106799361 564026688 /nfs/dbraw/zinc/02/66/88/564026688.db2.gz PCANGFGTSIWPAH-JKSUJKDBSA-N 1 1 333.451 3.944 50 0 EHAAMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1O ZINC000108172023 564028000 /nfs/dbraw/zinc/02/80/00/564028000.db2.gz CELKOTBIWUOQPF-JKSUJKDBSA-N 1 1 345.405 3.857 50 0 EHAAMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CCOCC1 ZINC000108462339 564028253 /nfs/dbraw/zinc/02/82/53/564028253.db2.gz LMUDQKJMYZOEPW-IXDOHACOSA-N 1 1 332.488 3.523 50 0 EHAAMO CC(C)[N@@H+](C)CCCNC(=O)CCc1cccc(Cl)c1Cl ZINC000048106147 564029919 /nfs/dbraw/zinc/02/99/19/564029919.db2.gz QJZGVIJCCQHXGQ-UHFFFAOYSA-N 1 1 331.287 3.773 50 0 EHAAMO Cc1noc(C)c1C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000214957746 564033456 /nfs/dbraw/zinc/03/34/56/564033456.db2.gz CANYWDZACDXIPN-UHFFFAOYSA-N 1 1 342.468 3.613 50 0 EHAAMO C[C@H]1CN(c2cc[nH+]cc2Br)C[C@@H](c2ccccc2)O1 ZINC000225613233 564048402 /nfs/dbraw/zinc/04/84/02/564048402.db2.gz GKVFKAUWKHRWIZ-LRDDRELGSA-N 1 1 333.229 3.811 50 0 EHAAMO Cc1cc(C)c(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)c(-n2cccn2)c1 ZINC000252489451 564053465 /nfs/dbraw/zinc/05/34/65/564053465.db2.gz JRGCSROMCADJIA-SFHVURJKSA-N 1 1 338.499 3.548 50 0 EHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000084689474 564069662 /nfs/dbraw/zinc/06/96/62/564069662.db2.gz UJOWPJBNOMZPGT-ZIFCJYIRSA-N 1 1 326.484 3.582 50 0 EHAAMO COc1ccc(NC(=O)C2=CC[N@H+](Cc3ccccc3F)CC2)cc1 ZINC000015861026 564076908 /nfs/dbraw/zinc/07/69/08/564076908.db2.gz QJIAKTUEPZPHSQ-UHFFFAOYSA-N 1 1 340.398 3.605 50 0 EHAAMO COc1ccc(NC(=O)C2=CC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000015861026 564076909 /nfs/dbraw/zinc/07/69/09/564076909.db2.gz QJIAKTUEPZPHSQ-UHFFFAOYSA-N 1 1 340.398 3.605 50 0 EHAAMO C[NH+](C)CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000006176935 564077295 /nfs/dbraw/zinc/07/72/95/564077295.db2.gz SLIKHXQNDLLIDI-UHFFFAOYSA-N 1 1 337.448 3.977 50 0 EHAAMO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(C[NH3+])n1 ZINC000090930928 564087087 /nfs/dbraw/zinc/08/70/87/564087087.db2.gz QBJMFTXORFWNMQ-MRVPVSSYSA-N 1 1 344.267 3.742 50 0 EHAAMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000241124174 564088270 /nfs/dbraw/zinc/08/82/70/564088270.db2.gz JGCWLSWSWIYKPC-KDOFPFPSSA-N 1 1 326.465 3.863 50 0 EHAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426388543 564093573 /nfs/dbraw/zinc/09/35/73/564093573.db2.gz SDTWNASWBZFHHZ-MRXNPFEDSA-N 1 1 340.442 3.954 50 0 EHAAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000426431126 564093776 /nfs/dbraw/zinc/09/37/76/564093776.db2.gz NNZONAVUWWRTTQ-OAHLLOKOSA-N 1 1 328.481 3.829 50 0 EHAAMO COc1ccc(NC(=O)C2=CC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000064817974 564096486 /nfs/dbraw/zinc/09/64/86/564096486.db2.gz XMNCBGOVYZYFIE-UHFFFAOYSA-N 1 1 336.435 3.774 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000065140383 564101584 /nfs/dbraw/zinc/10/15/84/564101584.db2.gz JMGJKFSPPDAOHV-DNVCBOLYSA-N 1 1 333.435 3.733 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2c1C ZINC000065418349 564105842 /nfs/dbraw/zinc/10/58/42/564105842.db2.gz OCODSQVWBQVXAO-UHFFFAOYSA-N 1 1 335.451 3.647 50 0 EHAAMO CCC[C@H](C)[N@H+]1Cc2cccc(NC(=O)Cn3nc(C)cc3C)c2C1 ZINC000065542730 564107331 /nfs/dbraw/zinc/10/73/31/564107331.db2.gz PGNSZHDOYSVCLW-HNNXBMFYSA-N 1 1 340.471 3.643 50 0 EHAAMO CCCCCc1nnc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)s1 ZINC000065586215 564107735 /nfs/dbraw/zinc/10/77/35/564107735.db2.gz VFIIEWNDFYGYQX-INIZCTEOSA-N 1 1 346.500 3.902 50 0 EHAAMO CCCCCc1nnc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)s1 ZINC000065586215 564107736 /nfs/dbraw/zinc/10/77/36/564107736.db2.gz VFIIEWNDFYGYQX-INIZCTEOSA-N 1 1 346.500 3.902 50 0 EHAAMO O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000071824379 564111280 /nfs/dbraw/zinc/11/12/80/564111280.db2.gz SNJQLIJFWAEGJP-MOPGFXCFSA-N 1 1 340.492 3.586 50 0 EHAAMO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000071824382 564111296 /nfs/dbraw/zinc/11/12/96/564111296.db2.gz SNJQLIJFWAEGJP-RTBURBONSA-N 1 1 340.492 3.586 50 0 EHAAMO CN(C)c1cccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639531 564117644 /nfs/dbraw/zinc/11/76/44/564117644.db2.gz MZKOOSBXJOPPPJ-IBGZPJMESA-N 1 1 330.859 3.980 50 0 EHAAMO CN(C)c1cccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639531 564117645 /nfs/dbraw/zinc/11/76/45/564117645.db2.gz MZKOOSBXJOPPPJ-IBGZPJMESA-N 1 1 330.859 3.980 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(N2CCCC2)c1 ZINC000253369539 564130279 /nfs/dbraw/zinc/13/02/79/564130279.db2.gz DUYUSHANEKUVHP-UIFIKXQLSA-N 1 1 343.515 3.588 50 0 EHAAMO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447624 564140542 /nfs/dbraw/zinc/14/05/42/564140542.db2.gz IABCQJMIUGTWTH-CXAGYDPISA-N 1 1 349.837 3.538 50 0 EHAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000095466077 564140989 /nfs/dbraw/zinc/14/09/89/564140989.db2.gz BRMDUIIHVCEWOR-IINYFYTJSA-N 1 1 328.243 3.551 50 0 EHAAMO CCc1noc(CC)c1CNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000095969150 564143334 /nfs/dbraw/zinc/14/33/34/564143334.db2.gz MIKCQJMNJRWPPG-UHFFFAOYSA-N 1 1 345.462 3.693 50 0 EHAAMO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000095986435 564143941 /nfs/dbraw/zinc/14/39/41/564143941.db2.gz UJKYWQQGZZKRQW-AWEZNQCLSA-N 1 1 338.224 3.563 50 0 EHAAMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000004090810 564160497 /nfs/dbraw/zinc/16/04/97/564160497.db2.gz BSDPQEFENGLTDD-CYBMUJFWSA-N 1 1 341.407 3.552 50 0 biogenic EHAAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000004090810 564160498 /nfs/dbraw/zinc/16/04/98/564160498.db2.gz BSDPQEFENGLTDD-CYBMUJFWSA-N 1 1 341.407 3.552 50 0 biogenic EHAAMO CCOC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714118 564166672 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CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872118 564172599 /nfs/dbraw/zinc/17/25/99/564172599.db2.gz OXEUUKBYRCYLDP-ROUUACIJSA-N 1 1 347.528 3.776 50 0 EHAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872118 564172600 /nfs/dbraw/zinc/17/26/00/564172600.db2.gz OXEUUKBYRCYLDP-ROUUACIJSA-N 1 1 347.528 3.776 50 0 EHAAMO c1cnn(C[C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000070039578 564173506 /nfs/dbraw/zinc/17/35/06/564173506.db2.gz DAMNKDPSAKOIIB-HXUWFJFHSA-N 1 1 348.450 3.522 50 0 EHAAMO CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCO)cs2)cc1 ZINC000070951418 564174531 /nfs/dbraw/zinc/17/45/31/564174531.db2.gz OLTJEENOTNPBHP-KRWDZBQOSA-N 1 1 346.496 3.946 50 0 EHAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccco3)oc2C)c1 ZINC000071875381 564176211 /nfs/dbraw/zinc/17/62/11/564176211.db2.gz OOXKXSKPORJLHS-MRXNPFEDSA-N 1 1 340.427 3.803 50 0 EHAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2nc(-c3ccco3)oc2C)c1 ZINC000071875381 564176212 /nfs/dbraw/zinc/17/62/12/564176212.db2.gz 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212207596 /nfs/dbraw/zinc/20/75/96/212207596.db2.gz KOGNHVDFRGLWSE-UHFFFAOYSA-N 1 1 345.443 3.616 50 0 EHAAMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000021102284 212206936 /nfs/dbraw/zinc/20/69/36/212206936.db2.gz BNNCLFZTKXGWRA-UHFFFAOYSA-N 1 1 341.480 3.785 50 0 EHAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000243892629 243029413 /nfs/dbraw/zinc/02/94/13/243029413.db2.gz AJTFBCHQARYMQF-CQSZACIVSA-N 1 1 340.402 3.642 50 0 EHAAMO Cc1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cnn1C ZINC000244748496 243072041 /nfs/dbraw/zinc/07/20/41/243072041.db2.gz OIQKKUBGSYBFDP-CQSZACIVSA-N 1 1 326.469 3.718 50 0 EHAAMO Cc1cccc(N2CCC([N@@H+]3CCC[C@@H](N4CCCC4)C3)CC2)c1C ZINC000020599848 212151098 /nfs/dbraw/zinc/15/10/98/212151098.db2.gz DMDYETDBZAERDC-OAQYLSRUSA-N 1 1 341.543 3.832 50 0 EHAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@@H](N4CCCC4)C3)CC2)c1C ZINC000020599848 212151101 /nfs/dbraw/zinc/15/11/01/212151101.db2.gz DMDYETDBZAERDC-OAQYLSRUSA-N 1 1 341.543 3.832 50 0 EHAAMO O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522526 212143219 /nfs/dbraw/zinc/14/32/19/212143219.db2.gz COKAKHNLRMWPIU-UHFFFAOYSA-N 1 1 347.821 3.829 50 0 EHAAMO Cc1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020395680 212124593 /nfs/dbraw/zinc/12/45/93/212124593.db2.gz DOLMOFXGQKOWJQ-UHFFFAOYSA-N 1 1 343.858 3.998 50 0 EHAAMO CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020213649 212111748 /nfs/dbraw/zinc/11/17/48/212111748.db2.gz OWCWPGNDQOHMMS-UHFFFAOYSA-N 1 1 337.467 3.907 50 0 EHAAMO O=C(c1ccco1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720765 212058895 /nfs/dbraw/zinc/05/88/95/212058895.db2.gz WACWVVJKOMFQKG-UHFFFAOYSA-N 1 1 346.430 3.827 50 0 EHAAMO CCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000019498376 212032322 /nfs/dbraw/zinc/03/23/22/212032322.db2.gz SXKOCXTXIUNMEN-UHFFFAOYSA-N 1 1 337.463 3.674 50 0 EHAAMO Clc1ccccc1C[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000019335140 212017795 /nfs/dbraw/zinc/01/77/95/212017795.db2.gz LWMRDBMBHAESEF-UHFFFAOYSA-N 1 1 338.842 3.657 50 0 EHAAMO COCc1ccc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000019223062 212005922 /nfs/dbraw/zinc/00/59/22/212005922.db2.gz LVPKYLJFCYRSQB-SFHVURJKSA-N 1 1 328.456 3.522 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000079095958 217191685 /nfs/dbraw/zinc/19/16/85/217191685.db2.gz FVADIVSBSNZMMQ-FQEVSTJZSA-N 1 1 325.456 3.552 50 0 EHAAMO C[C@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000079109601 217195527 /nfs/dbraw/zinc/19/55/27/217195527.db2.gz PXPSHSLNANTCQS-MRXNPFEDSA-N 1 1 344.480 3.608 50 0 EHAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H]1CO ZINC000012431445 211378687 /nfs/dbraw/zinc/37/86/87/211378687.db2.gz VRXFANAFFMYENO-AWEZNQCLSA-N 1 1 340.345 3.626 50 0 EHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1C ZINC000012308496 211341306 /nfs/dbraw/zinc/34/13/06/211341306.db2.gz QYYQDOQWLOYMQP-GOSISDBHSA-N 1 1 338.451 3.802 50 0 EHAAMO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@@H+](C)CC(C)C)C3 ZINC000012212171 211322087 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C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000011838600 211254239 /nfs/dbraw/zinc/25/42/39/211254239.db2.gz KLTRJSCJFDXXAA-VREQBZOKSA-N 1 1 326.484 3.776 50 0 EHAAMO Cc1nc(N)cc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)[nH+]1 ZINC000091656688 218041546 /nfs/dbraw/zinc/04/15/46/218041546.db2.gz WDYABRIWZCCZFM-FQEVSTJZSA-N 1 1 340.471 3.696 50 0 EHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1cccc2ncccc21 ZINC000011726050 211241702 /nfs/dbraw/zinc/24/17/02/211241702.db2.gz RUENMTVXAZTAKO-UHFFFAOYSA-N 1 1 343.430 3.963 50 0 EHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1cccc2ncccc21 ZINC000011726050 211241705 /nfs/dbraw/zinc/24/17/05/211241705.db2.gz RUENMTVXAZTAKO-UHFFFAOYSA-N 1 1 343.430 3.963 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCc1cccc(Cl)c1 ZINC000010339714 211166814 /nfs/dbraw/zinc/16/68/14/211166814.db2.gz RAYPUERLVDGVQH-GOSISDBHSA-N 1 1 328.843 3.793 50 0 EHAAMO c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093506803 218229258 /nfs/dbraw/zinc/22/92/58/218229258.db2.gz UZIRZIOHCYDMEX-CTNGQTDRSA-N 1 1 338.451 3.662 50 0 EHAAMO CCC(C)(C)[NH2+]Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000009113905 211041693 /nfs/dbraw/zinc/04/16/93/211041693.db2.gz BBKXFJVZRHUEQO-UHFFFAOYSA-N 1 1 338.864 3.722 50 0 EHAAMO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000095385746 218317799 /nfs/dbraw/zinc/31/77/99/218317799.db2.gz FQSZNLKNNDSLFN-INIZCTEOSA-N 1 1 338.436 3.643 50 0 EHAAMO Oc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000095385746 218317800 /nfs/dbraw/zinc/31/78/00/218317800.db2.gz FQSZNLKNNDSLFN-INIZCTEOSA-N 1 1 338.436 3.643 50 0 EHAAMO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc(C(F)(F)F)cs2)o1 ZINC000095960986 218466458 /nfs/dbraw/zinc/46/64/58/218466458.db2.gz HAWJYIGDHANWHD-UHFFFAOYSA-N 1 1 342.346 3.743 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000097532565 219034776 /nfs/dbraw/zinc/03/47/76/219034776.db2.gz LYMKGADMZOUSRN-SFHVURJKSA-N 1 1 338.411 3.514 50 0 EHAAMO CCc1noc([C@@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000328593553 258043750 /nfs/dbraw/zinc/04/37/50/258043750.db2.gz IHIJGEMPXNATMJ-CABCVRRESA-N 1 1 348.516 3.517 50 0 EHAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000031814389 258058357 /nfs/dbraw/zinc/05/83/57/258058357.db2.gz RWQPDYYWRJXIPU-INIZCTEOSA-N 1 1 343.448 3.783 50 0 EHAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000031814389 258058359 /nfs/dbraw/zinc/05/83/59/258058359.db2.gz RWQPDYYWRJXIPU-INIZCTEOSA-N 1 1 343.448 3.783 50 0 EHAAMO CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000299767851 258081931 /nfs/dbraw/zinc/08/19/31/258081931.db2.gz WGSJGXVLMSXCSF-AWEZNQCLSA-N 1 1 328.378 3.508 50 0 EHAAMO COc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1OC ZINC000055544019 132196245 /nfs/dbraw/zinc/19/62/45/132196245.db2.gz QHKJYDDEDHQEOY-UHFFFAOYSA-N 1 1 346.858 3.679 50 0 EHAAMO CC(C)c1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)no1 ZINC000123247914 222242157 /nfs/dbraw/zinc/24/21/57/222242157.db2.gz NEDPESVUNPOVNB-INIZCTEOSA-N 1 1 341.455 3.535 50 0 EHAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216104619 536456397 /nfs/dbraw/zinc/45/63/97/536456397.db2.gz VNNKANAHIAXOPG-UHFFFAOYSA-N 1 1 340.515 3.935 50 0 EHAAMO CCOc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1O ZINC000055544080 535672809 /nfs/dbraw/zinc/67/28/09/535672809.db2.gz BUQSOSHORULYRI-UHFFFAOYSA-N 1 1 346.858 3.767 50 0 EHAAMO COc1ccc(NC(=O)COc2cc[nH+]c3c2CCCC3)cc1Cl ZINC000207012556 536774746 /nfs/dbraw/zinc/77/47/46/536774746.db2.gz HSQZIEWAUKIAPB-UHFFFAOYSA-N 1 1 346.814 3.640 50 0 EHAAMO O=C(NC1CCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000000455475 563323600 /nfs/dbraw/zinc/32/36/00/563323600.db2.gz OGJWFPOCBXCIQA-UHFFFAOYSA-N 1 1 338.854 3.750 50 0 EHAAMO Cc1c2cc(C)ccc2oc1C(=O)N1CCN(c2cccc(C)[nH+]2)CC1 ZINC000012507345 563661952 /nfs/dbraw/zinc/66/19/52/563661952.db2.gz KHBVEHUHNYHRBY-UHFFFAOYSA-N 1 1 349.434 3.715 50 0 EHAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012588277 563664293 /nfs/dbraw/zinc/66/42/93/563664293.db2.gz GWESYNIWBKCHQE-HNNXBMFYSA-N 1 1 335.835 3.781 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)c1 ZINC000012597479 563664994 /nfs/dbraw/zinc/66/49/94/563664994.db2.gz JNFVETBZQSKZGV-QFIPXVFZSA-N 1 1 339.479 3.821 50 0 EHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000012792573 563671876 /nfs/dbraw/zinc/67/18/76/563671876.db2.gz DCELULZCNMTGCD-ZIAGYGMSSA-N 1 1 329.469 3.873 50 0 EHAAMO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000032759815 563726451 /nfs/dbraw/zinc/72/64/51/563726451.db2.gz LQAUEFSMGREZJN-MRXNPFEDSA-N 1 1 342.487 3.634 50 0 EHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2C1 ZINC000015880174 563799397 /nfs/dbraw/zinc/79/93/97/563799397.db2.gz DKHGARJLOSLTFC-UHFFFAOYSA-N 1 1 345.468 3.561 50 0 EHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2C1 ZINC000015880174 563799399 /nfs/dbraw/zinc/79/93/99/563799399.db2.gz DKHGARJLOSLTFC-UHFFFAOYSA-N 1 1 345.468 3.561 50 0 EHAAMO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000016624382 563817795 /nfs/dbraw/zinc/81/77/95/563817795.db2.gz WPQOPUXNGIUGIE-UHFFFAOYSA-N 1 1 328.460 3.688 50 0 EHAAMO Cc1nc(C2CC[NH+](Cc3cc(Br)cs3)CC2)no1 ZINC000069949142 563888367 /nfs/dbraw/zinc/88/83/67/563888367.db2.gz UPSALRIJKCIBQF-UHFFFAOYSA-N 1 1 342.262 3.582 50 0 EHAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccs1 ZINC000027583757 563897209 /nfs/dbraw/zinc/89/72/09/563897209.db2.gz YLAXVJJLLJSDHW-OAHLLOKOSA-N 1 1 334.872 3.968 50 0 EHAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000070039699 563904090 /nfs/dbraw/zinc/90/40/90/563904090.db2.gz UIGJZRQVCDUOOD-SOUVJXGZSA-N 1 1 325.416 3.542 50 0 EHAAMO C[N@@H+](CC(=O)Nc1cccc2ncccc21)[C@@H]1CCc2ccccc21 ZINC000029489429 563906715 /nfs/dbraw/zinc/90/67/15/563906715.db2.gz HIWYBCXAUNFPFL-HXUWFJFHSA-N 1 1 331.419 3.793 50 0 EHAAMO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2ccccc21 ZINC000029488679 563906742 /nfs/dbraw/zinc/90/67/42/563906742.db2.gz ZDHHMCYHEJZULS-HXUWFJFHSA-N 1 1 348.446 3.682 50 0 EHAAMO 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348.468 3.768 50 0 EHAAMO CCCc1[nH+]ccn1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000067675516 215180631 /nfs/dbraw/zinc/18/06/31/215180631.db2.gz YDGVNOXJDZWWBN-UHFFFAOYSA-N 1 1 329.375 3.995 50 0 EHAAMO COc1ccc2cc(C[N@@H+](C)Cc3sccc3C)c(=O)[nH]c2c1 ZINC000067847362 215230352 /nfs/dbraw/zinc/23/03/52/215230352.db2.gz DGSWYQPTKOFOLE-UHFFFAOYSA-N 1 1 328.437 3.539 50 0 EHAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000040528275 213337168 /nfs/dbraw/zinc/33/71/68/213337168.db2.gz REZYYXDTEFBQPW-PKOBYXMFSA-N 1 1 345.464 3.528 50 0 EHAAMO CCCOc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2C)ccn1 ZINC000069442800 215417367 /nfs/dbraw/zinc/41/73/67/215417367.db2.gz YEKIHRVGZJVNEL-UHFFFAOYSA-N 1 1 336.395 3.617 50 0 EHAAMO Cc1cc2[nH]c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000039549470 213240080 /nfs/dbraw/zinc/24/00/80/213240080.db2.gz MEBLXURWZOAUFX-SFHVURJKSA-N 1 1 347.462 3.789 50 0 EHAAMO CCC[N@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036099972 213065237 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Cc1csc([C@@H](C)[N@H+](C)Cc2cccc(Cn3cccn3)c2)n1 ZINC000214978419 241098974 /nfs/dbraw/zinc/09/89/74/241098974.db2.gz CRHPQJSQGNIVHE-OAHLLOKOSA-N 1 1 326.469 3.889 50 0 EHAAMO Cc1csc([C@@H](C)[N@@H+](C)Cc2cccc(Cn3cccn3)c2)n1 ZINC000214978419 241098980 /nfs/dbraw/zinc/09/89/80/241098980.db2.gz CRHPQJSQGNIVHE-OAHLLOKOSA-N 1 1 326.469 3.889 50 0 EHAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cc3c(cc2C)OCCO3)c1 ZINC000215193453 241110996 /nfs/dbraw/zinc/11/09/96/241110996.db2.gz GFFRLNAHEBNSGK-GOSISDBHSA-N 1 1 325.408 3.722 50 0 EHAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000215236799 241113564 /nfs/dbraw/zinc/11/35/64/241113564.db2.gz SZYAQRCDQLMVCO-OAQYLSRUSA-N 1 1 333.435 3.887 50 0 EHAAMO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)[nH]1 ZINC000216502133 241198838 /nfs/dbraw/zinc/19/88/38/241198838.db2.gz VKWREQDTDODBJU-LJQANCHMSA-N 1 1 347.890 3.808 50 0 EHAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@](O)(c3ccccc3C)C2)[nH]1 ZINC000216502133 241198843 /nfs/dbraw/zinc/19/88/43/241198843.db2.gz 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50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077469825 563969800 /nfs/dbraw/zinc/96/98/00/563969800.db2.gz WVYKVDUOYMFYSA-OAHLLOKOSA-N 1 1 334.891 3.748 50 0 EHAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000077538189 563970272 /nfs/dbraw/zinc/97/02/72/563970272.db2.gz OGULGTCNOMRSIM-HNNXBMFYSA-N 1 1 338.854 3.846 50 0 EHAAMO Cc1ccccc1[C@H](C(=O)NCc1ccc(F)cc1Cl)[NH+](C)C ZINC000095499435 563977070 /nfs/dbraw/zinc/97/70/70/563977070.db2.gz KSYCFQPXHIANKL-QGZVFWFLSA-N 1 1 334.822 3.707 50 0 EHAAMO COc1cc(N[C@@H]2CCC[N@H+](Cc3ncc(C)s3)C2)cc(OC)c1 ZINC000180608012 564013446 /nfs/dbraw/zinc/01/34/46/564013446.db2.gz RJWPDSYVHGCPRZ-CQSZACIVSA-N 1 1 347.484 3.545 50 0 EHAAMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)cc(OC)c1 ZINC000180608012 564013447 /nfs/dbraw/zinc/01/34/47/564013447.db2.gz RJWPDSYVHGCPRZ-CQSZACIVSA-N 1 1 347.484 3.545 50 0 EHAAMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104702262 564023981 /nfs/dbraw/zinc/02/39/81/564023981.db2.gz DXVLMCZBRNKDFU-HXUWFJFHSA-N 1 1 347.466 3.910 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000107340594 564026869 /nfs/dbraw/zinc/02/68/69/564026869.db2.gz NJJLBHFGSABEQL-CRAIPNDOSA-N 1 1 333.435 3.733 50 0 EHAAMO Clc1cccc(-c2cnc(C[N@@H+](C[C@H]3CCOC3)C3CC3)o2)c1 ZINC000044938032 564027808 /nfs/dbraw/zinc/02/78/08/564027808.db2.gz JXKRCEVSJMOYJW-CYBMUJFWSA-N 1 1 332.831 3.996 50 0 EHAAMO Cc1cn2c(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)c(C)nc2s1 ZINC000222089794 564036738 /nfs/dbraw/zinc/03/67/38/564036738.db2.gz IJCMEEVLYUYNTH-GDBMZVCRSA-N 1 1 345.468 3.694 50 0 EHAAMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000225603542 564048292 /nfs/dbraw/zinc/04/82/92/564048292.db2.gz ANERHEYPLKFHOA-DYVFJYSZSA-N 1 1 326.831 3.966 50 0 EHAAMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000225603542 564048293 /nfs/dbraw/zinc/04/82/93/564048293.db2.gz ANERHEYPLKFHOA-DYVFJYSZSA-N 1 1 326.831 3.966 50 0 EHAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2ccccc2n1 ZINC000124480539 564051353 /nfs/dbraw/zinc/05/13/53/564051353.db2.gz YMOZQZRNJWPJKY-UHFFFAOYSA-N 1 1 347.462 3.959 50 0 EHAAMO CC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc2[nH]ccc2c1 ZINC000241171007 564051897 /nfs/dbraw/zinc/05/18/97/564051897.db2.gz KDMXWJFZMOOEBW-UHFFFAOYSA-N 1 1 325.387 3.768 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc2[nH]ccc2c1 ZINC000241171007 564051898 /nfs/dbraw/zinc/05/18/98/564051898.db2.gz KDMXWJFZMOOEBW-UHFFFAOYSA-N 1 1 325.387 3.768 50 0 EHAAMO O=C(CC[N@H+]1CCCC[C@@H]1c1ccccn1)Nc1ccccc1F ZINC000252483796 564053432 /nfs/dbraw/zinc/05/34/32/564053432.db2.gz FINQUSWUJONYTJ-GOSISDBHSA-N 1 1 327.403 3.777 50 0 EHAAMO Cc1nnc([C@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271970 564065312 /nfs/dbraw/zinc/06/53/12/564065312.db2.gz CAFNUFOHQLFTCI-CABCVRRESA-N 1 1 336.549 3.884 50 0 EHAAMO c1cc2[nH+]ccc(NCc3ccnc(OC4CCOCC4)c3)c2s1 ZINC000084613391 564069110 /nfs/dbraw/zinc/06/91/10/564069110.db2.gz 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CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000252671053 564124838 /nfs/dbraw/zinc/12/48/38/564124838.db2.gz MNPAUIWVVPKAOQ-YPMHNXCESA-N 1 1 327.831 3.816 50 0 EHAAMO Cc1nnc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000253418356 564130898 /nfs/dbraw/zinc/13/08/98/564130898.db2.gz CQGIJLSNEJPASB-KGLIPLIRSA-N 1 1 337.514 3.776 50 0 EHAAMO Cc1nnc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000253418356 564130899 /nfs/dbraw/zinc/13/08/99/564130899.db2.gz CQGIJLSNEJPASB-KGLIPLIRSA-N 1 1 337.514 3.776 50 0 EHAAMO Cc1sc2ncnc(N[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)c2c1C ZINC000095467623 564141135 /nfs/dbraw/zinc/14/11/35/564141135.db2.gz LKXVICHOVBNYEP-CVEARBPZSA-N 1 1 338.480 3.818 50 0 EHAAMO c1cc2[nH+]ccc(N3CCn4c(nnc4-c4ccccc4)C3)c2s1 ZINC000096436793 564148022 /nfs/dbraw/zinc/14/80/22/564148022.db2.gz ACEVLSHIQDWKKN-UHFFFAOYSA-N 1 1 333.420 3.575 50 0 EHAAMO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1ccccc1 ZINC000002638959 564151621 /nfs/dbraw/zinc/15/16/21/564151621.db2.gz 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564156163 /nfs/dbraw/zinc/15/61/63/564156163.db2.gz YTOIGERAHJFZLV-UHFFFAOYSA-N 1 1 333.867 3.686 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000003292705 564157084 /nfs/dbraw/zinc/15/70/84/564157084.db2.gz ZZHSRMSYRWWEDN-CQSZACIVSA-N 1 1 339.464 3.797 50 0 EHAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2sccc2Cl)C1 ZINC000670460041 564160999 /nfs/dbraw/zinc/16/09/99/564160999.db2.gz DCJRVGPPLCYONB-CQSZACIVSA-N 1 1 348.899 3.929 50 0 EHAAMO Cc1csc2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)cc(=O)n12 ZINC000007988368 564161918 /nfs/dbraw/zinc/16/19/18/564161918.db2.gz FUBOTKKOYJQDHI-KRWDZBQOSA-N 1 1 339.464 3.574 50 0 EHAAMO CC(C)(C)c1ccc(=O)n(C[NH2+][C@@H](c2cccs2)C(C)(C)C)n1 ZINC000066792942 564164107 /nfs/dbraw/zinc/16/41/07/564164107.db2.gz UFHRZXLXXUSRTB-INIZCTEOSA-N 1 1 333.501 3.937 50 0 EHAAMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000008533239 564165616 /nfs/dbraw/zinc/16/56/16/564165616.db2.gz BOBNILHPUQNFFV-MRXNPFEDSA-N 1 1 326.440 3.853 50 0 EHAAMO C[C@H]([C@H](C)[NH2+]Cc1csc(COc2ccccc2)n1)n1cccn1 ZINC000069655990 564171204 /nfs/dbraw/zinc/17/12/04/564171204.db2.gz GDENUZPTJUUGDN-LSDHHAIUSA-N 1 1 342.468 3.658 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 ZINC000069922120 564172840 /nfs/dbraw/zinc/17/28/40/564172840.db2.gz FUSUFTDUTMLTCZ-OIISXLGYSA-N 1 1 341.430 3.552 50 0 EHAAMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000071853199 564176037 /nfs/dbraw/zinc/17/60/37/564176037.db2.gz XEUIEDADZZNTFS-UHFFFAOYSA-N 1 1 346.833 3.827 50 0 EHAAMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000071853199 564176038 /nfs/dbraw/zinc/17/60/38/564176038.db2.gz XEUIEDADZZNTFS-UHFFFAOYSA-N 1 1 346.833 3.827 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000071875898 564176244 /nfs/dbraw/zinc/17/62/44/564176244.db2.gz BKFRKRPGJXCBNZ-GOSISDBHSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000071875898 564176245 /nfs/dbraw/zinc/17/62/45/564176245.db2.gz 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332.414 3.661 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1ccc(CC)cc1)C1CC1 ZINC000952970222 1137484079 /nfs/dbraw/zinc/48/40/79/1137484079.db2.gz TZTUYZPIROSHQK-UHFFFAOYSA-N 1 1 325.456 3.589 50 0 EHAAMO CC[N@@H+](C)C1(CNc2nccc(-c3cccnc3)n2)CCCCC1 ZINC000097635105 219042650 /nfs/dbraw/zinc/04/26/50/219042650.db2.gz BDRPBHVYOOYZDH-UHFFFAOYSA-N 1 1 325.460 3.605 50 0 EHAAMO COC(=O)c1cc(C[N@H+](C)Cc2cccc(OC(C)C)c2)oc1C ZINC000051153692 214081243 /nfs/dbraw/zinc/08/12/43/214081243.db2.gz FWIJFYKMXSPQGI-UHFFFAOYSA-N 1 1 331.412 3.794 50 0 EHAAMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)oc1C ZINC000051153692 214081245 /nfs/dbraw/zinc/08/12/45/214081245.db2.gz FWIJFYKMXSPQGI-UHFFFAOYSA-N 1 1 331.412 3.794 50 0 EHAAMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000053233563 214171160 /nfs/dbraw/zinc/17/11/60/214171160.db2.gz IZRZBAAFLPJAGZ-ZDUSSCGKSA-N 1 1 327.815 3.541 50 0 EHAAMO CC(C)c1nc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000097743238 219053817 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C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000022979099 212341062 /nfs/dbraw/zinc/34/10/62/212341062.db2.gz QKQAHYNLPCPOJO-UHFFFAOYSA-N 1 1 336.391 3.745 50 0 EHAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000022979099 212341064 /nfs/dbraw/zinc/34/10/64/212341064.db2.gz QKQAHYNLPCPOJO-UHFFFAOYSA-N 1 1 336.391 3.745 50 0 EHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000215830045 241150226 /nfs/dbraw/zinc/15/02/26/241150226.db2.gz BFVMJXCCSYMPKN-QGZVFWFLSA-N 1 1 349.482 3.807 50 0 EHAAMO C[N@H+](Cc1cnc(C2CCCCC2)nc1)C[C@@H](O)c1ccccc1 ZINC000215492856 241128004 /nfs/dbraw/zinc/12/80/04/241128004.db2.gz JBMUJBUFGYWXDR-LJQANCHMSA-N 1 1 325.456 3.690 50 0 EHAAMO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021898617 212260789 /nfs/dbraw/zinc/26/07/89/212260789.db2.gz QBUMKQMUKLULSM-PXNSSMCTSA-N 1 1 334.463 3.576 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021719907 212244666 /nfs/dbraw/zinc/24/46/66/212244666.db2.gz KULXTWXYTIJPJT-SFHVURJKSA-N 1 1 338.411 3.719 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021719907 212244668 /nfs/dbraw/zinc/24/46/68/212244668.db2.gz KULXTWXYTIJPJT-SFHVURJKSA-N 1 1 338.411 3.719 50 0 EHAAMO Cc1nn(C)c(Cl)c1CN[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000020994275 212194598 /nfs/dbraw/zinc/19/45/98/212194598.db2.gz OTBUPNIAZRXRPY-MRXNPFEDSA-N 1 1 338.927 3.516 50 0 EHAAMO O=C(c1ccco1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530711 212143624 /nfs/dbraw/zinc/14/36/24/212143624.db2.gz HYHXUYDBWJDNKB-UHFFFAOYSA-N 1 1 344.414 3.807 50 0 EHAAMO C/C=C/c1ccc(OCCCCN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020406358 212125869 /nfs/dbraw/zinc/12/58/69/212125869.db2.gz NEYNGVZPWCJUMP-XBXARRHUSA-N 1 1 332.488 3.525 50 0 EHAAMO COCc1ccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000020206186 212112580 /nfs/dbraw/zinc/11/25/80/212112580.db2.gz BHVJUKDYKHRGCC-LJQANCHMSA-N 1 1 342.483 3.565 50 0 EHAAMO C[C@@H]1C[NH+](CCOCCSc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020167260 212108440 /nfs/dbraw/zinc/10/84/40/212108440.db2.gz OOVLVMWSMGXCRD-ZIAGYGMSSA-N 1 1 329.893 3.558 50 0 EHAAMO CC[C@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100612 212100382 /nfs/dbraw/zinc/10/03/82/212100382.db2.gz JYIJHNFELFWLLM-LBPRGKRZSA-N 1 1 326.843 3.606 50 0 EHAAMO CCC1(CC)Cc2ccccc2-c2nc(C[NH+]3CCCC3)[nH]c(=O)c21 ZINC000020029321 212094981 /nfs/dbraw/zinc/09/49/81/212094981.db2.gz JMHXRRRGWOGSAG-UHFFFAOYSA-N 1 1 337.467 3.647 50 0 EHAAMO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)c2cccs2)cc1 ZINC000078725980 217109142 /nfs/dbraw/zinc/10/91/42/217109142.db2.gz LHXUSGKUSRRYOD-KXBFYZLASA-N 1 1 328.481 3.604 50 0 EHAAMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000080960530 217344419 /nfs/dbraw/zinc/34/44/19/217344419.db2.gz SJPPVDJSRIFZNX-CABCVRRESA-N 1 1 337.427 3.709 50 0 EHAAMO CCCO[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012387348 211364181 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Cc1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccc(C)cc2)nc1C ZINC000257173368 563984269 /nfs/dbraw/zinc/98/42/69/563984269.db2.gz LLMSVQPYFVAERY-UHFFFAOYSA-N 1 1 348.450 3.690 50 0 EHAAMO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCN1CCCC1 ZINC000061030874 563992394 /nfs/dbraw/zinc/99/23/94/563992394.db2.gz UOCOEYFAAMGLFI-UHFFFAOYSA-N 1 1 346.906 3.636 50 0 EHAAMO CC1([C@@H]2CCC[N@@H+](CCCc3cncc4ccccc43)C2)OCCO1 ZINC000408514409 563992702 /nfs/dbraw/zinc/99/27/02/563992702.db2.gz YOHGHJVXONZQLU-LJQANCHMSA-N 1 1 340.467 3.642 50 0 EHAAMO COc1ccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC000000485822 564016994 /nfs/dbraw/zinc/01/69/94/564016994.db2.gz VNFDRPIDPODPFC-QGZVFWFLSA-N 1 1 337.379 3.562 50 0 biogenic EHAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000102536803 564020148 /nfs/dbraw/zinc/02/01/48/564020148.db2.gz HPZFWZRVZYQFJM-IAGOWNOFSA-N 1 1 329.488 3.736 50 0 EHAAMO C[C@@H]1C[C@@H](Nc2cccc(C[S@@](C)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000108366542 564028196 /nfs/dbraw/zinc/02/81/96/564028196.db2.gz FEOVLFAYSJYCTK-MYRUOYEDSA-N 1 1 342.508 3.640 50 0 EHAAMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccnc1 ZINC000108462353 564028234 /nfs/dbraw/zinc/02/82/34/564028234.db2.gz OLABQPSSDSFUMP-IXDOHACOSA-N 1 1 325.456 3.864 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000048287055 564030510 /nfs/dbraw/zinc/03/05/10/564030510.db2.gz LAZMADIPOGCJSZ-NJYVYQBISA-N 1 1 340.511 3.875 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1 ZINC000048280117 564030657 /nfs/dbraw/zinc/03/06/57/564030657.db2.gz ZWEDJFGTSHSGJD-IBGZPJMESA-N 1 1 338.455 3.600 50 0 EHAAMO CC(C)[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000073621938 564060859 /nfs/dbraw/zinc/06/08/59/564060859.db2.gz NWFNHOLCDKVKDT-ZDUSSCGKSA-N 1 1 329.893 3.623 50 0 EHAAMO O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000084451881 564068217 /nfs/dbraw/zinc/06/82/17/564068217.db2.gz PYXHMZIGBYHFKV-TZIWHRDSSA-N 1 1 338.495 3.654 50 0 EHAAMO c1cc2[nH+]ccc(N3CCC[C@@H]3c3nnc4n3CCCCC4)c2s1 ZINC000084614930 564069105 /nfs/dbraw/zinc/06/91/05/564069105.db2.gz IXPZBJDHVOEVJX-OAHLLOKOSA-N 1 1 339.468 3.956 50 0 EHAAMO CCc1cnc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)s1 ZINC000561985700 564073027 /nfs/dbraw/zinc/07/30/27/564073027.db2.gz IICMWBCGUBZFLP-PKOBYXMFSA-N 1 1 338.480 3.920 50 0 EHAAMO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)no1 ZINC000063619620 564073484 /nfs/dbraw/zinc/07/34/84/564073484.db2.gz NLNVVHCRUPDECH-KRWDZBQOSA-N 1 1 327.428 3.766 50 0 EHAAMO C[N@@H+](Cc1cccc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012892680 564077617 /nfs/dbraw/zinc/07/76/17/564077617.db2.gz BPSQDZMIQNYCFL-UHFFFAOYSA-N 1 1 329.403 3.708 50 0 EHAAMO C[N@H+](Cc1cccc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012892680 564077618 /nfs/dbraw/zinc/07/76/18/564077618.db2.gz BPSQDZMIQNYCFL-UHFFFAOYSA-N 1 1 329.403 3.708 50 0 EHAAMO C[C@H](Cc1nnc(SCC[N@H+]2CC[C@H](C)C2)o1)c1ccccc1 ZINC000075108800 564080245 /nfs/dbraw/zinc/08/02/45/564080245.db2.gz NJPBDOVIJOJABW-LSDHHAIUSA-N 1 1 331.485 3.850 50 0 EHAAMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc([S@](C)=O)cc1 ZINC000090572628 564084805 /nfs/dbraw/zinc/08/48/05/564084805.db2.gz FHKJNQCFOAODAB-LFVRLGFBSA-N 1 1 331.485 3.586 50 0 EHAAMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000089420470 564090517 /nfs/dbraw/zinc/09/05/17/564090517.db2.gz PLRPQKFQDJHHRG-KRWDZBQOSA-N 1 1 348.450 3.551 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@@H+]2CC2CCN(C(=O)CC(C)C)CC2)n1 ZINC000370196147 564096185 /nfs/dbraw/zinc/09/61/85/564096185.db2.gz XJFJWQYTLRKXKZ-HXUWFJFHSA-N 1 1 343.515 3.812 50 0 EHAAMO Cc1ccccc1CNC(=O)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000064818051 564096475 /nfs/dbraw/zinc/09/64/75/564096475.db2.gz SEJKKJKVTNPCEH-UHFFFAOYSA-N 1 1 338.426 3.583 50 0 EHAAMO CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cc(C)cc[nH+]1)CO3 ZINC000006818022 564098781 /nfs/dbraw/zinc/09/87/81/564098781.db2.gz DQZFNNCFQCGQDJ-UHFFFAOYSA-N 1 1 336.391 3.724 50 0 EHAAMO COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000006949334 564102103 /nfs/dbraw/zinc/10/21/03/564102103.db2.gz UNIOPIHHZCUNIF-HOTGVXAUSA-N 1 1 335.488 3.607 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487770 564106371 /nfs/dbraw/zinc/10/63/71/564106371.db2.gz GSJSCQHRINJNBK-CABCVRRESA-N 1 1 339.443 3.941 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487770 564106372 /nfs/dbraw/zinc/10/63/72/564106372.db2.gz GSJSCQHRINJNBK-CABCVRRESA-N 1 1 339.443 3.941 50 0 EHAAMO Cc1[nH]ncc1C[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000065549633 564107418 /nfs/dbraw/zinc/10/74/18/564107418.db2.gz NOGJLCCASDHNAE-NXEZZACHSA-N 1 1 329.288 3.717 50 0 EHAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007362651 564107531 /nfs/dbraw/zinc/10/75/31/564107531.db2.gz JJOBIIVVFDDVKW-RHSMWYFYSA-N 1 1 344.480 3.599 50 0 EHAAMO CCOCCC[N@H+]1Cc2ccc(NC(=O)[C@H]3CC=CCC3)cc2C1 ZINC000065588720 564107889 /nfs/dbraw/zinc/10/78/89/564107889.db2.gz ZQOFPCKGQHBHEY-INIZCTEOSA-N 1 1 328.456 3.724 50 0 EHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1csc(Cl)n1 ZINC000253428069 564131226 /nfs/dbraw/zinc/13/12/26/564131226.db2.gz HTKXMVKSJRQFFA-AWEZNQCLSA-N 1 1 335.904 3.893 50 0 EHAAMO CCc1nc(-c2cccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2)ccc1C ZINC000584900269 564131681 /nfs/dbraw/zinc/13/16/81/564131681.db2.gz LVDLIHCZLCQSNO-LJQANCHMSA-N 1 1 349.478 3.540 50 0 EHAAMO C[N@@H+](CCCCCF)C1CCN(c2ncnc3ccccc32)CC1 ZINC000225467580 564135059 /nfs/dbraw/zinc/13/50/59/564135059.db2.gz QWGDSZJFHCJOTL-UHFFFAOYSA-N 1 1 330.451 3.670 50 0 EHAAMO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095958175 564142606 /nfs/dbraw/zinc/14/26/06/564142606.db2.gz QBIAFLACXLVAPU-LSTHTHJFSA-N 1 1 341.499 3.796 50 0 EHAAMO COC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1)c1ccco1 ZINC000095968842 564143241 /nfs/dbraw/zinc/14/32/41/564143241.db2.gz IDHKUPZBVDSQFF-YOEHRIQHSA-N 1 1 345.443 3.848 50 0 EHAAMO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2ccc(CO)o2)C3)cs1 ZINC000095999567 564144379 /nfs/dbraw/zinc/14/43/79/564144379.db2.gz CMWZZYCXOYANKX-UHFFFAOYSA-N 1 1 346.477 3.824 50 0 EHAAMO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2ccc(CO)o2)C3)cs1 ZINC000095999567 564144380 /nfs/dbraw/zinc/14/43/80/564144380.db2.gz CMWZZYCXOYANKX-UHFFFAOYSA-N 1 1 346.477 3.824 50 0 EHAAMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000283143439 564148829 /nfs/dbraw/zinc/14/88/29/564148829.db2.gz ODDNUMRKQILRFW-UVBJJODRSA-N 1 1 335.448 3.635 50 0 EHAAMO Cc1nnc([C@H](C)[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000283143439 564148830 /nfs/dbraw/zinc/14/88/30/564148830.db2.gz ODDNUMRKQILRFW-UVBJJODRSA-N 1 1 335.448 3.635 50 0 EHAAMO Cc1cccc(C)c1N1C(=O)C[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1=O ZINC000097011567 564149094 /nfs/dbraw/zinc/14/90/94/564149094.db2.gz QKIQTFOCRUJQNN-LJQANCHMSA-N 1 1 348.446 3.600 50 0 EHAAMO Cc1cccc(C)c1N1C(=O)C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1=O ZINC000097011567 564149095 /nfs/dbraw/zinc/14/90/95/564149095.db2.gz QKIQTFOCRUJQNN-LJQANCHMSA-N 1 1 348.446 3.600 50 0 EHAAMO O=C(CCCc1ccccc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686260 564150289 /nfs/dbraw/zinc/15/02/89/564150289.db2.gz UDQOVPYGOCDIGC-QFIPXVFZSA-N 1 1 348.490 3.669 50 0 EHAAMO Fc1ccc(-c2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)co2)cc1 ZINC000058267385 564158302 /nfs/dbraw/zinc/15/83/02/564158302.db2.gz FHPVKYUOFSQOEM-UHFFFAOYSA-N 1 1 326.375 3.583 50 0 EHAAMO COc1c(C[NH2+][C@H]2CCSc3ccccc32)c(C(C)C)nn1C ZINC000058419024 564159080 /nfs/dbraw/zinc/15/90/80/564159080.db2.gz SNKVGEJKLKBIGV-HNNXBMFYSA-N 1 1 331.485 3.879 50 0 EHAAMO C[N@@H+](CC(=O)NCC[C@@H](c1ccco1)c1ccccc1)C1CCCC1 ZINC000670459578 564160857 /nfs/dbraw/zinc/16/08/57/564160857.db2.gz NNUYZIGXIDIPFT-LJQANCHMSA-N 1 1 340.467 3.792 50 0 EHAAMO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032512446 564161602 /nfs/dbraw/zinc/16/16/02/564161602.db2.gz GMKUXPZOZZRTHB-UHFFFAOYSA-N 1 1 347.871 3.740 50 0 EHAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032512446 564161603 /nfs/dbraw/zinc/16/16/03/564161603.db2.gz GMKUXPZOZZRTHB-UHFFFAOYSA-N 1 1 347.871 3.740 50 0 EHAAMO CC(=O)c1sc2[nH]c(C[N@@H+](C)C3CCC(C)CC3)nc(=O)c2c1C ZINC000008424826 564165193 /nfs/dbraw/zinc/16/51/93/564165193.db2.gz PMLMGEJZRPRTMF-UHFFFAOYSA-N 1 1 347.484 3.506 50 0 EHAAMO CC(=O)c1sc2[nH]c(C[N@H+](C)C3CCC(C)CC3)nc(=O)c2c1C ZINC000008424826 564165194 /nfs/dbraw/zinc/16/51/94/564165194.db2.gz PMLMGEJZRPRTMF-UHFFFAOYSA-N 1 1 347.484 3.506 50 0 EHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872115 564172572 /nfs/dbraw/zinc/17/25/72/564172572.db2.gz OXEUUKBYRCYLDP-ZWKOTPCHSA-N 1 1 347.528 3.776 50 0 EHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000069872115 564172573 /nfs/dbraw/zinc/17/25/73/564172573.db2.gz OXEUUKBYRCYLDP-ZWKOTPCHSA-N 1 1 347.528 3.776 50 0 EHAAMO Cc1nnc([C@@H](C)[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)o1 ZINC000069900721 564172742 /nfs/dbraw/zinc/17/27/42/564172742.db2.gz MPNHCDJHEYYTSQ-GFCCVEGCSA-N 1 1 343.406 3.533 50 0 EHAAMO Cc1nnc([C@@H](C)[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)o1 ZINC000069900721 564172743 /nfs/dbraw/zinc/17/27/43/564172743.db2.gz MPNHCDJHEYYTSQ-GFCCVEGCSA-N 1 1 343.406 3.533 50 0 EHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 ZINC000069919553 564172827 /nfs/dbraw/zinc/17/28/27/564172827.db2.gz WPSWWIVTWNPLJP-KRWDZBQOSA-N 1 1 340.471 3.676 50 0 EHAAMO C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCc1cccnc1 ZINC000071760026 564175241 /nfs/dbraw/zinc/17/52/41/564175241.db2.gz MYHWTKUJOUJUSH-OAHLLOKOSA-N 1 1 335.407 3.596 50 0 EHAAMO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000071828285 564175736 /nfs/dbraw/zinc/17/57/36/564175736.db2.gz XZEQURYVIXIIOX-JTQLQIEISA-N 1 1 340.221 3.713 50 0 EHAAMO C[N@@H+](CCCc1nc2ccccc2o1)C[C@H]1COc2ccccc2O1 ZINC000077409905 564176735 /nfs/dbraw/zinc/17/67/35/564176735.db2.gz PJRIBFACXQWZNH-HNNXBMFYSA-N 1 1 338.407 3.532 50 0 EHAAMO CC[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000289365925 1018328276 /nfs/dbraw/zinc/32/82/76/1018328276.db2.gz JNKDPMJBFVTHFO-PBHICJAKSA-N 1 1 331.847 3.675 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000012937538 1028008462 /nfs/dbraw/zinc/00/84/62/1028008462.db2.gz RBLAQADRKSQVJS-LIRRHRJNSA-N 1 1 342.414 3.998 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000012937538 1028008477 /nfs/dbraw/zinc/00/84/77/1028008477.db2.gz RBLAQADRKSQVJS-LIRRHRJNSA-N 1 1 342.414 3.998 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599297463 1028734222 /nfs/dbraw/zinc/73/42/22/1028734222.db2.gz RBNCVXJVJPYDED-QGZVFWFLSA-N 1 1 340.423 3.910 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599297463 1028734232 /nfs/dbraw/zinc/73/42/32/1028734232.db2.gz RBNCVXJVJPYDED-QGZVFWFLSA-N 1 1 340.423 3.910 50 0 EHAAMO FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000792939769 1030495203 /nfs/dbraw/zinc/49/52/03/1030495203.db2.gz IGCXHSGEPSCIEJ-MRXNPFEDSA-N 1 1 329.362 3.587 50 0 EHAAMO CC(C)[N@H+]1CCCC[C@H]1CCn1cnc2cc(Cl)ccc2c1=O ZINC000032581808 1036054213 /nfs/dbraw/zinc/05/42/13/1036054213.db2.gz SRCXPZMRUNGDDC-HNNXBMFYSA-N 1 1 333.863 3.703 50 0 EHAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000530706100 1128744828 /nfs/dbraw/zinc/74/48/28/1128744828.db2.gz IGKPRDJGHBAJJB-ZDUSSCGKSA-N 1 1 347.488 3.642 50 0 EHAAMO CCC[C@H](C[NH+]1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000180228390 1123965851 /nfs/dbraw/zinc/96/58/51/1123965851.db2.gz WRXULNOPDJQHSM-OAQYLSRUSA-N 1 1 330.516 3.615 50 0 EHAAMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(N2CCCC2=O)c1 ZINC000182118217 1125173490 /nfs/dbraw/zinc/17/34/90/1125173490.db2.gz BRPCRRLPRXLQGC-ZDUSSCGKSA-N 1 1 329.831 3.713 50 0 EHAAMO c1ccc(N2CC[C@@H](NCC3([NH+]4CCCCC4)CCCC3)C2)cc1 ZINC000820414238 1130869988 /nfs/dbraw/zinc/86/99/88/1130869988.db2.gz XVFDFYWXPMMZKC-LJQANCHMSA-N 1 1 327.516 3.654 50 0 EHAAMO Cc1[nH+]ccn1CC(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 ZINC000822416764 1130991830 /nfs/dbraw/zinc/99/18/30/1130991830.db2.gz DXNVVUKFKHPZNB-ZDUSSCGKSA-N 1 1 346.862 3.720 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000181141582 1131047058 /nfs/dbraw/zinc/04/70/58/1131047058.db2.gz OLDKURQDDFNQQI-HNNXBMFYSA-N 1 1 336.439 3.655 50 0 EHAAMO COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000181141582 1131047064 /nfs/dbraw/zinc/04/70/64/1131047064.db2.gz OLDKURQDDFNQQI-HNNXBMFYSA-N 1 1 336.439 3.655 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000181141582 1131047068 /nfs/dbraw/zinc/04/70/68/1131047068.db2.gz OLDKURQDDFNQQI-HNNXBMFYSA-N 1 1 336.439 3.655 50 0 EHAAMO CCc1[nH+]ccn1CCCNC(=O)C1(c2ccccc2)CCCCC1 ZINC000823557161 1131073783 /nfs/dbraw/zinc/07/37/83/1131073783.db2.gz DVLARCVUWVKOPH-UHFFFAOYSA-N 1 1 339.483 3.854 50 0 EHAAMO CC(=O)c1ccc(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)s1 ZINC000828164152 1131423864 /nfs/dbraw/zinc/42/38/64/1131423864.db2.gz NRNFQJUVPYDMMX-UHFFFAOYSA-N 1 1 339.420 3.756 50 0 EHAAMO c1ccc(CNc2ncc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cn2)cc1 ZINC000829069279 1131446826 /nfs/dbraw/zinc/44/68/26/1131446826.db2.gz PKBPKLHAZMMQBL-HXUWFJFHSA-N 1 1 345.450 3.821 50 0 EHAAMO c1ccc(CNc2ncc(C[N@H+]3CCC[C@@H]3c3cccnc3)cn2)cc1 ZINC000829069279 1131446828 /nfs/dbraw/zinc/44/68/28/1131446828.db2.gz PKBPKLHAZMMQBL-HXUWFJFHSA-N 1 1 345.450 3.821 50 0 EHAAMO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C[C@H]2O)c1 ZINC000065370449 1132055431 /nfs/dbraw/zinc/05/54/31/1132055431.db2.gz KLRCAABHFWWRMN-RBBKRZOGSA-N 1 1 348.446 3.594 50 0 EHAAMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC000191851297 1136813953 /nfs/dbraw/zinc/81/39/53/1136813953.db2.gz YRPCOPIVJKBNDV-OAQYLSRUSA-N 1 1 349.478 3.672 50 0 EHAAMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)CC2CC2)CC1 ZINC000585089982 1136993121 /nfs/dbraw/zinc/99/31/21/1136993121.db2.gz RBTPCVGPZIPQGN-UHFFFAOYSA-N 1 1 345.487 3.693 50 0 EHAAMO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cs1 ZINC000952845954 1137482334 /nfs/dbraw/zinc/48/23/34/1137482334.db2.gz SXBHPOALSFNNCT-GJZGRUSLSA-N 1 1 331.485 3.788 50 0 EHAAMO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cs1 ZINC000952845954 1137482336 /nfs/dbraw/zinc/48/23/36/1137482336.db2.gz SXBHPOALSFNNCT-GJZGRUSLSA-N 1 1 331.485 3.788 50 0 EHAAMO C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2nccc3ccccc32)O1 ZINC000952854518 1137482774 /nfs/dbraw/zinc/48/27/74/1137482774.db2.gz WCHZYEXCTSWSFK-VQTJNVASSA-N 1 1 347.462 3.852 50 0 EHAAMO CNc1nc(C)cc(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000952868101 1137482994 /nfs/dbraw/zinc/48/29/94/1137482994.db2.gz BLGSRYALPUVLLH-SFHVURJKSA-N 1 1 339.487 3.856 50 0 EHAAMO O=C1CC[C@@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)CCN1CC1CC1 ZINC000952970045 1137483862 /nfs/dbraw/zinc/48/38/62/1137483862.db2.gz CBYZSXWBLZXERL-HXUWFJFHSA-N 1 1 342.458 3.706 50 0 EHAAMO CC[C@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C ZINC000952970013 1137484019 /nfs/dbraw/zinc/48/40/19/1137484019.db2.gz JEABFXUXEWSJFP-SFHVURJKSA-N 1 1 333.495 3.599 50 0 EHAAMO CC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@@H+]1C(C)C ZINC000952970013 1137484020 /nfs/dbraw/zinc/48/40/20/1137484020.db2.gz JEABFXUXEWSJFP-SFHVURJKSA-N 1 1 333.495 3.599 50 0 EHAAMO CC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@H+]1C(C)C ZINC000952970013 1137484022 /nfs/dbraw/zinc/48/40/22/1137484022.db2.gz JEABFXUXEWSJFP-SFHVURJKSA-N 1 1 333.495 3.599 50 0 EHAAMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc3nsnc3c2)[nH]1 ZINC000952976598 1137484451 /nfs/dbraw/zinc/48/44/51/1137484451.db2.gz SUTWNGHVOCADSM-UHFFFAOYSA-N 1 1 335.864 3.700 50 0 EHAAMO Cn1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc1=O ZINC000052076081 214116648 /nfs/dbraw/zinc/11/66/48/214116648.db2.gz SIEGHKRZUAZTDB-MRXNPFEDSA-N 1 1 339.464 3.722 50 0 EHAAMO CCC[N@H+]1CC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000053408869 214181028 /nfs/dbraw/zinc/18/10/28/214181028.db2.gz GLAGPJGXYVGUII-SFHVURJKSA-N 1 1 328.500 3.573 50 0 EHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COC2CCCC2)c1 ZINC000054012124 214211109 /nfs/dbraw/zinc/21/11/09/214211109.db2.gz REKLTIVJWAQJQW-UHFFFAOYSA-N 1 1 341.455 3.953 50 0 EHAAMO 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IVQNNXPHXLZQCV-BETUJISGSA-N 1 1 331.416 3.517 50 0 EHAAMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000066676296 215067166 /nfs/dbraw/zinc/06/71/66/215067166.db2.gz KPICXBLPXODKJH-GOSISDBHSA-N 1 1 326.484 3.713 50 0 EHAAMO Cc1c(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12 ZINC000067542256 215159746 /nfs/dbraw/zinc/15/97/46/215159746.db2.gz UAHILBHNHSAYKB-UHFFFAOYSA-N 1 1 331.419 3.950 50 0 EHAAMO COc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC000067561427 215162441 /nfs/dbraw/zinc/16/24/41/215162441.db2.gz LGVGBBWYHLWSKJ-NRFANRHFSA-N 1 1 344.499 3.556 50 0 EHAAMO O=c1[nH]c2cc(F)ccc2cc1C[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000067605681 215168350 /nfs/dbraw/zinc/16/83/50/215168350.db2.gz GOUZQUYFZOGTTM-UHFFFAOYSA-N 1 1 338.382 3.537 50 0 EHAAMO O=c1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c2cccc3c2n1CCC3 ZINC000067678521 215183107 /nfs/dbraw/zinc/18/31/07/215183107.db2.gz WFMCNOQCCABZFJ-FQEVSTJZSA-N 1 1 345.446 3.680 50 0 EHAAMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 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UZWIRYJKUNEIHA-SFHVURJKSA-N 1 1 331.460 3.775 50 0 EHAAMO Cc1nc([C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000072172688 216063922 /nfs/dbraw/zinc/06/39/22/216063922.db2.gz AGMJOCYWKMCYST-WPTTZPOMSA-N 1 1 327.403 3.523 50 0 EHAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837633 216313342 /nfs/dbraw/zinc/31/33/42/216313342.db2.gz WRQZTGILGDQVEO-LSDHHAIUSA-N 1 1 335.448 3.982 50 0 EHAAMO Clc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023191678 212359654 /nfs/dbraw/zinc/35/96/54/212359654.db2.gz HTJADYIXIUASGO-UHFFFAOYSA-N 1 1 338.842 3.657 50 0 EHAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)nc2)on1 ZINC000215314402 241116760 /nfs/dbraw/zinc/11/67/60/241116760.db2.gz UOYBNPGRPUJZAD-CQSZACIVSA-N 1 1 326.425 3.839 50 0 EHAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(-c3cccs3)nc2)on1 ZINC000215314402 241116767 /nfs/dbraw/zinc/11/67/67/241116767.db2.gz UOYBNPGRPUJZAD-CQSZACIVSA-N 1 1 326.425 3.839 50 0 EHAAMO O[C@H](CCc1ccccc1)C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000215773320 241142882 /nfs/dbraw/zinc/14/28/82/241142882.db2.gz INTDNNWBTSKXIU-HXUWFJFHSA-N 1 1 344.886 3.941 50 0 EHAAMO CC(=O)Nc1ccc2nc(C[N@H+]3CCC[C@@H]3c3ccccn3)ccc2c1 ZINC000215752364 241145180 /nfs/dbraw/zinc/14/51/80/241145180.db2.gz KSOWXYYGIVLFCR-OAQYLSRUSA-N 1 1 346.434 3.925 50 0 EHAAMO CCCCC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000021794019 212250307 /nfs/dbraw/zinc/25/03/07/212250307.db2.gz GBOZCNUJADQXEW-UHFFFAOYSA-N 1 1 327.432 3.723 50 0 EHAAMO CCCCC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000021794019 212250310 /nfs/dbraw/zinc/25/03/10/212250310.db2.gz GBOZCNUJADQXEW-UHFFFAOYSA-N 1 1 327.432 3.723 50 0 EHAAMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225729082 242008013 /nfs/dbraw/zinc/00/80/13/242008013.db2.gz RILFARAQJKSPHG-CZUORRHYSA-N 1 1 349.862 3.558 50 0 EHAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2CC)ccc1O ZINC000021720958 212244342 /nfs/dbraw/zinc/24/43/42/212244342.db2.gz DGKJVZXCGJSWMU-HNNXBMFYSA-N 1 1 330.428 3.987 50 0 EHAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229724486 242194578 /nfs/dbraw/zinc/19/45/78/242194578.db2.gz HWKYAZIXSGNSND-RTWAWAEBSA-N 1 1 334.463 3.639 50 0 EHAAMO Cc1cc(C)c([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000133159489 223392717 /nfs/dbraw/zinc/39/27/17/223392717.db2.gz BCNBZUKKZNZDKJ-OALUTQOASA-N 1 1 330.516 3.763 50 0 EHAAMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1C ZINC000133159489 223392718 /nfs/dbraw/zinc/39/27/18/223392718.db2.gz BCNBZUKKZNZDKJ-OALUTQOASA-N 1 1 330.516 3.763 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Nc3ccccc3F)C2)cc1 ZINC000020889897 212181263 /nfs/dbraw/zinc/18/12/63/212181263.db2.gz ZPWSEUPNCAUIDX-KRWDZBQOSA-N 1 1 341.430 3.778 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000244608508 243043290 /nfs/dbraw/zinc/04/32/90/243043290.db2.gz FDYCJIGSJPKLPP-OAHLLOKOSA-N 1 1 327.497 3.869 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000244673703 243055417 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COc1cccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000019370602 212023421 /nfs/dbraw/zinc/02/34/21/212023421.db2.gz VZUGKQQMFKSHKB-UHFFFAOYSA-N 1 1 330.859 3.666 50 0 EHAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(F)c(OC)c2)CC1 ZINC000012588641 211417707 /nfs/dbraw/zinc/41/77/07/211417707.db2.gz LNDOQPNFJQXXBO-UHFFFAOYSA-N 1 1 349.446 3.780 50 0 EHAAMO O=C(CC[C@H]1CCC[N@H+](C23CC4CC(CC(C4)C2)C3)C1)NC1CC1 ZINC000012430621 211377833 /nfs/dbraw/zinc/37/78/33/211377833.db2.gz OJHHAGUGMFYKFQ-NEFAXPCMSA-N 1 1 330.516 3.726 50 0 EHAAMO Cc1ccccc1C[N@H+]1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012439814 211382292 /nfs/dbraw/zinc/38/22/92/211382292.db2.gz GPISMHOZYOQRTE-NRFANRHFSA-N 1 1 327.443 3.951 50 0 EHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1C ZINC000012432070 211379316 /nfs/dbraw/zinc/37/93/16/211379316.db2.gz XAMJTDVBOLHIDT-GOSISDBHSA-N 1 1 338.451 3.802 50 0 EHAAMO CCC(=O)NC[C@@H](C)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012332844 211349339 /nfs/dbraw/zinc/34/93/39/211349339.db2.gz 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ZINC000091770499 218063183 /nfs/dbraw/zinc/06/31/83/218063183.db2.gz IXUMISZGUXLYKI-FQEVSTJZSA-N 1 1 327.472 3.542 50 0 EHAAMO CC[N@@H+](C)C1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1 ZINC000091914764 218088014 /nfs/dbraw/zinc/08/80/14/218088014.db2.gz LTNKHEQFUMSYLW-GOSISDBHSA-N 1 1 328.500 3.877 50 0 EHAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000092062200 218112100 /nfs/dbraw/zinc/11/21/00/218112100.db2.gz SOYAESOWRANTSH-GOSISDBHSA-N 1 1 331.485 3.622 50 0 EHAAMO Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000010258805 211158428 /nfs/dbraw/zinc/15/84/28/211158428.db2.gz OJKGMHRXQDAZPT-UHFFFAOYSA-N 1 1 341.430 3.874 50 0 EHAAMO Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000010258805 211158431 /nfs/dbraw/zinc/15/84/31/211158431.db2.gz OJKGMHRXQDAZPT-UHFFFAOYSA-N 1 1 341.430 3.874 50 0 EHAAMO CC(C)c1ccc(C[N@@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)cc1 ZINC000009384755 211078036 /nfs/dbraw/zinc/07/80/36/211078036.db2.gz AIFBWDSOTSFTLV-UHFFFAOYSA-N 1 1 347.462 3.983 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095360890 218293977 /nfs/dbraw/zinc/29/39/77/218293977.db2.gz BCEMJHDFBHCPKJ-MRXNPFEDSA-N 1 1 330.501 3.828 50 0 EHAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000095407646 218343892 /nfs/dbraw/zinc/34/38/92/218343892.db2.gz HKUYSUZEHVTNJD-INIZCTEOSA-N 1 1 333.476 3.588 50 0 EHAAMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccco1 ZINC000095422407 218364899 /nfs/dbraw/zinc/36/48/99/218364899.db2.gz HUJCNKGNKMHROU-ZIAGYGMSSA-N 1 1 332.419 3.792 50 0 EHAAMO C[C@@H]([NH2+][C@@H](c1nccs1)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000095423354 218366225 /nfs/dbraw/zinc/36/62/25/218366225.db2.gz MSGNTEUWYJDNBY-MLGOLLRUSA-N 1 1 343.452 3.902 50 0 EHAAMO Cc1c2ccccc2oc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000095531658 218433841 /nfs/dbraw/zinc/43/38/41/218433841.db2.gz VYVWEOAWKOIISE-AWEZNQCLSA-N 1 1 325.412 3.939 50 0 EHAAMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1CCCCC1 ZINC000006871593 210732025 /nfs/dbraw/zinc/73/20/25/210732025.db2.gz ZNCGNWLWLWINBR-UHFFFAOYSA-N 1 1 339.361 3.706 50 0 EHAAMO COc1ccc(C[NH2+]Cc2ccccc2Br)c(OC)c1 ZINC000005006076 210358614 /nfs/dbraw/zinc/35/86/14/210358614.db2.gz DPWGAOXUMCVPGV-UHFFFAOYSA-N 1 1 336.229 3.756 50 0 EHAAMO CCc1oc(C(N)=O)cc1C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426383779 257970155 /nfs/dbraw/zinc/97/01/55/257970155.db2.gz IUWYSGXRDBNOHI-INIZCTEOSA-N 1 1 326.440 3.567 50 0 EHAAMO Cc1nnc([C@H](C)[N@H+](C)CCc2ccc(Br)cc2)s1 ZINC000273182782 257942685 /nfs/dbraw/zinc/94/26/85/257942685.db2.gz JZGWAHRHGWGXKQ-JTQLQIEISA-N 1 1 340.290 3.845 50 0 EHAAMO Cc1nnc([C@H](C)[N@@H+](C)CCc2ccc(Br)cc2)s1 ZINC000273182782 257942686 /nfs/dbraw/zinc/94/26/86/257942686.db2.gz JZGWAHRHGWGXKQ-JTQLQIEISA-N 1 1 340.290 3.845 50 0 EHAAMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C2)cc1OCc1cccc(F)c1 ZINC000215990139 258072177 /nfs/dbraw/zinc/07/21/77/258072177.db2.gz HZSHCBZZJKNKHP-GOSISDBHSA-N 1 1 345.414 3.634 50 0 EHAAMO COc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000299759241 258076676 /nfs/dbraw/zinc/07/66/76/258076676.db2.gz CZXWAFYDZVTQNU-SESVDKBCSA-N 1 1 345.483 3.634 50 0 EHAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC000179835123 519431794 /nfs/dbraw/zinc/43/17/94/519431794.db2.gz BVBBUUWZSRKZTH-UHFFFAOYSA-N 1 1 337.467 3.770 50 0 EHAAMO CCCNc1ncc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)cn1 ZINC000216498341 535205908 /nfs/dbraw/zinc/20/59/08/535205908.db2.gz NJTLAROKJJSCJW-KRWDZBQOSA-N 1 1 326.444 3.644 50 0 EHAAMO CCCNc1ncc(C[N@H+]2CCC[C@H]2c2ccccc2OC)cn1 ZINC000216498341 535205912 /nfs/dbraw/zinc/20/59/12/535205912.db2.gz NJTLAROKJJSCJW-KRWDZBQOSA-N 1 1 326.444 3.644 50 0 EHAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000229963847 536471718 /nfs/dbraw/zinc/47/17/18/536471718.db2.gz SIWHKQFZCQBYBS-XHDPSFHLSA-N 1 1 342.270 3.941 50 0 EHAAMO COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)c1 ZINC000216235389 537064292 /nfs/dbraw/zinc/06/42/92/537064292.db2.gz OYGCOAFITOGQJI-IBGZPJMESA-N 1 1 338.451 3.528 50 0 EHAAMO C[C@@H](c1ccc(NC(=O)c2ccc(Cl)o2)cc1)[NH+]1CCOCC1 ZINC000071882309 563371902 /nfs/dbraw/zinc/37/19/02/563371902.db2.gz UZNPWNQZOPSEMZ-LBPRGKRZSA-N 1 1 334.803 3.579 50 0 EHAAMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002516061 563437087 /nfs/dbraw/zinc/43/70/87/563437087.db2.gz XFTVOHWWEQGXLS-HNNXBMFYSA-N 1 1 332.241 3.775 50 0 investigational EHAAMO CC(=O)Nc1cccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000071907831 563570412 /nfs/dbraw/zinc/57/04/12/563570412.db2.gz ITDXFUYZDCJZJF-OAQYLSRUSA-N 1 1 338.451 3.517 50 0 EHAAMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000071915863 563620030 /nfs/dbraw/zinc/62/00/30/563620030.db2.gz UKGHDXPLLDGSOP-APWZRJJASA-N 1 1 338.455 3.598 50 0 EHAAMO C[C@H]1C[C@@H](C(=O)NCCCCc2ccc(Cl)s2)CC[N@H+]1C ZINC000285667009 563623462 /nfs/dbraw/zinc/62/34/62/563623462.db2.gz KJVQZQAKUBMYMG-STQMWFEESA-N 1 1 328.909 3.571 50 0 EHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)[C@H]1CCOC1 ZINC000012587936 563664351 /nfs/dbraw/zinc/66/43/51/563664351.db2.gz JUXZXKFEFFARSQ-AWEZNQCLSA-N 1 1 340.345 3.890 50 0 EHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)[C@H]1CCOC1 ZINC000012587936 563664355 /nfs/dbraw/zinc/66/43/55/563664355.db2.gz JUXZXKFEFFARSQ-AWEZNQCLSA-N 1 1 340.345 3.890 50 0 EHAAMO COc1ccc(C(C)=O)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851105 563762673 /nfs/dbraw/zinc/76/26/73/563762673.db2.gz ZPVKYDHMGAGSGD-UHFFFAOYSA-N 1 1 337.419 3.893 50 0 EHAAMO COc1ccc(C(C)=O)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851105 563762675 /nfs/dbraw/zinc/76/26/75/563762675.db2.gz ZPVKYDHMGAGSGD-UHFFFAOYSA-N 1 1 337.419 3.893 50 0 EHAAMO CCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000016662936 563819697 /nfs/dbraw/zinc/81/96/97/563819697.db2.gz AVRWSLMJOGXMRA-UHFFFAOYSA-N 1 1 325.456 3.583 50 0 EHAAMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)c1ccccc1 ZINC000016662618 563819722 /nfs/dbraw/zinc/81/97/22/563819722.db2.gz GAFAHCNNRPVCOP-AWEZNQCLSA-N 1 1 326.259 3.676 50 0 EHAAMO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000017066818 563831150 /nfs/dbraw/zinc/83/11/50/563831150.db2.gz WIDAMOTZCXPIRS-UHFFFAOYSA-N 1 1 326.440 3.893 50 0 EHAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)o1 ZINC000030152542 563909489 /nfs/dbraw/zinc/90/94/89/563909489.db2.gz JKALHQJFIIIVAZ-KDOFPFPSSA-N 1 1 349.434 3.576 50 0 EHAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)o1 ZINC000030152542 563909491 /nfs/dbraw/zinc/90/94/91/563909491.db2.gz JKALHQJFIIIVAZ-KDOFPFPSSA-N 1 1 349.434 3.576 50 0 EHAAMO Oc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000071928208 563921054 /nfs/dbraw/zinc/92/10/54/563921054.db2.gz ZMMDBWUSCAYWMN-UHFFFAOYSA-N 1 1 336.357 3.733 50 0 EHAAMO CC[N@@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1ccccc1 ZINC000057395105 563935554 /nfs/dbraw/zinc/93/55/54/563935554.db2.gz KCPKKORJEREDMF-UHFFFAOYSA-N 1 1 335.451 3.507 50 0 EHAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1cc(C)ccc1F ZINC000058343994 563943085 /nfs/dbraw/zinc/94/30/85/563943085.db2.gz YTCYBRMDOBFHGP-UHFFFAOYSA-N 1 1 338.386 3.950 50 0 EHAAMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)[C@@H]1c1cccs1 ZINC000096423089 563951775 /nfs/dbraw/zinc/95/17/75/563951775.db2.gz OLGQEWYLKUJKMS-ZAWACTRJSA-N 1 1 330.453 3.554 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1cc2c(cc1Cl)OCO2)C(C)C ZINC000063832853 563956075 /nfs/dbraw/zinc/95/60/75/563956075.db2.gz VRILUDWSGALRDL-UHFFFAOYSA-N 1 1 349.862 3.830 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1cc2c(cc1Cl)OCO2)C(C)C ZINC000063832853 563956077 /nfs/dbraw/zinc/95/60/77/563956077.db2.gz VRILUDWSGALRDL-UHFFFAOYSA-N 1 1 349.862 3.830 50 0 EHAAMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1OC ZINC000064667023 563956984 /nfs/dbraw/zinc/95/69/84/563956984.db2.gz HNEJVBVOZQIYPG-INIZCTEOSA-N 1 1 330.428 3.981 50 0 EHAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(CC)no2)cc1OC ZINC000064667023 563956985 /nfs/dbraw/zinc/95/69/85/563956985.db2.gz HNEJVBVOZQIYPG-INIZCTEOSA-N 1 1 330.428 3.981 50 0 EHAAMO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1coc2ccccc2c1=O ZINC000065453341 563961032 /nfs/dbraw/zinc/96/10/32/563961032.db2.gz BGKAIIBAXRRYEB-UHFFFAOYSA-N 1 1 345.402 3.611 50 0 EHAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1coc2ccccc2c1=O ZINC000065453341 563961034 /nfs/dbraw/zinc/96/10/34/563961034.db2.gz BGKAIIBAXRRYEB-UHFFFAOYSA-N 1 1 345.402 3.611 50 0 EHAAMO Cc1cccc(C[NH+]2CCC(N[C@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016543 563966718 /nfs/dbraw/zinc/96/67/18/563966718.db2.gz CIKVDICTDNEJSQ-QGZVFWFLSA-N 1 1 338.499 3.717 50 0 EHAAMO COc1ccc([C@H]([NH2+]Cc2nc(C)c(C)o2)C2CCOCC2)cc1 ZINC000097033694 563966904 /nfs/dbraw/zinc/96/69/04/563966904.db2.gz KBJSTIPHUKXGCM-IBGZPJMESA-N 1 1 330.428 3.558 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077341107 563969039 /nfs/dbraw/zinc/96/90/39/563969039.db2.gz JSOOUJXZQFZIOV-QGZVFWFLSA-N 1 1 329.419 3.729 50 0 EHAAMO Cn1ccnc1CC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378093 563969291 /nfs/dbraw/zinc/96/92/91/563969291.db2.gz KFLNSVUSVVVLRZ-LJQANCHMSA-N 1 1 349.482 3.593 50 0 EHAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2ccccc2-n2cccn2)c1 ZINC000077553998 563970316 /nfs/dbraw/zinc/97/03/16/563970316.db2.gz TZZIQUAFNWDOMV-LJQANCHMSA-N 1 1 335.455 3.514 50 0 EHAAMO COCc1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000097231445 563970755 /nfs/dbraw/zinc/97/07/55/563970755.db2.gz HTYUYRRLJDWJRK-UZLBHIALSA-N 1 1 325.456 3.551 50 0 EHAAMO CCC[C@@H]1C[N@@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C[C@H]1NC(C)=O ZINC000082099824 563972273 /nfs/dbraw/zinc/97/22/73/563972273.db2.gz ABARLMPOWYIPNV-AUUYWEPGSA-N 1 1 347.890 3.866 50 0 EHAAMO Cc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1CCc1cccs1 ZINC000082137566 563972640 /nfs/dbraw/zinc/97/26/40/563972640.db2.gz QZHBEULUMNOOTQ-MRXNPFEDSA-N 1 1 331.485 3.657 50 0 EHAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000091289293 563975166 /nfs/dbraw/zinc/97/51/66/563975166.db2.gz BQIYXQYPOUPDGZ-UHFFFAOYSA-N 1 1 326.227 3.579 50 0 EHAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+]([C@@H](C)CCSC)CC3)cc1 ZINC000096139572 563979475 /nfs/dbraw/zinc/97/94/75/563979475.db2.gz SLJVVJOEZJTBRJ-ZDUSSCGKSA-N 1 1 331.485 3.585 50 0 EHAAMO C[C@]1(O)CC[N@@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408524660 563993256 /nfs/dbraw/zinc/99/32/56/563993256.db2.gz XDRMUIFAYDSHSY-XIRDDKMYSA-N 1 1 343.389 3.630 50 0 EHAAMO CC(C)Oc1cccc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000426486554 563995797 /nfs/dbraw/zinc/99/57/97/563995797.db2.gz ZKOXSJNDPSKXMH-NRFANRHFSA-N 1 1 341.451 3.506 50 0 EHAAMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C3CCCC3)[C@H](C)C2)s1 ZINC000252477376 563997668 /nfs/dbraw/zinc/99/76/68/563997668.db2.gz MRTTXROIICQFIL-LBTNJELSSA-N 1 1 349.544 3.604 50 0 EHAAMO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCn3nc(C)nc31)CCCS2 ZINC000188227741 564001928 /nfs/dbraw/zinc/00/19/28/564001928.db2.gz MHKJMHHNZMZYBE-CVEARBPZSA-N 1 1 344.484 3.647 50 0 EHAAMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](C)Cn3ccnc3C)C2)cc1 ZINC000107532799 564027004 /nfs/dbraw/zinc/02/70/04/564027004.db2.gz VKEKHRYWWSAWLS-GPMSIDNRSA-N 1 1 327.472 3.714 50 0 EHAAMO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108145667 564027905 /nfs/dbraw/zinc/02/79/05/564027905.db2.gz IABCQJMIUGTWTH-GUYCJALGSA-N 1 1 349.837 3.538 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1 ZINC000048280114 564030644 /nfs/dbraw/zinc/03/06/44/564030644.db2.gz ZWEDJFGTSHSGJD-LJQANCHMSA-N 1 1 338.455 3.600 50 0 EHAAMO CC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CC[N@H+]1C ZINC000222800344 564037900 /nfs/dbraw/zinc/03/79/00/564037900.db2.gz VIRFFWNPYLAUHF-HNNXBMFYSA-N 1 1 326.415 3.659 50 0 EHAAMO COc1ccc([C@@H]2CCN(c3cc[nH+]cc3Br)C2)cc1 ZINC000225405463 564046464 /nfs/dbraw/zinc/04/64/64/564046464.db2.gz QTDIQKWVEHOFDX-CYBMUJFWSA-N 1 1 333.229 3.847 50 0 EHAAMO O=C(CC[N@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000244796131 564052303 /nfs/dbraw/zinc/05/23/03/564052303.db2.gz RTOBRYDJSDYRDK-UHFFFAOYSA-N 1 1 336.863 3.561 50 0 EHAAMO Cc1cc(C)c(NC(=O)CC[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000244899452 564052314 /nfs/dbraw/zinc/05/23/14/564052314.db2.gz ZKDRHTWFVUOLRY-OAHLLOKOSA-N 1 1 338.879 3.786 50 0 EHAAMO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000075104897 564080036 /nfs/dbraw/zinc/08/00/36/564080036.db2.gz NCCKFHZQGPRXHK-OAHLLOKOSA-N 1 1 344.484 3.687 50 0 EHAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000075104897 564080037 /nfs/dbraw/zinc/08/00/37/564080037.db2.gz NCCKFHZQGPRXHK-OAHLLOKOSA-N 1 1 344.484 3.687 50 0 EHAAMO Brc1ccc2c(c1)c1ccccc1n2C[NH+]1CCOCC1 ZINC000075251596 564081180 /nfs/dbraw/zinc/08/11/80/564081180.db2.gz JITDHQXTIQMTHS-UHFFFAOYSA-N 1 1 345.240 3.847 50 0 EHAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000243932516 564088563 /nfs/dbraw/zinc/08/85/63/564088563.db2.gz BWSBEPRSVTVIBO-LEWJYISDSA-N 1 1 328.500 3.924 50 0 EHAAMO Cc1ccc2nc(C[N@H+](Cc3ccccc3)CC(C)C)cc(=O)n2c1 ZINC000064590857 564092621 /nfs/dbraw/zinc/09/26/21/564092621.db2.gz NBXJXNWAMWPUJH-UHFFFAOYSA-N 1 1 335.451 3.661 50 0 EHAAMO Cc1cc(-c2cccc(C[NH+]3CCOCC3)c2)cc2sc(N)nc21 ZINC000426533628 564094031 /nfs/dbraw/zinc/09/40/31/564094031.db2.gz AESJKZWXHSGNJE-UHFFFAOYSA-N 1 1 339.464 3.516 50 0 EHAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000426612731 564094232 /nfs/dbraw/zinc/09/42/32/564094232.db2.gz XZVIXNNSWZKUPB-HXUWFJFHSA-N 1 1 340.492 3.973 50 0 EHAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2)s1 ZINC000036100926 564096127 /nfs/dbraw/zinc/09/61/27/564096127.db2.gz TWVVKDURZAZQNI-KRWDZBQOSA-N 1 1 333.497 3.954 50 0 EHAAMO CCC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCCC3)n2)cc1 ZINC000064800902 564096339 /nfs/dbraw/zinc/09/63/39/564096339.db2.gz OWTHANJGAUROEI-UHFFFAOYSA-N 1 1 339.443 3.867 50 0 EHAAMO CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000006841419 564099397 /nfs/dbraw/zinc/09/93/97/564099397.db2.gz JTMOONZZZRYQNV-KRWDZBQOSA-N 1 1 342.439 3.635 50 0 EHAAMO COc1ccccc1C[C@@H](C)[NH2+]Cc1noc(-c2cccc(F)c2)n1 ZINC000170088952 564105420 /nfs/dbraw/zinc/10/54/20/564105420.db2.gz RKOWQGQGPALMLH-CYBMUJFWSA-N 1 1 341.386 3.605 50 0 EHAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccco1 ZINC000007250463 564106028 /nfs/dbraw/zinc/10/60/28/564106028.db2.gz SAYJRMUMNBALMS-MRXNPFEDSA-N 1 1 341.455 3.949 50 0 EHAAMO O=c1oc2ccccc2n1CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000065607964 564108259 /nfs/dbraw/zinc/10/82/59/564108259.db2.gz RDTVPBRZIIVNCC-KRWDZBQOSA-N 1 1 338.407 3.527 50 0 EHAAMO Cc1ccc(CN(C(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)C2CC2)o1 ZINC000170626893 564110578 /nfs/dbraw/zinc/11/05/78/564110578.db2.gz JFLGOGLKSFFKNU-NRFANRHFSA-N 1 1 342.483 3.901 50 0 EHAAMO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)c4nc(C)no4)CC3)c2c1 ZINC000071824856 564111302 /nfs/dbraw/zinc/11/13/02/564111302.db2.gz MQOLZLXDEYRCFD-GFCCVEGCSA-N 1 1 340.427 3.809 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249679992 564111670 /nfs/dbraw/zinc/11/16/70/564111670.db2.gz AAZAVONODRBHGA-JJXSEGSLSA-N 1 1 346.437 3.830 50 0 EHAAMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn3c(n1)nc(C)cc3C)CCC2 ZINC000089598901 564112651 /nfs/dbraw/zinc/11/26/51/564112651.db2.gz FPTRKSPZDQJZCA-INIZCTEOSA-N 1 1 341.484 3.620 50 0 EHAAMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn3c(n1)nc(C)cc3C)CCC2 ZINC000089598901 564112652 /nfs/dbraw/zinc/11/26/52/564112652.db2.gz FPTRKSPZDQJZCA-INIZCTEOSA-N 1 1 341.484 3.620 50 0 EHAAMO Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(C[NH+](C)C)cc1 ZINC000007736218 564122463 /nfs/dbraw/zinc/12/24/63/564122463.db2.gz JYHLODMQZBJNPT-UHFFFAOYSA-N 1 1 348.494 3.841 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000078814261 564137256 /nfs/dbraw/zinc/13/72/56/564137256.db2.gz LDURFSSIFHAFNK-KSSFIOAISA-N 1 1 341.430 3.746 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000078814261 564137257 /nfs/dbraw/zinc/13/72/57/564137257.db2.gz LDURFSSIFHAFNK-KSSFIOAISA-N 1 1 341.430 3.746 50 0 EHAAMO C[C@]12CC3CC(C(=O)N[C@@H]4CC[N@H+]5CCC[C@@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000095949520 564142359 /nfs/dbraw/zinc/14/23/59/564142359.db2.gz UDAXJCVJNFABGB-ATAVBESUSA-N 1 1 330.516 3.726 50 0 EHAAMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095954810 564142516 /nfs/dbraw/zinc/14/25/16/564142516.db2.gz DZWFLHIDKSFIKW-LSTHTHJFSA-N 1 1 341.499 3.624 50 0 EHAAMO CC(C)Oc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000095964465 564142893 /nfs/dbraw/zinc/14/28/93/564142893.db2.gz BCKMVPMTDYIQJE-FQEVSTJZSA-N 1 1 338.451 3.603 50 0 EHAAMO CC(C)Oc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000095964465 564142894 /nfs/dbraw/zinc/14/28/94/564142894.db2.gz BCKMVPMTDYIQJE-FQEVSTJZSA-N 1 1 338.451 3.603 50 0 EHAAMO NC(=O)c1csc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000096003281 564144457 /nfs/dbraw/zinc/14/44/57/564144457.db2.gz XREMXMUFLMSSDW-UHFFFAOYSA-N 1 1 337.448 3.618 50 0 EHAAMO COc1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000096407782 564147422 /nfs/dbraw/zinc/14/74/22/564147422.db2.gz VBFDWKSXDRRZQA-INIZCTEOSA-N 1 1 342.443 3.712 50 0 EHAAMO CC[C@@H](CNC(=O)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000029909332 564154716 /nfs/dbraw/zinc/15/47/16/564154716.db2.gz BSKLTSRNCUKWDV-KRWDZBQOSA-N 1 1 344.405 3.532 50 0 EHAAMO C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000003292704 564157104 /nfs/dbraw/zinc/15/71/04/564157104.db2.gz ZZHSRMSYRWWEDN-AWEZNQCLSA-N 1 1 339.464 3.797 50 0 EHAAMO Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1 ZINC000031090815 564158782 /nfs/dbraw/zinc/15/87/82/564158782.db2.gz HCDOOOTYDZBPHW-UHFFFAOYSA-N 1 1 329.469 3.796 50 0 EHAAMO Cc1ccc2ncccc2c1CNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000670447804 564159117 /nfs/dbraw/zinc/15/91/17/564159117.db2.gz YGBYKUMXKRYCHJ-OAHLLOKOSA-N 1 1 336.439 3.741 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCCCc1ccccc1 ZINC000008320557 564164313 /nfs/dbraw/zinc/16/43/13/564164313.db2.gz OLIQUSGBLARNHN-KRWDZBQOSA-N 1 1 328.481 3.634 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)c1nnc2n1CCC2 ZINC000069516083 564170082 /nfs/dbraw/zinc/17/00/82/564170082.db2.gz COSRYCKSIJOMKA-GFCCVEGCSA-N 1 1 342.443 3.943 50 0 EHAAMO CC(C)c1nc2c(n1C)CC[N@@H+](CCCc1nc3ccccc3o1)C2 ZINC000069664962 564171410 /nfs/dbraw/zinc/17/14/10/564171410.db2.gz PKNYPDKWLVGODE-UHFFFAOYSA-N 1 1 338.455 3.676 50 0 EHAAMO Clc1ccc(C[N@H+]2CCCC[C@H]2Cn2cncn2)c2ncccc12 ZINC000069740937 564171902 /nfs/dbraw/zinc/17/19/02/564171902.db2.gz ZMVWBWXRQMTTJU-HNNXBMFYSA-N 1 1 341.846 3.534 50 0 EHAAMO CC(C)[N@H+]1CC2(CCN(C(=O)C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000169791887 1032661585 /nfs/dbraw/zinc/66/15/85/1032661585.db2.gz QRGMWWZWRQQXCO-LJQANCHMSA-N 1 1 326.484 3.861 50 0 EHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000020599911 1018190371 /nfs/dbraw/zinc/19/03/71/1018190371.db2.gz WAFAMLPOHDLYLO-QFIPXVFZSA-N 1 1 339.479 3.555 50 0 EHAAMO CSc1ccc(C(=O)[C@H]2CCCN(Cc3cc(C)[nH]n3)C2)cc1 ZINC000023129243 1028444096 /nfs/dbraw/zinc/44/40/96/1028444096.db2.gz BATWRDDSNHAMED-HNNXBMFYSA-N 1 1 329.469 3.535 50 0 EHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129243 1028444101 /nfs/dbraw/zinc/44/41/01/1028444101.db2.gz BATWRDDSNHAMED-HNNXBMFYSA-N 1 1 329.469 3.535 50 0 EHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129243 1028444109 /nfs/dbraw/zinc/44/41/09/1028444109.db2.gz BATWRDDSNHAMED-HNNXBMFYSA-N 1 1 329.469 3.535 50 0 EHAAMO Fc1cccc(C[N@H+]2CC[C@@H](Cc3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000257195115 1038549641 /nfs/dbraw/zinc/54/96/41/1038549641.db2.gz VKMXPBWBXLJXAQ-INIZCTEOSA-N 1 1 336.414 3.675 50 0 EHAAMO C[NH+](C)Cc1cnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 ZINC000347644353 1038824592 /nfs/dbraw/zinc/82/45/92/1038824592.db2.gz UVBHGOJMIXHEMO-GOSISDBHSA-N 1 1 327.497 3.857 50 0 EHAAMO C[C@@H]([NH2+]Cc1c(Br)c2ccccc2n1C)c1cnn(C)c1 ZINC000873060178 1121560207 /nfs/dbraw/zinc/56/02/07/1121560207.db2.gz DJYWBHUWPOPTRY-LLVKDONJSA-N 1 1 347.260 3.525 50 0 EHAAMO Cc1cc(NCc2cnn(CC(F)F)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000352858523 1123356980 /nfs/dbraw/zinc/35/69/80/1123356980.db2.gz DPIOUZKVTHKHIZ-CQSZACIVSA-N 1 1 349.429 3.843 50 0 EHAAMO C[NH+](C)CCC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175117850 1123598695 /nfs/dbraw/zinc/59/86/95/1123598695.db2.gz POWOKBQLDQFXAW-UHFFFAOYSA-N 1 1 331.435 3.644 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)oc1C ZINC000012197193 1129411287 /nfs/dbraw/zinc/41/12/87/1129411287.db2.gz PGPBBFMUIHRBAE-OAQYLSRUSA-N 1 1 343.467 3.940 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)s1 ZINC000575548787 1131572433 /nfs/dbraw/zinc/57/24/33/1131572433.db2.gz JSBVSEFSENOWHM-KRWDZBQOSA-N 1 1 345.512 3.902 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)CC3CCCCC3)C2)n1C1CC1 ZINC000581805193 1132367045 /nfs/dbraw/zinc/36/70/45/1132367045.db2.gz DEYWOHIGCUGCSQ-KRWDZBQOSA-N 1 1 329.488 3.888 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)NC2CCCCC2)C1 ZINC000581806483 1132368054 /nfs/dbraw/zinc/36/80/54/1132368054.db2.gz QPEPPPMBIWIDNT-MRXNPFEDSA-N 1 1 332.492 3.508 50 0 EHAAMO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1ccnn1C ZINC000192666159 1137456349 /nfs/dbraw/zinc/45/63/49/1137456349.db2.gz JRSVXEMKFNOKGE-CYBMUJFWSA-N 1 1 326.375 3.597 50 0 EHAAMO C[N@@H+](Cc1ccoc1)C1CCN(c2cccc(-c3cc[nH]n3)c2)CC1 ZINC000023398222 1137965232 /nfs/dbraw/zinc/96/52/32/1137965232.db2.gz KOCHOQSYIPDCLD-UHFFFAOYSA-N 1 1 336.439 3.771 50 0 EHAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004744990 210267930 /nfs/dbraw/zinc/26/79/30/210267930.db2.gz NGZGVRZUOVROIX-FQEVSTJZSA-N 1 1 328.500 3.864 50 0 EHAAMO Cc1noc([C@@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)n1 ZINC000052862017 214149959 /nfs/dbraw/zinc/14/99/59/214149959.db2.gz XRKWRKNOANPBLP-CQSZACIVSA-N 1 1 335.835 3.680 50 0 EHAAMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccccc1 ZINC000053399874 214181283 /nfs/dbraw/zinc/18/12/83/214181283.db2.gz PTNXPUSKKYRKLO-CYBMUJFWSA-N 1 1 326.259 3.676 50 0 EHAAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(F)c(OC)c1F ZINC000055183185 214285645 /nfs/dbraw/zinc/28/56/45/214285645.db2.gz RARDTWJPQXVRHQ-AWEZNQCLSA-N 1 1 341.423 3.808 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(F)c(OC)c1F ZINC000055183185 214285646 /nfs/dbraw/zinc/28/56/46/214285646.db2.gz RARDTWJPQXVRHQ-AWEZNQCLSA-N 1 1 341.423 3.808 50 0 EHAAMO COCC[N@@H+](Cc1ccsc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055359604 214311138 /nfs/dbraw/zinc/31/11/38/214311138.db2.gz ZOAFZGJWQQPVRI-UHFFFAOYSA-N 1 1 345.443 3.926 50 0 EHAAMO CCOc1ccc(C(=O)OCC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004028472 210103339 /nfs/dbraw/zinc/10/33/39/210103339.db2.gz LMVFSJKEPVNMKH-VQIMIIECSA-N 1 1 331.456 3.897 50 0 biogenic EHAAMO COc1cccc(-c2noc3c2C[N@@H+](CCCc2cccnc2)CC3)c1 ZINC000067473247 215152086 /nfs/dbraw/zinc/15/20/86/215152086.db2.gz DUAVIXLMAIFJLP-UHFFFAOYSA-N 1 1 349.434 3.736 50 0 EHAAMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000067774933 215210278 /nfs/dbraw/zinc/21/02/78/215210278.db2.gz XPIVWXSNDYHNMR-MRXNPFEDSA-N 1 1 339.483 3.609 50 0 EHAAMO COc1cc(OC)cc([C@H]2c3[nH]cnc3CC[N@@H+]2CC2CCCC2)c1 ZINC000067855735 215233861 /nfs/dbraw/zinc/23/38/61/215233861.db2.gz MDDFPZYZRKSTIO-FQEVSTJZSA-N 1 1 341.455 3.565 50 0 EHAAMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(Cl)c2Cl)C1 ZINC000067894099 215242382 /nfs/dbraw/zinc/24/23/82/215242382.db2.gz MUXJBEZJAYQRPX-CYBMUJFWSA-N 1 1 329.271 3.650 50 0 EHAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c(Cl)c2Cl)C1 ZINC000067894099 215242384 /nfs/dbraw/zinc/24/23/84/215242384.db2.gz MUXJBEZJAYQRPX-CYBMUJFWSA-N 1 1 329.271 3.650 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc2c(c1)OCO2 ZINC000040153564 213274889 /nfs/dbraw/zinc/27/48/89/213274889.db2.gz BKRMIOFXCDNLIO-OAHLLOKOSA-N 1 1 344.436 3.643 50 0 EHAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000040153474 213274811 /nfs/dbraw/zinc/27/48/11/213274811.db2.gz UIGAIEDEDLGRPM-LPHOPBHVSA-N 1 1 331.481 3.771 50 0 EHAAMO CCc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000036398307 213098349 /nfs/dbraw/zinc/09/83/49/213098349.db2.gz WZRCIKTVALGRRY-GFCCVEGCSA-N 1 1 334.510 3.549 50 0 EHAAMO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000036398307 213098347 /nfs/dbraw/zinc/09/83/47/213098347.db2.gz WZRCIKTVALGRRY-GFCCVEGCSA-N 1 1 334.510 3.549 50 0 EHAAMO CC[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000036203761 213076693 /nfs/dbraw/zinc/07/66/93/213076693.db2.gz NBMOAUBTGDNDBX-UHFFFAOYSA-N 1 1 333.844 3.757 50 0 EHAAMO CC[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000036203761 213076697 /nfs/dbraw/zinc/07/66/97/213076697.db2.gz NBMOAUBTGDNDBX-UHFFFAOYSA-N 1 1 333.844 3.757 50 0 EHAAMO CC(C)CC[N@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccco1 ZINC000036030959 213056552 /nfs/dbraw/zinc/05/65/52/213056552.db2.gz GHQSIWXGGSRCFB-GOSISDBHSA-N 1 1 349.446 3.845 50 0 EHAAMO CC[C@@](C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622225 213042625 /nfs/dbraw/zinc/04/26/25/213042625.db2.gz HILHWWJYIYGOII-GOSISDBHSA-N 1 1 341.846 3.731 50 0 EHAAMO Cc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c(F)c1 ZINC000071388770 215767992 /nfs/dbraw/zinc/76/79/92/215767992.db2.gz PZGDOYCRPONSDY-LJQANCHMSA-N 1 1 332.463 3.717 50 0 EHAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1Cl ZINC000189724327 237184847 /nfs/dbraw/zinc/18/48/47/237184847.db2.gz FYFBDJCGJDITRH-ZDUSSCGKSA-N 1 1 334.826 3.785 50 0 EHAAMO CN1C[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)OC1=O ZINC000072422248 216211882 /nfs/dbraw/zinc/21/18/82/216211882.db2.gz QDBDWHKTKAGORD-GOSISDBHSA-N 1 1 346.814 3.627 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000215029220 241103516 /nfs/dbraw/zinc/10/35/16/241103516.db2.gz VMRBTNMEAIZQQU-FQEVSTJZSA-N 1 1 334.423 3.613 50 0 EHAAMO CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1OC(F)(F)F ZINC000216097819 241161961 /nfs/dbraw/zinc/16/19/61/241161961.db2.gz KHQPDUMANVBPDQ-UHFFFAOYSA-N 1 1 341.377 3.958 50 0 EHAAMO CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1OC(F)(F)F ZINC000216097819 241161967 /nfs/dbraw/zinc/16/19/67/241161967.db2.gz KHQPDUMANVBPDQ-UHFFFAOYSA-N 1 1 341.377 3.958 50 0 EHAAMO COc1ccc2[nH]c(C[N@@H+](C)CCc3scnc3C)c(C)c2c1 ZINC000216125032 241166435 /nfs/dbraw/zinc/16/64/35/241166435.db2.gz NESUAKMBMXGRBJ-UHFFFAOYSA-N 1 1 329.469 3.924 50 0 EHAAMO Cc1ccccc1-c1cccc(C[NH+]2CCN(CCCCO)CC2)c1 ZINC000215435093 241125658 /nfs/dbraw/zinc/12/56/58/241125658.db2.gz IDOBUGMHPLURMY-UHFFFAOYSA-N 1 1 338.495 3.552 50 0 EHAAMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc2c1OCO2 ZINC000022022975 212271060 /nfs/dbraw/zinc/27/10/60/212271060.db2.gz HICQBPQOOOAKCS-MRXNPFEDSA-N 1 1 326.396 3.546 50 0 EHAAMO COc1cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc2c1OCO2 ZINC000022022975 212271066 /nfs/dbraw/zinc/27/10/66/212271066.db2.gz HICQBPQOOOAKCS-MRXNPFEDSA-N 1 1 326.396 3.546 50 0 EHAAMO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)c1ccc2ncsc2c1 ZINC000225593591 241942216 /nfs/dbraw/zinc/94/22/16/241942216.db2.gz VSXGKTCWEOXWAS-HNNXBMFYSA-N 1 1 343.477 3.535 50 0 EHAAMO Cc1cc(C)c([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000133159682 223392702 /nfs/dbraw/zinc/39/27/02/223392702.db2.gz BCNBZUKKZNZDKJ-RTBURBONSA-N 1 1 330.516 3.763 50 0 EHAAMO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1C ZINC000133159682 223392704 /nfs/dbraw/zinc/39/27/04/223392704.db2.gz BCNBZUKKZNZDKJ-RTBURBONSA-N 1 1 330.516 3.763 50 0 EHAAMO C/C(=C\c1ccco1)CN[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020914877 212186219 /nfs/dbraw/zinc/18/62/19/212186219.db2.gz TUAVBQPCYPKAGO-KEWOFRHOSA-N 1 1 336.479 3.904 50 0 EHAAMO C/C(=C\c1ccco1)CN[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020914877 212186223 /nfs/dbraw/zinc/18/62/23/212186223.db2.gz TUAVBQPCYPKAGO-KEWOFRHOSA-N 1 1 336.479 3.904 50 0 EHAAMO CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](C)C3 ZINC000020814661 212174113 /nfs/dbraw/zinc/17/41/13/212174113.db2.gz QIQMVKOZVYRNII-UHFFFAOYSA-N 1 1 349.525 3.673 50 0 EHAAMO CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](C)C3 ZINC000020814661 212174117 /nfs/dbraw/zinc/17/41/17/212174117.db2.gz QIQMVKOZVYRNII-UHFFFAOYSA-N 1 1 349.525 3.673 50 0 EHAAMO Fc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020600348 212151620 /nfs/dbraw/zinc/15/16/20/212151620.db2.gz NDYXSDPIKDEORE-GFCCVEGCSA-N 1 1 329.400 3.927 50 0 EHAAMO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020600348 212151621 /nfs/dbraw/zinc/15/16/21/212151621.db2.gz NDYXSDPIKDEORE-GFCCVEGCSA-N 1 1 329.400 3.927 50 0 EHAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630238 244042879 /nfs/dbraw/zinc/04/28/79/244042879.db2.gz PGOVWNRZGZGMPF-MAUKXSAKSA-N 1 1 333.439 3.807 50 0 EHAAMO OCC1CCN([C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000019792850 212068089 /nfs/dbraw/zinc/06/80/89/212068089.db2.gz PIXGWHSTYZZFJR-SFHVURJKSA-N 1 1 344.524 3.570 50 0 EHAAMO OCC1CC[NH+]([C@H]2CCCN(Cc3cc4ccccc4s3)C2)CC1 ZINC000019792850 212068092 /nfs/dbraw/zinc/06/80/92/212068092.db2.gz PIXGWHSTYZZFJR-SFHVURJKSA-N 1 1 344.524 3.570 50 0 EHAAMO Cc1ccccc1-c1cc(C(=O)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000019759996 212062537 /nfs/dbraw/zinc/06/25/37/212062537.db2.gz XYQVLHUZKQRBQG-UHFFFAOYSA-N 1 1 345.446 3.598 50 0 EHAAMO COc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1O ZINC000080294462 217295640 /nfs/dbraw/zinc/29/56/40/217295640.db2.gz UZDWIZBSPIHWJM-SFHVURJKSA-N 1 1 325.412 3.764 50 0 EHAAMO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1Br ZINC000089947909 217893132 /nfs/dbraw/zinc/89/31/32/217893132.db2.gz MACVOUSBUJHXSF-MRXNPFEDSA-N 1 1 347.256 3.789 50 0 EHAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](C1CCCCC1)C2 ZINC000012315567 211344692 /nfs/dbraw/zinc/34/46/92/211344692.db2.gz FMFXJEPWMCGTQY-OAQYLSRUSA-N 1 1 344.474 3.973 50 0 EHAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000012300853 211337490 /nfs/dbraw/zinc/33/74/90/211337490.db2.gz SIPLNEDCLKKOIF-SFHVURJKSA-N 1 1 347.462 3.605 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)cc1O ZINC000012197631 211317246 /nfs/dbraw/zinc/31/72/46/211317246.db2.gz CONJAXNQFKZCBF-KRWDZBQOSA-N 1 1 330.403 3.616 50 0 EHAAMO COc1ccccc1[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ccccc2O1 ZINC000012126865 211299964 /nfs/dbraw/zinc/29/99/64/211299964.db2.gz SNJSAQBTDULAFM-OAQYLSRUSA-N 1 1 349.434 3.565 50 0 EHAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ccccc2O1 ZINC000012126865 211299967 /nfs/dbraw/zinc/29/99/67/211299967.db2.gz SNJSAQBTDULAFM-OAQYLSRUSA-N 1 1 349.434 3.565 50 0 EHAAMO Cc1ccccc1[C@@H](CC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000012072825 211285902 /nfs/dbraw/zinc/28/59/02/211285902.db2.gz RFYJXEFTNXLIAV-NRFANRHFSA-N 1 1 336.479 3.681 50 0 EHAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2[nH]c3c(cccc3Cl)c2C)C1 ZINC000091487110 218013429 /nfs/dbraw/zinc/01/34/29/218013429.db2.gz HXOFUJKNBWXRDB-LSDHHAIUSA-N 1 1 345.874 3.572 50 0 EHAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2[nH]c3c(cccc3Cl)c2C)C1 ZINC000091487110 218013432 /nfs/dbraw/zinc/01/34/32/218013432.db2.gz HXOFUJKNBWXRDB-LSDHHAIUSA-N 1 1 345.874 3.572 50 0 EHAAMO COCC[N@@H+](Cc1nc(-c2ccc(OC)cc2F)oc1C)C(C)C ZINC000011878872 211262690 /nfs/dbraw/zinc/26/26/90/211262690.db2.gz ULNGHJVKPCFZKW-UHFFFAOYSA-N 1 1 336.407 3.655 50 0 EHAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc4occc4c3)C2)N1CC1CCC1 ZINC000091526685 218017758 /nfs/dbraw/zinc/01/77/58/218017758.db2.gz MRWBVKRNRJEZGQ-RBUKOAKNSA-N 1 1 338.451 3.656 50 0 EHAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)C2=CCCC2)C1 ZINC000011843088 211256604 /nfs/dbraw/zinc/25/66/04/211256604.db2.gz PGKNGKMJJUPXEU-IBGZPJMESA-N 1 1 326.484 3.510 50 0 EHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](CC2CC2)C1 ZINC000011770393 211246665 /nfs/dbraw/zinc/24/66/65/211246665.db2.gz VJLFNOJENDORHC-HXUWFJFHSA-N 1 1 331.456 3.511 50 0 EHAAMO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000092062270 218111512 /nfs/dbraw/zinc/11/15/12/218111512.db2.gz PZJDPYOLYXQHRQ-OXJNMPFZSA-N 1 1 341.524 3.802 50 0 EHAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000009419451 211081856 /nfs/dbraw/zinc/08/18/56/211081856.db2.gz MHIFZBAQYMXSFS-UHFFFAOYSA-N 1 1 333.395 3.697 50 0 EHAAMO C[NH+](C)[C@@H](C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000095375460 218308028 /nfs/dbraw/zinc/30/80/28/218308028.db2.gz LFBIHDZQYZCTGO-MRXNPFEDSA-N 1 1 338.785 3.537 50 0 EHAAMO Cc1cccc(CSCCCNC(=O)[C@H]2CCCCC[N@@H+]2C)c1 ZINC000095383200 218315818 /nfs/dbraw/zinc/31/58/18/218315818.db2.gz GYXFMXXBGUFCGS-GOSISDBHSA-N 1 1 334.529 3.609 50 0 EHAAMO CCCCCCOc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000095430359 218372647 /nfs/dbraw/zinc/37/26/47/218372647.db2.gz LXLKKKWMGJIPJP-UHFFFAOYSA-N 1 1 348.531 3.534 50 0 EHAAMO CCCCCCOc1cccc(CN(CCO)C2CC[NH+](C)CC2)c1 ZINC000095430359 218372650 /nfs/dbraw/zinc/37/26/50/218372650.db2.gz LXLKKKWMGJIPJP-UHFFFAOYSA-N 1 1 348.531 3.534 50 0 EHAAMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000095432361 218375230 /nfs/dbraw/zinc/37/52/30/218375230.db2.gz RHAAAVBYCSUNAV-CYBMUJFWSA-N 1 1 341.402 3.979 50 0 EHAAMO CC[N@@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C(C)(C)CO ZINC000095446718 218390580 /nfs/dbraw/zinc/39/05/80/218390580.db2.gz LCYCOJHGRBZMQD-UHFFFAOYSA-N 1 1 337.407 3.900 50 0 EHAAMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000005041972 210373609 /nfs/dbraw/zinc/37/36/09/210373609.db2.gz CIWPEZNIMFAPGM-UHFFFAOYSA-N 1 1 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Cc1cc(C)cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000072292835 216128179 /nfs/dbraw/zinc/12/81/79/216128179.db2.gz CNVFHMTVUSVILD-FQEVSTJZSA-N 1 1 338.451 3.533 50 0 EHAAMO Cc1cc(Cl)cc2c(N3CCC[C@]4(CN(C)C(=O)O4)C3)cc[nH+]c12 ZINC000072479625 216258578 /nfs/dbraw/zinc/25/85/78/216258578.db2.gz SFFTTWTXZCAPND-SFHVURJKSA-N 1 1 345.830 3.618 50 0 EHAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)no1 ZINC000215152196 241108491 /nfs/dbraw/zinc/10/84/91/241108491.db2.gz RNIHQYALMDMFNM-CYBMUJFWSA-N 1 1 328.391 3.686 50 0 EHAAMO COc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000215834456 241150276 /nfs/dbraw/zinc/15/02/76/241150276.db2.gz JEOFQJIQXBGPAO-KRWDZBQOSA-N 1 1 346.858 3.925 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000215834456 241150280 /nfs/dbraw/zinc/15/02/80/241150280.db2.gz JEOFQJIQXBGPAO-KRWDZBQOSA-N 1 1 346.858 3.925 50 0 EHAAMO COc1cccc([C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)c1OC ZINC000216024126 241159070 /nfs/dbraw/zinc/15/90/70/241159070.db2.gz HQFMQHHOFNXAFS-ZDUSSCGKSA-N 1 1 332.831 3.742 50 0 EHAAMO OCCOc1ccccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000215465713 241124569 /nfs/dbraw/zinc/12/45/69/241124569.db2.gz VAWCYMZHCXGBBU-INIZCTEOSA-N 1 1 331.843 3.701 50 0 EHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000021794024 212250890 /nfs/dbraw/zinc/25/08/90/212250890.db2.gz PAOMFEUHYCMXLD-UHFFFAOYSA-N 1 1 327.432 3.579 50 0 EHAAMO Cc1nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)cc(N(C)C)[nH+]1 ZINC000021794024 212250892 /nfs/dbraw/zinc/25/08/92/212250892.db2.gz PAOMFEUHYCMXLD-UHFFFAOYSA-N 1 1 327.432 3.579 50 0 EHAAMO OCC[C@H]1CN(Cc2cccc3ccccc32)CC[N@H+]1C1CCCC1 ZINC000020913180 212185982 /nfs/dbraw/zinc/18/59/82/212185982.db2.gz BQSBDVCJPUOWTR-NRFANRHFSA-N 1 1 338.495 3.651 50 0 EHAAMO CSc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000241776858 243000893 /nfs/dbraw/zinc/00/08/93/243000893.db2.gz RTEFOPISLSIBHI-GDBMZVCRSA-N 1 1 333.501 3.665 50 0 EHAAMO Cc1cc(C)c(NC(=O)CC[N@@H+](C)CCCn2cccn2)c(Cl)c1 ZINC000244764156 243075776 /nfs/dbraw/zinc/07/57/76/243075776.db2.gz PCGZVHMPYQDCKT-UHFFFAOYSA-N 1 1 348.878 3.504 50 0 EHAAMO Cc1ccc(NC(=O)CCN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1Cl ZINC000244773819 243079002 /nfs/dbraw/zinc/07/90/02/243079002.db2.gz PHDUPOSYXJKHQV-OAHLLOKOSA-N 1 1 349.906 3.536 50 0 EHAAMO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccccc1 ZINC000020828038 212175436 /nfs/dbraw/zinc/17/54/36/212175436.db2.gz JBLBJLSLNPIWIC-OAQYLSRUSA-N 1 1 343.430 3.704 50 0 EHAAMO C[N@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000020600303 212150699 /nfs/dbraw/zinc/15/06/99/212150699.db2.gz MUIJKODWXRGERT-UHFFFAOYSA-N 1 1 341.842 3.988 50 0 EHAAMO C[N@@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000020600303 212150702 /nfs/dbraw/zinc/15/07/02/212150702.db2.gz MUIJKODWXRGERT-UHFFFAOYSA-N 1 1 341.842 3.988 50 0 EHAAMO Cc1ccc(SCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020500150 212140793 /nfs/dbraw/zinc/14/07/93/212140793.db2.gz AICDQXIWWSLIDU-UHFFFAOYSA-N 1 1 326.509 3.905 50 0 EHAAMO CCN(CC)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100602 212100079 /nfs/dbraw/zinc/10/00/79/212100079.db2.gz CZWLVYVDZRZFTF-UHFFFAOYSA-N 1 1 326.843 3.560 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000079095952 217191927 /nfs/dbraw/zinc/19/19/27/217191927.db2.gz FVADIVSBSNZMMQ-HXUWFJFHSA-N 1 1 325.456 3.552 50 0 EHAAMO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2s1 ZINC000079191797 217200978 /nfs/dbraw/zinc/20/09/78/217200978.db2.gz HFCONKRIHKRQBF-DOTOQJQBSA-N 1 1 343.496 3.599 50 0 biogenic EHAAMO CCc1ccc(C[N@H+]2CCC[C@](CO)(Cc3cccc(OC)c3)C2)o1 ZINC000012440487 211383225 /nfs/dbraw/zinc/38/32/25/211383225.db2.gz DLDVWXNHJYCVIT-NRFANRHFSA-N 1 1 343.467 3.668 50 0 EHAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012385743 211364295 /nfs/dbraw/zinc/36/42/95/211364295.db2.gz QTMXVBACQSNESX-AWEZNQCLSA-N 1 1 343.448 3.880 50 0 EHAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000012385743 211364300 /nfs/dbraw/zinc/36/43/00/211364300.db2.gz QTMXVBACQSNESX-AWEZNQCLSA-N 1 1 343.448 3.880 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012373461 211358935 /nfs/dbraw/zinc/35/89/35/211358935.db2.gz WNIGYJOTATUTJH-OAQYLSRUSA-N 1 1 343.442 3.652 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012298419 211337868 /nfs/dbraw/zinc/33/78/68/211337868.db2.gz XQTYSIPQLKEUKK-NRFANRHFSA-N 1 1 327.443 3.951 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@@H](CCc3ccc(OC)cc3)C2)cn1 ZINC000011840467 211254502 /nfs/dbraw/zinc/25/45/02/211254502.db2.gz CCRUTBGJVLNWPA-SFHVURJKSA-N 1 1 327.472 3.756 50 0 EHAAMO CN(C(=O)c1ccsc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011838310 211253944 /nfs/dbraw/zinc/25/39/44/211253944.db2.gz AKSOMMXJJMZYOK-GOSISDBHSA-N 1 1 328.481 3.527 50 0 EHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1CC1CC1 ZINC000011820594 211252722 /nfs/dbraw/zinc/25/27/22/211252722.db2.gz CESJQVQRNHMGJT-GOSISDBHSA-N 1 1 337.423 3.687 50 0 EHAAMO CCNc1cc[nH+]c(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1 ZINC000091818042 218070832 /nfs/dbraw/zinc/07/08/32/218070832.db2.gz BXKWAAFGZJOKKE-QGZVFWFLSA-N 1 1 346.438 3.855 50 0 EHAAMO CSc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 ZINC000092045581 218109465 /nfs/dbraw/zinc/10/94/65/218109465.db2.gz BZNLUVKRRQWYCU-SJLPKXTDSA-N 1 1 344.524 3.631 50 0 EHAAMO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000092078071 218115968 /nfs/dbraw/zinc/11/59/68/218115968.db2.gz IIPRHJNFNRYKQV-NRFANRHFSA-N 1 1 344.474 3.973 50 0 EHAAMO O=C(c1ccccc1F)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095372165 218305677 /nfs/dbraw/zinc/30/56/77/218305677.db2.gz TTWCVXSYXOKWQJ-ZWKOTPCHSA-N 1 1 338.426 3.562 50 0 EHAAMO C[C@@H](O)c1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192500633 257952055 /nfs/dbraw/zinc/95/20/55/257952055.db2.gz VKERWSMACFBEKU-LLVKDONJSA-N 1 1 338.220 3.931 50 0 EHAAMO Cc1noc([C@H](N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005399 226206015 /nfs/dbraw/zinc/20/60/15/226206015.db2.gz BDXDAQLGZZDSMX-SCLBCKFNSA-N 1 1 339.443 3.920 50 0 EHAAMO CCOc1c(Br)cc(C[NH2+]Cc2ccco2)cc1OC ZINC000004841072 520591714 /nfs/dbraw/zinc/59/17/14/520591714.db2.gz XIMNCGVZRKMHOP-UHFFFAOYSA-N 1 1 340.217 3.739 50 0 EHAAMO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1nc2ccccc2s1 ZINC000028888643 522681140 /nfs/dbraw/zinc/68/11/40/522681140.db2.gz UHCJMBTYBQEBCL-UHFFFAOYSA-N 1 1 343.427 3.896 50 0 EHAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1nc2ccccc2s1 ZINC000028888643 522681150 /nfs/dbraw/zinc/68/11/50/522681150.db2.gz UHCJMBTYBQEBCL-UHFFFAOYSA-N 1 1 343.427 3.896 50 0 EHAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2CCC(=O)NCc2cccs2)no1 ZINC000244708022 535370139 /nfs/dbraw/zinc/37/01/39/535370139.db2.gz KMCHQOMJGIRHKX-INIZCTEOSA-N 1 1 347.484 3.703 50 0 EHAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2CCC(=O)NCc2cccs2)no1 ZINC000244708022 535370140 /nfs/dbraw/zinc/37/01/40/535370140.db2.gz KMCHQOMJGIRHKX-INIZCTEOSA-N 1 1 347.484 3.703 50 0 EHAAMO CC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000002040859 563419002 /nfs/dbraw/zinc/41/90/02/563419002.db2.gz TUNMGCULOKMBNJ-CDXJDZJCSA-N 1 1 347.499 3.810 50 0 EHAAMO COc1ccc(C[NH+]2CCSCC2)cc1OCc1ccccc1 ZINC000002893756 563462382 /nfs/dbraw/zinc/46/23/82/563462382.db2.gz MPIKQPLKHCSTDV-UHFFFAOYSA-N 1 1 329.465 3.823 50 0 EHAAMO C[C@H](c1ccncc1)[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000071896982 563492825 /nfs/dbraw/zinc/49/28/25/563492825.db2.gz LHDYZBCFRJPRMS-OAHLLOKOSA-N 1 1 343.858 3.644 50 0 EHAAMO C[C@H](c1ccncc1)[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000071896982 563492826 /nfs/dbraw/zinc/49/28/26/563492826.db2.gz LHDYZBCFRJPRMS-OAHLLOKOSA-N 1 1 343.858 3.644 50 0 EHAAMO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC000071904298 563558990 /nfs/dbraw/zinc/55/89/90/563558990.db2.gz BUJZRFDWIUOXMZ-OAHLLOKOSA-N 1 1 349.438 3.769 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 ZINC000012759329 563670101 /nfs/dbraw/zinc/67/01/01/563670101.db2.gz CAGJMSPGJVCJNG-MRXNPFEDSA-N 1 1 345.874 3.960 50 0 EHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)cc1OC ZINC000012835418 563675628 /nfs/dbraw/zinc/67/56/28/563675628.db2.gz ZFLAMQGPICWGPP-INIZCTEOSA-N 1 1 343.423 3.700 50 0 EHAAMO OCC[C@H]([NH2+]Cc1ccsc1)c1ccccc1Br ZINC000359000260 563722542 /nfs/dbraw/zinc/72/25/42/563722542.db2.gz ZBBYFYXZDIOHGY-AWEZNQCLSA-N 1 1 326.259 3.724 50 0 EHAAMO C[NH+]1CCN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CC1 ZINC000032845205 563761515 /nfs/dbraw/zinc/76/15/15/563761515.db2.gz RQMGLSQHOGCZFH-UHFFFAOYSA-N 1 1 327.375 3.581 50 0 EHAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000015079210 563776883 /nfs/dbraw/zinc/77/68/83/563776883.db2.gz NVSQWJKQBCSVJD-OAHLLOKOSA-N 1 1 345.874 3.785 50 0 EHAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c(OC)c1OC ZINC000015866889 563797900 /nfs/dbraw/zinc/79/79/00/563797900.db2.gz WOIWJGLZHLXGDC-OAHLLOKOSA-N 1 1 346.427 3.654 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)c(OC)c1OC ZINC000015866889 563797901 /nfs/dbraw/zinc/79/79/01/563797901.db2.gz WOIWJGLZHLXGDC-OAHLLOKOSA-N 1 1 346.427 3.654 50 0 EHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000016420867 563811036 /nfs/dbraw/zinc/81/10/36/563811036.db2.gz OGYBNEDUCKDRQI-OAHLLOKOSA-N 1 1 328.481 3.634 50 0 EHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000016420867 563811039 /nfs/dbraw/zinc/81/10/39/563811039.db2.gz OGYBNEDUCKDRQI-OAHLLOKOSA-N 1 1 328.481 3.634 50 0 EHAAMO CSc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029489191 563906723 /nfs/dbraw/zinc/90/67/23/563906723.db2.gz RJMSCKGHVHQFLX-SFHVURJKSA-N 1 1 326.465 3.966 50 0 EHAAMO Cc1ccsc1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000029670777 563907810 /nfs/dbraw/zinc/90/78/10/563907810.db2.gz NNYSDARZXGNDTE-UHFFFAOYSA-N 1 1 325.437 3.540 50 0 EHAAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000030003427 563909209 /nfs/dbraw/zinc/90/92/09/563909209.db2.gz OBKJSSJDNVHEMW-NRFANRHFSA-N 1 1 347.462 3.769 50 0 EHAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000013511248 563926621 /nfs/dbraw/zinc/92/66/21/563926621.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 1 1 334.504 3.645 50 0 EHAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000013511248 563926622 /nfs/dbraw/zinc/92/66/22/563926622.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 1 1 334.504 3.645 50 0 EHAAMO CC(C)(C)[C@@H]([NH2+]Cn1ncc2ccccc2c1=O)c1cccs1 ZINC000057991378 563936155 /nfs/dbraw/zinc/93/61/55/563936155.db2.gz AUMHURNEMQUDTR-INIZCTEOSA-N 1 1 327.453 3.793 50 0 EHAAMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1 ZINC000058331203 563942774 /nfs/dbraw/zinc/94/27/74/563942774.db2.gz FPPZMNIZGWTERP-UHFFFAOYSA-N 1 1 349.434 3.505 50 0 EHAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000058370743 563944083 /nfs/dbraw/zinc/94/40/83/563944083.db2.gz WHMYPPHHQCUUCL-JKSUJKDBSA-N 1 1 334.504 3.598 50 0 EHAAMO CO[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000058433063 563946375 /nfs/dbraw/zinc/94/63/75/563946375.db2.gz FQJMHKFHCIENGU-GOSISDBHSA-N 1 1 339.370 3.646 50 0 EHAAMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389565 563948851 /nfs/dbraw/zinc/94/88/51/563948851.db2.gz NSUGHNMHEIMMGR-CQSZACIVSA-N 1 1 328.843 3.922 50 0 EHAAMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389565 563948852 /nfs/dbraw/zinc/94/88/52/563948852.db2.gz NSUGHNMHEIMMGR-CQSZACIVSA-N 1 1 328.843 3.922 50 0 EHAAMO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000065372472 563958600 /nfs/dbraw/zinc/95/86/00/563958600.db2.gz JOTYGJBDHKIHIF-ABDJAZHISA-N 1 1 336.395 3.965 50 0 EHAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000065372472 563958601 /nfs/dbraw/zinc/95/86/01/563958601.db2.gz JOTYGJBDHKIHIF-ABDJAZHISA-N 1 1 336.395 3.965 50 0 EHAAMO Cc1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043722709 563963614 /nfs/dbraw/zinc/96/36/14/563963614.db2.gz DIIQIOUPVIEQBD-UXLLHSPISA-N 1 1 335.492 3.706 50 0 EHAAMO CC(C)=CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000071315705 563964184 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C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000097033197 563971232 /nfs/dbraw/zinc/97/12/32/563971232.db2.gz AUWJDWBAAADEOZ-CYBMUJFWSA-N 1 1 329.831 3.713 50 0 EHAAMO Cc1[nH+]ccn1[C@@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F ZINC000096161310 563979827 /nfs/dbraw/zinc/97/98/27/563979827.db2.gz HKINDSOYZMJYQL-NSHDSACASA-N 1 1 341.381 3.807 50 0 EHAAMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(Cl)cn1 ZINC000119594170 563983105 /nfs/dbraw/zinc/98/31/05/563983105.db2.gz LREFRMZFTNMTTE-UHFFFAOYSA-N 1 1 347.871 3.536 50 0 EHAAMO C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000071862825 563983317 /nfs/dbraw/zinc/98/33/17/563983317.db2.gz BXAPMMBLTSEBIK-NSHDSACASA-N 1 1 336.233 3.874 50 0 EHAAMO c1cc2c(c(CNCc3ccc(C[NH+]4CCCCC4)cc3)c1)OCO2 ZINC000060961568 563992168 /nfs/dbraw/zinc/99/21/68/563992168.db2.gz RQLCCRCHRIVNQK-UHFFFAOYSA-N 1 1 338.451 3.691 50 0 EHAAMO Cc1ccc([C@@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C(C)(C)C)o1 ZINC000110616179 564025784 /nfs/dbraw/zinc/02/57/84/564025784.db2.gz 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Cc1ccc(C[N@@H+](CC(=O)N(C)Cc2ccsc2)C2CC2)cc1 ZINC000045783809 564028671 /nfs/dbraw/zinc/02/86/71/564028671.db2.gz CCTVVOQWWAYXDS-UHFFFAOYSA-N 1 1 328.481 3.680 50 0 EHAAMO Cc1ccc(C[N@H+](CC(=O)N(C)Cc2ccsc2)C2CC2)cc1 ZINC000045783809 564028672 /nfs/dbraw/zinc/02/86/72/564028672.db2.gz CCTVVOQWWAYXDS-UHFFFAOYSA-N 1 1 328.481 3.680 50 0 EHAAMO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048354669 564031341 /nfs/dbraw/zinc/03/13/41/564031341.db2.gz SZHYDZNPBGKIPL-OLZOCXBDSA-N 1 1 326.400 3.714 50 0 EHAAMO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048354669 564031342 /nfs/dbraw/zinc/03/13/42/564031342.db2.gz SZHYDZNPBGKIPL-OLZOCXBDSA-N 1 1 326.400 3.714 50 0 EHAAMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000081647700 564035975 /nfs/dbraw/zinc/03/59/75/564035975.db2.gz QEKIIIXUSZKACX-SFHVURJKSA-N 1 1 345.393 3.713 50 0 EHAAMO CC(C)c1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1 ZINC000222149517 564036766 /nfs/dbraw/zinc/03/67/66/564036766.db2.gz GQITWLMVAXWLTC-JZXOWHBKSA-N 1 1 344.499 3.993 50 0 EHAAMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000225668314 564049236 /nfs/dbraw/zinc/04/92/36/564049236.db2.gz GVMGBYIZLTYKPN-PXNSSMCTSA-N 1 1 340.467 3.644 50 0 EHAAMO O=C1CC[N@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1Cl ZINC000014987153 564050924 /nfs/dbraw/zinc/05/09/24/564050924.db2.gz ZYKWRMYMQNBVKK-INIZCTEOSA-N 1 1 332.875 3.731 50 0 EHAAMO CC(C)n1ncc2cc(CNc3[nH+]c4cc(F)ccc4n3C)cnc21 ZINC000184255198 564061702 /nfs/dbraw/zinc/06/17/02/564061702.db2.gz VERIWZSEESJQID-UHFFFAOYSA-N 1 1 338.390 3.650 50 0 EHAAMO O=C(Nc1ccc(F)cc1)C1=CC[N@H+](Cc2ccccc2F)CC1 ZINC000015861015 564076935 /nfs/dbraw/zinc/07/69/35/564076935.db2.gz XVAIPYVEVUGPPL-UHFFFAOYSA-N 1 1 328.362 3.736 50 0 EHAAMO O=C(Nc1ccc(F)cc1)C1=CC[N@@H+](Cc2ccccc2F)CC1 ZINC000015861015 564076936 /nfs/dbraw/zinc/07/69/36/564076936.db2.gz XVAIPYVEVUGPPL-UHFFFAOYSA-N 1 1 328.362 3.736 50 0 EHAAMO Cc1ccc2c(C[N@@H+](C)CCOc3ccc(F)cc3)cc(=O)oc2c1 ZINC000012911494 564077998 /nfs/dbraw/zinc/07/79/98/564077998.db2.gz PWLBBUFKWMXAMX-UHFFFAOYSA-N 1 1 341.382 3.751 50 0 EHAAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)o1 ZINC000006234264 564083136 /nfs/dbraw/zinc/08/31/36/564083136.db2.gz COKZNJWOQRBEME-OAHLLOKOSA-N 1 1 331.441 3.845 50 0 EHAAMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000221818178 564084265 /nfs/dbraw/zinc/08/42/65/564084265.db2.gz SJPPVDJSRIFZNX-LSDHHAIUSA-N 1 1 337.427 3.709 50 0 EHAAMO C[N@H+]1CC[C@@H](CNC(=O)C2=CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123758621 564086845 /nfs/dbraw/zinc/08/68/45/564086845.db2.gz FEUXQEVDVYPQJI-YOEHRIQHSA-N 1 1 336.838 3.698 50 0 EHAAMO O=c1nc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)[nH]c2sc3c(c21)CCC3 ZINC000239306241 564088057 /nfs/dbraw/zinc/08/80/57/564088057.db2.gz GPLZVKOZVPLPKI-OLZOCXBDSA-N 1 1 343.496 3.898 50 0 EHAAMO O=c1nc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)[nH]c2sc3c(c21)CCC3 ZINC000239306241 564088058 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Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)s1 ZINC000065286797 564104451 /nfs/dbraw/zinc/10/44/51/564104451.db2.gz YSYRXNWLGRERQU-OAHLLOKOSA-N 1 1 339.468 3.616 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)s1 ZINC000065286797 564104452 /nfs/dbraw/zinc/10/44/52/564104452.db2.gz YSYRXNWLGRERQU-OAHLLOKOSA-N 1 1 339.468 3.616 50 0 EHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2COC)c1 ZINC000065497586 564106560 /nfs/dbraw/zinc/10/65/60/564106560.db2.gz PJGVDNRABBCAIW-UHFFFAOYSA-N 1 1 341.455 3.606 50 0 EHAAMO CNC(=O)CCC[N@@H+](C)Cc1c(Cl)cccc1SC(C)C ZINC000170616054 564110081 /nfs/dbraw/zinc/11/00/81/564110081.db2.gz SPPGLXOHKWLVNM-UHFFFAOYSA-N 1 1 328.909 3.799 50 0 EHAAMO C[C@H]1SCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1C ZINC000170631140 564110628 /nfs/dbraw/zinc/11/06/28/564110628.db2.gz ILRITJSVRUFPDA-HUUCEWRRSA-N 1 1 327.497 3.687 50 0 EHAAMO C[C@H]1SCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1C ZINC000170631140 564110629 /nfs/dbraw/zinc/11/06/29/564110629.db2.gz 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/nfs/dbraw/zinc/12/18/09/564121809.db2.gz ZTRCZHMJNVMWGF-UHFFFAOYSA-N 1 1 325.250 3.594 50 0 EHAAMO CC(C)=CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007680456 564121810 /nfs/dbraw/zinc/12/18/10/564121810.db2.gz ZTRCZHMJNVMWGF-UHFFFAOYSA-N 1 1 325.250 3.594 50 0 EHAAMO O[C@H](C[NH2+][C@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049652 564122754 /nfs/dbraw/zinc/12/27/54/564122754.db2.gz SYBFBLHORBUWHD-NOZJJQNGSA-N 1 1 339.873 3.599 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cccc(N2CCCC2)c1 ZINC000253369537 564130287 /nfs/dbraw/zinc/13/02/87/564130287.db2.gz DUYUSHANEKUVHP-DUXKGJEZSA-N 1 1 343.515 3.588 50 0 EHAAMO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000253404932 564130631 /nfs/dbraw/zinc/13/06/31/564130631.db2.gz GCWDLELVKWRCRG-BBRMVZONSA-N 1 1 336.476 3.743 50 0 EHAAMO C[N@@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499787 564132735 /nfs/dbraw/zinc/13/27/35/564132735.db2.gz NINCEUANGIAEBE-OLJMEDMQSA-N 1 1 349.559 3.683 50 0 biogenic EHAAMO Fc1ccc2c(C3=CC[N@@H+](Cc4cnc5cnccn45)CC3)c[nH]c2c1 ZINC000096489996 564148728 /nfs/dbraw/zinc/14/87/28/564148728.db2.gz ZJJOMUVCICFYKR-UHFFFAOYSA-N 1 1 347.397 3.639 50 0 EHAAMO Fc1ccc(-c2nc(C[NH+]3CCC(c4cn[nH]c4)CC3)co2)cc1 ZINC000097202672 564149552 /nfs/dbraw/zinc/14/95/52/564149552.db2.gz SUIBQGFEUPRGRN-UHFFFAOYSA-N 1 1 326.375 3.583 50 0 EHAAMO O=C(CCCc1ccccc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686287 564150259 /nfs/dbraw/zinc/15/02/59/564150259.db2.gz UDQOVPYGOCDIGC-JOCHJYFZSA-N 1 1 348.490 3.669 50 0 EHAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000670449444 564159310 /nfs/dbraw/zinc/15/93/10/564159310.db2.gz NZVLZIHIZLVDCF-HNNXBMFYSA-N 1 1 346.833 3.698 50 0 EHAAMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000008377811 564164775 /nfs/dbraw/zinc/16/47/75/564164775.db2.gz GWYSIRUQQRUVSX-GOSISDBHSA-N 1 1 334.463 3.789 50 0 EHAAMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000008377811 564164776 /nfs/dbraw/zinc/16/47/76/564164776.db2.gz GWYSIRUQQRUVSX-GOSISDBHSA-N 1 1 334.463 3.789 50 0 EHAAMO Fc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000008470549 564165371 /nfs/dbraw/zinc/16/53/71/564165371.db2.gz XGRPFJPQIFGRFP-UHFFFAOYSA-N 1 1 325.383 3.982 50 0 EHAAMO Fc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000008470549 564165372 /nfs/dbraw/zinc/16/53/72/564165372.db2.gz XGRPFJPQIFGRFP-UHFFFAOYSA-N 1 1 325.383 3.982 50 0 EHAAMO C[N@H+](CCc1ccccn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000008721220 564166952 /nfs/dbraw/zinc/16/69/52/564166952.db2.gz JTUJRPLHGSMGDM-UHFFFAOYSA-N 1 1 338.238 3.501 50 0 EHAAMO C[N@@H+](CCc1ccccn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000008721220 564166953 /nfs/dbraw/zinc/16/69/53/564166953.db2.gz JTUJRPLHGSMGDM-UHFFFAOYSA-N 1 1 338.238 3.501 50 0 EHAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000069742557 564171936 /nfs/dbraw/zinc/17/19/36/564171936.db2.gz PWVYSPKVLPAUFT-PMACEKPBSA-N 1 1 339.483 3.576 50 0 EHAAMO NC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000069775835 564172138 /nfs/dbraw/zinc/17/21/38/564172138.db2.gz MUINTDPMFXYFGH-FQEVSTJZSA-N 1 1 334.394 3.804 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000071875813 564176256 /nfs/dbraw/zinc/17/62/56/564176256.db2.gz JKMSTIKTYDITDR-UONOGXRCSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000071875813 564176257 /nfs/dbraw/zinc/17/62/57/564176257.db2.gz JKMSTIKTYDITDR-UONOGXRCSA-N 1 1 343.456 3.529 50 0 EHAAMO O=C(C[NH+]1CCC(CO)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000076991661 564176565 /nfs/dbraw/zinc/17/65/65/564176565.db2.gz RORWREZFVMSGRO-UHFFFAOYSA-N 1 1 348.446 3.722 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)c1ccsc1 ZINC000078052007 564176878 /nfs/dbraw/zinc/17/68/78/564176878.db2.gz KCLQVFQRRTZEIZ-FNHZYXHNSA-N 1 1 340.492 3.995 50 0 EHAAMO C[N@@H+](CCC(=O)Nc1ccc(F)c(Cl)c1)C1CCSCC1 ZINC000252500697 568419108 /nfs/dbraw/zinc/41/91/08/568419108.db2.gz TUFXITUNSFCFHO-UHFFFAOYSA-N 1 1 330.856 3.635 50 0 EHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000169781500 1032646056 /nfs/dbraw/zinc/64/60/56/1032646056.db2.gz IFMSJBVTCFWARD-INIZCTEOSA-N 1 1 338.854 3.560 50 0 EHAAMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCCc2occc2C1 ZINC000344294304 1031131091 /nfs/dbraw/zinc/13/10/91/1031131091.db2.gz UAWCXKKNWNHXQD-CYBMUJFWSA-N 1 1 348.393 3.526 50 0 EHAAMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCCc2occc2C1 ZINC000344294304 1031131100 /nfs/dbraw/zinc/13/11/00/1031131100.db2.gz UAWCXKKNWNHXQD-CYBMUJFWSA-N 1 1 348.393 3.526 50 0 EHAAMO Cc1noc([C@@H]2C[N@@H+](CCCc3ccccc3)CC23CCCC3)n1 ZINC000257174196 1034557944 /nfs/dbraw/zinc/55/79/44/1034557944.db2.gz DGCLNLFMGPZCBV-SFHVURJKSA-N 1 1 325.456 3.970 50 0 EHAAMO Cc1[nH+]c(CN2CCc3[nH]nc(CC4CCCC4)c3C2)c2ccccn12 ZINC000023310528 1035068505 /nfs/dbraw/zinc/06/85/05/1035068505.db2.gz SOSISNSOMKHSFN-UHFFFAOYSA-N 1 1 349.482 3.657 50 0 EHAAMO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCCCCCN1 ZINC000257178986 1038398067 /nfs/dbraw/zinc/39/80/67/1038398067.db2.gz HRAKUFBTGMUTFC-UHFFFAOYSA-N 1 1 328.378 3.588 50 0 EHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCCCCCC1)C[C@H](C)O2 ZINC000014989783 1129593489 /nfs/dbraw/zinc/59/34/89/1129593489.db2.gz IMXATPRVPUKHCU-SFHVURJKSA-N 1 1 344.499 3.761 50 0 EHAAMO Cc1cccc(CN2CC[C@H]([N@@H+](C)Cc3ccco3)CCC2=O)c1 ZINC000012455422 1129944294 /nfs/dbraw/zinc/94/42/94/1129944294.db2.gz KCWYZBUHGYLERP-GOSISDBHSA-N 1 1 326.440 3.601 50 0 EHAAMO CCc1nccn1C[C@@H](C)[NH2+]CCCc1nc2ccc(Cl)cc2[nH]1 ZINC000823557463 1131073662 /nfs/dbraw/zinc/07/36/62/1131073662.db2.gz QVUHMBRHUJCRCR-CYBMUJFWSA-N 1 1 345.878 3.586 50 0 EHAAMO Cc1cc(C(=O)NCCn2c[nH+]c(C)c2C)sc1-c1ccccc1 ZINC000828144050 1131422460 /nfs/dbraw/zinc/42/24/60/1131422460.db2.gz JBGKBVPEGHOFRI-UHFFFAOYSA-N 1 1 339.464 3.967 50 0 EHAAMO CC(C)[N@H+]1CC2(CCN(C(=O)c3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000581802761 1132362700 /nfs/dbraw/zinc/36/27/00/1132362700.db2.gz PFYSOCGRQAQPSX-FQEVSTJZSA-N 1 1 349.478 3.769 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000581817192 1132375084 /nfs/dbraw/zinc/37/50/84/1132375084.db2.gz XKDGRXRVKXVQJL-UHFFFAOYSA-N 1 1 333.435 3.521 50 0 EHAAMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000585084695 1136975618 /nfs/dbraw/zinc/97/56/18/1136975618.db2.gz UWPZBRICFRCRSN-IBGZPJMESA-N 1 1 338.455 3.938 50 0 EHAAMO CCOc1cc2c(c(CNc3cc(CCOC)cc[nH+]3)c1)O[C@@H](C)C2 ZINC000952845128 1137482303 /nfs/dbraw/zinc/48/23/03/1137482303.db2.gz SRAHKMFQQWLDLK-AWEZNQCLSA-N 1 1 342.439 3.605 50 0 EHAAMO CCOc1ccc(C[N@H+](C)[C@H](COC)c2ccccn2)cc1Cl ZINC000952974116 1137484605 /nfs/dbraw/zinc/48/46/05/1137484605.db2.gz LBTSNUUCBFJRNU-QGZVFWFLSA-N 1 1 334.847 3.953 50 0 EHAAMO CCOc1ccc(C[N@@H+](C)[C@H](COC)c2ccccn2)cc1Cl ZINC000952974116 1137484606 /nfs/dbraw/zinc/48/46/06/1137484606.db2.gz LBTSNUUCBFJRNU-QGZVFWFLSA-N 1 1 334.847 3.953 50 0 EHAAMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000053233566 214170840 /nfs/dbraw/zinc/17/08/40/214170840.db2.gz IZRZBAAFLPJAGZ-CYBMUJFWSA-N 1 1 327.815 3.541 50 0 EHAAMO CCn1c(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)nc2ccccc21 ZINC000054041197 214212363 /nfs/dbraw/zinc/21/23/63/214212363.db2.gz BNXFXWPKMOVAKS-AWEZNQCLSA-N 1 1 339.439 3.924 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(C(F)(F)F)nc1)C(C)C ZINC000055042430 214266576 /nfs/dbraw/zinc/26/65/76/214266576.db2.gz PFCGTOHVGJLAFY-UHFFFAOYSA-N 1 1 340.393 3.861 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(C(F)(F)F)nc1)C(C)C ZINC000055042430 214266579 /nfs/dbraw/zinc/26/65/79/214266579.db2.gz PFCGTOHVGJLAFY-UHFFFAOYSA-N 1 1 340.393 3.861 50 0 EHAAMO Fc1cccc(C[NH2+]Cc2cn3cc(Br)ccc3n2)c1 ZINC000055178789 214284184 /nfs/dbraw/zinc/28/41/84/214284184.db2.gz XJYHPMLJLFQALE-UHFFFAOYSA-N 1 1 334.192 3.526 50 0 EHAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000004683216 210246945 /nfs/dbraw/zinc/24/69/45/210246945.db2.gz RNLWGZAXYXSKHH-UHFFFAOYSA-N 1 1 349.544 3.978 50 0 EHAAMO Cc1ccccc1-n1nnnc1C1([NH2+]Cc2ccccc2)CCCCC1 ZINC000004064954 210112301 /nfs/dbraw/zinc/11/23/01/210112301.db2.gz YUCZIYGOYJLRST-UHFFFAOYSA-N 1 1 347.466 3.920 50 0 EHAAMO CC(C)(C)c1ccc(=O)n(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000066792555 215079712 /nfs/dbraw/zinc/07/97/12/215079712.db2.gz QTHITDNJUWNHAH-SFHVURJKSA-N 1 1 327.472 3.875 50 0 EHAAMO COc1cccc(Cn2cc[nH+]c2[C@H]2CCOC(C)(C)C2)c1OC ZINC000067714783 215192335 /nfs/dbraw/zinc/19/23/35/215192335.db2.gz BXYBLSICESOXCW-AWEZNQCLSA-N 1 1 330.428 3.621 50 0 EHAAMO O=C(NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067784990 215210306 /nfs/dbraw/zinc/21/03/06/215210306.db2.gz MHUMYFPSQPDQAO-MRXNPFEDSA-N 1 1 339.483 3.686 50 0 EHAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067784996 215210380 /nfs/dbraw/zinc/21/03/80/215210380.db2.gz MHUMYFPSQPDQAO-INIZCTEOSA-N 1 1 339.483 3.686 50 0 EHAAMO C[C@@H](c1cc2ccccc2[nH]1)[N@@H+](C)CCC(=O)Nc1nccs1 ZINC000067821486 215223255 /nfs/dbraw/zinc/22/32/55/215223255.db2.gz MZRHBFDHISHQQW-LBPRGKRZSA-N 1 1 328.441 3.646 50 0 EHAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccco2)C1)Nc1ccccc1Cl ZINC000067908683 215247504 /nfs/dbraw/zinc/24/75/04/215247504.db2.gz OPKUCQVBDJHOEU-ZDUSSCGKSA-N 1 1 333.819 3.577 50 0 EHAAMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000067921806 215250990 /nfs/dbraw/zinc/25/09/90/215250990.db2.gz ABJOYSPDSIYBTQ-LJQANCHMSA-N 1 1 337.423 3.787 50 0 EHAAMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000067921806 215250993 /nfs/dbraw/zinc/25/09/93/215250993.db2.gz ABJOYSPDSIYBTQ-LJQANCHMSA-N 1 1 337.423 3.787 50 0 EHAAMO CC(C)[N@H+]1CCN(Cc2ccc(C3CCCC3)s2)C[C@H]1CCO ZINC000104508832 219391447 /nfs/dbraw/zinc/39/14/47/219391447.db2.gz HFVCPSQDCNZMGD-QGZVFWFLSA-N 1 1 336.545 3.683 50 0 EHAAMO CC(C)N1CC[N@H+](Cc2ccc(C3CCCC3)s2)C[C@H]1CCO ZINC000104508832 219391449 /nfs/dbraw/zinc/39/14/49/219391449.db2.gz HFVCPSQDCNZMGD-QGZVFWFLSA-N 1 1 336.545 3.683 50 0 EHAAMO CC(C)N1CC[N@@H+](Cc2ccc(C3CCCC3)s2)C[C@H]1CCO ZINC000104508832 219391452 /nfs/dbraw/zinc/39/14/52/219391452.db2.gz HFVCPSQDCNZMGD-QGZVFWFLSA-N 1 1 336.545 3.683 50 0 EHAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)COCc1cccs1 ZINC000040160717 213276916 /nfs/dbraw/zinc/27/69/16/213276916.db2.gz XXHWVLCNDKJLFQ-LPHOPBHVSA-N 1 1 345.508 3.926 50 0 EHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3)cc2)C1 ZINC000040107906 213267487 /nfs/dbraw/zinc/26/74/87/213267487.db2.gz AEBOJTNKVYJYIK-QGZVFWFLSA-N 1 1 338.451 3.936 50 0 EHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3)cc2)C1 ZINC000040107907 213267024 /nfs/dbraw/zinc/26/70/24/213267024.db2.gz AEBOJTNKVYJYIK-KRWDZBQOSA-N 1 1 338.451 3.936 50 0 EHAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000040007565 213249988 /nfs/dbraw/zinc/24/99/88/213249988.db2.gz XGUONCHUASDJJN-AWEZNQCLSA-N 1 1 341.386 3.948 50 0 EHAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000040007565 213249993 /nfs/dbraw/zinc/24/99/93/213249993.db2.gz XGUONCHUASDJJN-AWEZNQCLSA-N 1 1 341.386 3.948 50 0 EHAAMO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000037308281 213138860 /nfs/dbraw/zinc/13/88/60/213138860.db2.gz RBLAQADRKSQVJS-AUUYWEPGSA-N 1 1 342.414 3.998 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000037308281 213138861 /nfs/dbraw/zinc/13/88/61/213138861.db2.gz RBLAQADRKSQVJS-AUUYWEPGSA-N 1 1 342.414 3.998 50 0 EHAAMO Cc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036104469 213069090 /nfs/dbraw/zinc/06/90/90/213069090.db2.gz KWGJWJICWZRSCK-OAQYLSRUSA-N 1 1 327.468 3.783 50 0 EHAAMO COc1cc(Br)c(C[NH2+]Cc2ccccc2)cc1OC ZINC000034990812 213003439 /nfs/dbraw/zinc/00/34/39/213003439.db2.gz UAJLTVAHBLUBGW-UHFFFAOYSA-N 1 1 336.229 3.756 50 0 EHAAMO CC[C@@H]1CN(Cc2cc3ccccc3nc2OC)CC[N@H+]1C(C)C ZINC000072145199 216031731 /nfs/dbraw/zinc/03/17/31/216031731.db2.gz BNNZAAYEZCWGSR-GOSISDBHSA-N 1 1 327.472 3.548 50 0 EHAAMO Oc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000072164705 216052971 /nfs/dbraw/zinc/05/29/71/216052971.db2.gz WPSQZTBQTTYMKL-UHFFFAOYSA-N 1 1 348.849 3.893 50 0 EHAAMO Cc1c[nH]c(C[N@H+]2CCCC[C@H]2CCc2cccc(O)c2)c(C)c1=O ZINC000072163553 216051241 /nfs/dbraw/zinc/05/12/41/216051241.db2.gz DUOYQZHVNLTKSB-SFHVURJKSA-N 1 1 340.467 3.685 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000072267586 216087440 /nfs/dbraw/zinc/08/74/40/216087440.db2.gz JFWXSIUPFQNNGY-IBGZPJMESA-N 1 1 335.455 3.626 50 0 EHAAMO Fc1ccc(CC[N@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000072289493 216122391 /nfs/dbraw/zinc/12/23/91/216122391.db2.gz REKOYPIHOWQDGL-UHFFFAOYSA-N 1 1 341.352 3.792 50 0 EHAAMO Fc1ccc(CC[N@@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000072289493 216122394 /nfs/dbraw/zinc/12/23/94/216122394.db2.gz REKOYPIHOWQDGL-UHFFFAOYSA-N 1 1 341.352 3.792 50 0 EHAAMO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000072311986 216147813 /nfs/dbraw/zinc/14/78/13/216147813.db2.gz VMBHSWSBRUCKDX-HNNXBMFYSA-N 1 1 346.377 3.544 50 0 EHAAMO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000072311986 216147818 /nfs/dbraw/zinc/14/78/18/216147818.db2.gz VMBHSWSBRUCKDX-HNNXBMFYSA-N 1 1 346.377 3.544 50 0 EHAAMO c1ccc(C[NH2+]C2(c3nnnn3-c3ccccc3)CCCCC2)cc1 ZINC000022436704 212297295 /nfs/dbraw/zinc/29/72/95/212297295.db2.gz WBBPJTMAIVWVQD-UHFFFAOYSA-N 1 1 333.439 3.612 50 0 EHAAMO Cc1csc([C@H](C)[N@H+](C)Cc2cccc(Cn3cccn3)c2)n1 ZINC000214978462 241100383 /nfs/dbraw/zinc/10/03/83/241100383.db2.gz CRHPQJSQGNIVHE-HNNXBMFYSA-N 1 1 326.469 3.889 50 0 EHAAMO Cc1csc([C@H](C)[N@@H+](C)Cc2cccc(Cn3cccn3)c2)n1 ZINC000214978462 241100389 /nfs/dbraw/zinc/10/03/89/241100389.db2.gz CRHPQJSQGNIVHE-HNNXBMFYSA-N 1 1 326.469 3.889 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000215019786 241103343 /nfs/dbraw/zinc/10/33/43/241103343.db2.gz ZGGVCUVGVIDVKO-GFCCVEGCSA-N 1 1 331.847 3.520 50 0 EHAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4cccc(Cl)c4n3)C2)no1 ZINC000216304198 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O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229714109 242192403 /nfs/dbraw/zinc/19/24/03/242192403.db2.gz BLQCGCFSMRRQPV-YADHBBJMSA-N 1 1 348.490 3.952 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000021175389 212213976 /nfs/dbraw/zinc/21/39/76/212213976.db2.gz HNBPNUQVQPNMMO-GFCCVEGCSA-N 1 1 339.842 3.865 50 0 EHAAMO COc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCOC2)cc1 ZINC000243885706 243027953 /nfs/dbraw/zinc/02/79/53/243027953.db2.gz ABPVADLNBCVTBC-SFHVURJKSA-N 1 1 326.440 3.519 50 0 EHAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000243892627 243030833 /nfs/dbraw/zinc/03/08/33/243030833.db2.gz AJTFBCHQARYMQF-AWEZNQCLSA-N 1 1 340.402 3.642 50 0 EHAAMO Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCO2)cc1Cl ZINC000244872867 243088831 /nfs/dbraw/zinc/08/88/31/243088831.db2.gz WFSWBWWMFLGSLX-MRXNPFEDSA-N 1 1 338.879 3.868 50 0 EHAAMO CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000020213667 212111769 /nfs/dbraw/zinc/11/17/69/212111769.db2.gz OQDKOOAVDQMJLA-UHFFFAOYSA-N 1 1 337.467 3.907 50 0 EHAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000019835924 212074634 /nfs/dbraw/zinc/07/46/34/212074634.db2.gz KBZKVFLNOHXJCH-KRWDZBQOSA-N 1 1 336.414 3.990 50 0 EHAAMO Cc1noc(C2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000049333404 214001269 /nfs/dbraw/zinc/00/12/69/214001269.db2.gz KVZFLRJAWYWMQZ-UHFFFAOYSA-N 1 1 336.233 3.520 50 0 EHAAMO COCc1ccc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000019223058 212006161 /nfs/dbraw/zinc/00/61/61/212006161.db2.gz LVPKYLJFCYRSQB-GOSISDBHSA-N 1 1 328.456 3.522 50 0 EHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](CCCSC)C2)cc1C ZINC000012387377 211365544 /nfs/dbraw/zinc/36/55/44/211365544.db2.gz DZJWNAUSALGFLF-MRXNPFEDSA-N 1 1 335.513 3.960 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(C)n1 ZINC000012301041 211336554 /nfs/dbraw/zinc/33/65/54/211336554.db2.gz COURMZPYYCVBCQ-FQEVSTJZSA-N 1 1 326.488 3.905 50 0 EHAAMO O=C(c1cc2ccccc2cn1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091550896 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EHAAMO Cc1cccc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)n(C)c21 ZINC000095354449 218288714 /nfs/dbraw/zinc/28/87/14/218288714.db2.gz ULQYJBUNORZBHB-HXUWFJFHSA-N 1 1 347.462 3.616 50 0 EHAAMO Cc1cccc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)n(C)c21 ZINC000095354449 218288716 /nfs/dbraw/zinc/28/87/16/218288716.db2.gz ULQYJBUNORZBHB-HXUWFJFHSA-N 1 1 347.462 3.616 50 0 EHAAMO Cc1cccc([C@@H](C(=O)NCc2cc(-c3ccccc3)no2)[NH+](C)C)c1 ZINC000095361317 218294448 /nfs/dbraw/zinc/29/44/48/218294448.db2.gz OSYBONHNBSFENY-FQEVSTJZSA-N 1 1 349.434 3.569 50 0 EHAAMO CC(C)=CCC[N@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095371282 218303795 /nfs/dbraw/zinc/30/37/95/218303795.db2.gz RLXHDAHVNKWOOR-INIZCTEOSA-N 1 1 330.501 3.924 50 0 EHAAMO Cc1cc(C)c2c(ncnc2NC[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000095377907 218310681 /nfs/dbraw/zinc/31/06/81/218310681.db2.gz IODZKCBQKTUMSB-MRXNPFEDSA-N 1 1 339.487 3.708 50 0 EHAAMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232107 219000622 /nfs/dbraw/zinc/00/06/22/219000622.db2.gz IYZUBVFXRPFSIQ-HBUWYVDXSA-N 1 1 327.428 3.673 50 0 EHAAMO Cc1c2ccccc2[nH]c1-c1nc([C@H]2CCOC2)nn1-c1cc[nH+]cc1 ZINC000097370304 219016026 /nfs/dbraw/zinc/01/60/26/219016026.db2.gz RYRGEVVZVOSNQP-AWEZNQCLSA-N 1 1 345.406 3.623 50 0 EHAAMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccccc2C)c1 ZINC000123715841 222322078 /nfs/dbraw/zinc/32/20/78/222322078.db2.gz ZKXVSSNIBRWKRZ-IRXDYDNUSA-N 1 1 332.407 3.626 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)cc1 ZINC000036101739 524420772 /nfs/dbraw/zinc/42/07/72/524420772.db2.gz WSSHOTRPWQNXIK-OAQYLSRUSA-N 1 1 327.468 3.783 50 0 EHAAMO c1csc(N2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000064402001 551199780 /nfs/dbraw/zinc/19/97/80/551199780.db2.gz UHAMUBGOQVPGGQ-UHFFFAOYSA-N 1 1 340.452 3.510 50 0 EHAAMO c1csc(N2CCC[N@H+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000064402001 551199784 /nfs/dbraw/zinc/19/97/84/551199784.db2.gz UHAMUBGOQVPGGQ-UHFFFAOYSA-N 1 1 340.452 3.510 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000097047827 563966994 /nfs/dbraw/zinc/96/69/94/563966994.db2.gz FTFUAJAEUGQSQX-RYUDHWBXSA-N 1 1 330.448 3.567 50 0 EHAAMO CCC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CCCC2)C1 ZINC000584901886 563417292 /nfs/dbraw/zinc/41/72/92/563417292.db2.gz LOXXLLIRHAHEDD-GOSISDBHSA-N 1 1 329.488 3.625 50 0 EHAAMO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000002514822 563435581 /nfs/dbraw/zinc/43/55/81/563435581.db2.gz FDKFMBRWTNPATH-UHFFFAOYSA-N 1 1 349.496 3.542 50 0 EHAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000013116874 563688473 /nfs/dbraw/zinc/68/84/73/563688473.db2.gz WQSJKFDKTGKSBV-FXAWDEMLSA-N 1 1 325.452 3.825 50 0 EHAAMO CCn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c2ccccc21 ZINC000032841693 563760838 /nfs/dbraw/zinc/76/08/38/563760838.db2.gz BIKKCIRQNMIEPT-OAQYLSRUSA-N 1 1 347.462 3.790 50 0 EHAAMO CCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccccc21 ZINC000032841693 563760840 /nfs/dbraw/zinc/76/08/40/563760840.db2.gz BIKKCIRQNMIEPT-OAQYLSRUSA-N 1 1 347.462 3.790 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc2cccnc21 ZINC000032865621 563766068 /nfs/dbraw/zinc/76/60/68/563766068.db2.gz CVBFEZHEDOWGSX-UHFFFAOYSA-N 1 1 349.434 3.704 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc(OC)c1 ZINC000015064816 563774643 /nfs/dbraw/zinc/77/46/43/563774643.db2.gz XHFDAFWPKAEORN-GOSISDBHSA-N 1 1 326.440 3.780 50 0 EHAAMO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015065229 563775241 /nfs/dbraw/zinc/77/52/41/563775241.db2.gz PFFJLKJTEBAJPO-FQEVSTJZSA-N 1 1 342.414 3.547 50 0 EHAAMO c1ccc(-c2cccc(N3CCC([NH2+][C@@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC000020168117 563858683 /nfs/dbraw/zinc/85/86/83/563858683.db2.gz YURITSCHFAZWOJ-OAQYLSRUSA-N 1 1 335.495 3.664 50 0 EHAAMO c1ccc(-c2cccc(N3CCC(N[C@@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC000020168117 563858686 /nfs/dbraw/zinc/85/86/86/563858686.db2.gz YURITSCHFAZWOJ-OAQYLSRUSA-N 1 1 335.495 3.664 50 0 EHAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000027054984 563894573 /nfs/dbraw/zinc/89/45/73/563894573.db2.gz PKSZPQWPKGDGSB-KRWDZBQOSA-N 1 1 328.412 3.790 50 0 EHAAMO CC(=O)Nc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCCCCC2)cc1 ZINC000030664854 563910237 /nfs/dbraw/zinc/91/02/37/563910237.db2.gz FAYFRIUCGPXPAQ-FQEVSTJZSA-N 1 1 331.504 3.635 50 0 EHAAMO Cc1csc2c1ncn(CC[C@@H]1CCCC[N@H+]1C1CCCC1)c2=O ZINC000032580934 563914005 /nfs/dbraw/zinc/91/40/05/563914005.db2.gz BEVTTYDCKZYULS-INIZCTEOSA-N 1 1 345.512 3.954 50 0 EHAAMO COc1ccc2oc(=O)cc(C[N@@H+](C)Cc3ccc(F)cc3)c2c1 ZINC000033018729 563914726 /nfs/dbraw/zinc/91/47/26/563914726.db2.gz ZWWHKYZYZUZBJN-UHFFFAOYSA-N 1 1 327.355 3.573 50 0 EHAAMO CC(C)c1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)on1 ZINC000058184651 563939298 /nfs/dbraw/zinc/93/92/98/563939298.db2.gz UJDZZRBSAGEWNP-QGZVFWFLSA-N 1 1 341.455 3.834 50 0 EHAAMO CC(C)c1cc(NC(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)on1 ZINC000058184651 563939299 /nfs/dbraw/zinc/93/92/99/563939299.db2.gz UJDZZRBSAGEWNP-QGZVFWFLSA-N 1 1 341.455 3.834 50 0 EHAAMO Cc1cccc2cc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)oc21 ZINC000058393319 563944716 /nfs/dbraw/zinc/94/47/16/563944716.db2.gz VUDCKOSECNTMHF-HNNXBMFYSA-N 1 1 328.456 3.983 50 0 EHAAMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1OC ZINC000064667024 563957009 /nfs/dbraw/zinc/95/70/09/563957009.db2.gz HNEJVBVOZQIYPG-MRXNPFEDSA-N 1 1 330.428 3.981 50 0 EHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(CC)no2)cc1OC ZINC000064667024 563957011 /nfs/dbraw/zinc/95/70/11/563957011.db2.gz HNEJVBVOZQIYPG-MRXNPFEDSA-N 1 1 330.428 3.981 50 0 EHAAMO Cc1cc(C)n(-c2cc(C)ccc2-c2ccc(-n3cc[nH+]c3C)nn2)n1 ZINC000065393963 563959559 /nfs/dbraw/zinc/95/95/59/563959559.db2.gz IUCLMRXTHBEOKZ-UHFFFAOYSA-N 1 1 344.422 3.749 50 0 EHAAMO CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000065455827 563961023 /nfs/dbraw/zinc/96/10/23/563961023.db2.gz BSHLAEORTRDTCQ-FQEVSTJZSA-N 1 1 337.467 3.657 50 0 EHAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000065470468 563961435 /nfs/dbraw/zinc/96/14/35/563961435.db2.gz UWAQMKBGLBSQGH-FQEVSTJZSA-N 1 1 330.447 3.667 50 0 EHAAMO COc1ccc(C[N@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)c(F)c1 ZINC000065526265 563961781 /nfs/dbraw/zinc/96/17/81/563961781.db2.gz DWUNOKIOIUAIIU-NVXWUHKLSA-N 1 1 335.444 3.555 50 0 EHAAMO CSc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CO)C3)c(C)o2)cc1 ZINC000071479559 563964476 /nfs/dbraw/zinc/96/44/76/563964476.db2.gz DCADMCKJEIAFCS-CQSZACIVSA-N 1 1 332.469 3.576 50 0 EHAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000077286221 563968675 /nfs/dbraw/zinc/96/86/75/563968675.db2.gz HRXUQPWXZUOYKB-OAHLLOKOSA-N 1 1 339.418 3.627 50 0 EHAAMO COc1ccc(Oc2cccc(CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2)cc1 ZINC000077318996 563968935 /nfs/dbraw/zinc/96/89/35/563968935.db2.gz QZIQDTXJIRTDBH-LAUBAEHRSA-N 1 1 338.451 3.623 50 0 EHAAMO COc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4CCN(C)[C@@H]4C3)c2)cc1 ZINC000077318996 563968936 /nfs/dbraw/zinc/96/89/36/563968936.db2.gz QZIQDTXJIRTDBH-LAUBAEHRSA-N 1 1 338.451 3.623 50 0 EHAAMO COc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4CCN(C)[C@@H]4C3)c2)cc1 ZINC000077318996 563968937 /nfs/dbraw/zinc/96/89/37/563968937.db2.gz QZIQDTXJIRTDBH-LAUBAEHRSA-N 1 1 338.451 3.623 50 0 EHAAMO COCCn1cncc1C[N@H+]1CCCC[C@H]1CCc1cccs1 ZINC000077420474 563969586 /nfs/dbraw/zinc/96/95/86/563969586.db2.gz SXUVMAJINHNZNO-INIZCTEOSA-N 1 1 333.501 3.578 50 0 EHAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000077427835 563969609 /nfs/dbraw/zinc/96/96/09/563969609.db2.gz HIFSXRZQCGVARH-KRWDZBQOSA-N 1 1 338.854 3.846 50 0 EHAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077485418 563969915 /nfs/dbraw/zinc/96/99/15/563969915.db2.gz GYYDNINQRLIZSV-INIZCTEOSA-N 1 1 331.485 3.986 50 0 EHAAMO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077505599 563970101 /nfs/dbraw/zinc/97/01/01/563970101.db2.gz DXPVCNDRHUTVSC-INIZCTEOSA-N 1 1 336.439 3.628 50 0 EHAAMO FC(F)C(F)(F)CC[N@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082120084 563972432 /nfs/dbraw/zinc/97/24/32/563972432.db2.gz XQNZDTZBWLVYCG-ZDUSSCGKSA-N 1 1 333.373 3.763 50 0 EHAAMO c1cn(CC2CC2)c([C@@H]2CCCN(c3ncnc4sccc43)C2)[nH+]1 ZINC000082137174 563972591 /nfs/dbraw/zinc/97/25/91/563972591.db2.gz QDCDNTYHMQJLQW-CQSZACIVSA-N 1 1 339.468 3.682 50 0 EHAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1cc(F)cc(F)c1 ZINC000085651306 563973908 /nfs/dbraw/zinc/97/39/08/563973908.db2.gz URTPGJSQGXSBIT-UHFFFAOYSA-N 1 1 333.403 3.745 50 0 EHAAMO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)n1C ZINC000132816662 563976302 /nfs/dbraw/zinc/97/63/02/563976302.db2.gz QZQMIMUMZPQSOY-SFHVURJKSA-N 1 1 340.858 3.851 50 0 EHAAMO CC(=O)NCC1CCN(c2cc[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000096151533 563979698 /nfs/dbraw/zinc/97/96/98/563979698.db2.gz MYSJWKZMSAURSI-UHFFFAOYSA-N 1 1 331.847 3.549 50 0 EHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000061801788 564001462 /nfs/dbraw/zinc/00/14/62/564001462.db2.gz QFYJXEAVNQUNHK-HLIPFELVSA-N 1 1 344.499 3.727 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000106905565 564026721 /nfs/dbraw/zinc/02/67/21/564026721.db2.gz STSGDFRHXOUETM-CVEARBPZSA-N 1 1 335.467 3.649 50 0 EHAAMO FC(F)Oc1ccccc1C[NH2+]Cc1c(Cl)nc2sccn21 ZINC000048311838 564030799 /nfs/dbraw/zinc/03/07/99/564030799.db2.gz ZQXQTDRLGKYMFM-UHFFFAOYSA-N 1 1 343.786 3.940 50 0 EHAAMO COc1cc2c(cc1C[NH2+][C@H]1CCOc3ccccc31)O[C@@H](C)C2 ZINC000025357596 564037197 /nfs/dbraw/zinc/03/71/97/564037197.db2.gz XXFZIHMQVLHJGC-GUYCJALGSA-N 1 1 325.408 3.632 50 0 EHAAMO COc1cc2c(cc1C[NH2+][C@@H]1CCOc3ccccc31)O[C@H](C)C2 ZINC000025357581 564037199 /nfs/dbraw/zinc/03/71/99/564037199.db2.gz XXFZIHMQVLHJGC-CXAGYDPISA-N 1 1 325.408 3.632 50 0 EHAAMO Cc1nc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(C(C)C)n1 ZINC000426635522 564051444 /nfs/dbraw/zinc/05/14/44/564051444.db2.gz SJFMBJDAPCEOEI-HNNXBMFYSA-N 1 1 325.456 3.969 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+](C)C)o1 ZINC000015860092 564076892 /nfs/dbraw/zinc/07/68/92/564076892.db2.gz TUCZBQPHIUXGNH-QGZVFWFLSA-N 1 1 328.456 3.918 50 0 EHAAMO CC(=O)Nc1ccc(CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000012926464 564078532 /nfs/dbraw/zinc/07/85/32/564078532.db2.gz CXMDGCOUDOWOTN-UHFFFAOYSA-N 1 1 337.467 3.531 50 0 EHAAMO CC(C)c1cc(C[NH2+]Cc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000088724193 564079733 /nfs/dbraw/zinc/07/97/33/564079733.db2.gz ZUHLRHWPGTVMJJ-IYBDPMFKSA-N 1 1 343.471 3.701 50 0 EHAAMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)CC[C@H]2CCC[C@@H](C)C2)c1 ZINC000089103615 564079844 /nfs/dbraw/zinc/07/98/44/564079844.db2.gz INSWXKITTAQLFV-NVXWUHKLSA-N 1 1 345.487 3.732 50 0 EHAAMO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000075106046 564080101 /nfs/dbraw/zinc/08/01/01/564080101.db2.gz PQTXWSZLVXTREA-GOEBONIOSA-N 1 1 344.405 3.748 50 0 EHAAMO c1cc([C@@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000179856781 564081617 /nfs/dbraw/zinc/08/16/17/564081617.db2.gz RWNXJQBUPCWAMM-GOSISDBHSA-N 1 1 348.450 3.763 50 0 EHAAMO c1cc([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]n1 ZINC000179856781 564081618 /nfs/dbraw/zinc/08/16/18/564081618.db2.gz RWNXJQBUPCWAMM-GOSISDBHSA-N 1 1 348.450 3.763 50 0 EHAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000243932517 564088561 /nfs/dbraw/zinc/08/85/61/564088561.db2.gz BWSBEPRSVTVIBO-NHCUHLMSSA-N 1 1 328.500 3.924 50 0 EHAAMO COc1ccc(-c2noc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)n2)cc1 ZINC000092226345 564088896 /nfs/dbraw/zinc/08/88/96/564088896.db2.gz XNHJIOQUQXASNZ-KRWDZBQOSA-N 1 1 345.443 3.525 50 0 EHAAMO COc1ccc(-c2noc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)n2)cc1 ZINC000092226345 564088897 /nfs/dbraw/zinc/08/88/97/564088897.db2.gz XNHJIOQUQXASNZ-KRWDZBQOSA-N 1 1 345.443 3.525 50 0 EHAAMO CC(C)Oc1ccccc1-c1ccc([C@H](O)C[NH+]2CCOCC2)cc1 ZINC000426492739 564093857 /nfs/dbraw/zinc/09/38/57/564093857.db2.gz DAGWFTSMWJDPLC-HXUWFJFHSA-N 1 1 341.451 3.506 50 0 EHAAMO C[C@H](c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1)[NH+]1CCOCC1 ZINC000426544723 564094076 /nfs/dbraw/zinc/09/40/76/564094076.db2.gz KCSNQDZSLNBACK-OAHLLOKOSA-N 1 1 340.471 3.913 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3cccc(-c4ccc(C)o4)c3)[C@H]1C[C@H](O)CC2 ZINC000426563360 564094127 /nfs/dbraw/zinc/09/41/27/564094127.db2.gz ZQILNRNLEFJRLY-HLAWJBBLSA-N 1 1 341.451 3.759 50 0 EHAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)c1 ZINC000036100346 564096070 /nfs/dbraw/zinc/09/60/70/564096070.db2.gz ALIWATMIYIEILJ-LJQANCHMSA-N 1 1 337.504 3.577 50 0 EHAAMO CCC[N@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036100588 564096140 /nfs/dbraw/zinc/09/61/40/564096140.db2.gz XZKXVHNEJRPKMU-LJQANCHMSA-N 1 1 343.467 3.656 50 0 EHAAMO CCCC[NH+]1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1 ZINC000065285669 564104323 /nfs/dbraw/zinc/10/43/23/564104323.db2.gz QVXMRKPHPWUHHD-UHFFFAOYSA-N 1 1 331.485 3.596 50 0 EHAAMO COCCC[N@@H+]1Cc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2C1 ZINC000065513406 564106769 /nfs/dbraw/zinc/10/67/69/564106769.db2.gz PFCLOTPXTDEWJD-UHFFFAOYSA-N 1 1 349.434 3.772 50 0 EHAAMO COCCC[N@H+]1Cc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2C1 ZINC000065513406 564106770 /nfs/dbraw/zinc/10/67/70/564106770.db2.gz PFCLOTPXTDEWJD-UHFFFAOYSA-N 1 1 349.434 3.772 50 0 EHAAMO Cc1c(Cl)c(CN2CCC[N@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000065540356 564107282 /nfs/dbraw/zinc/10/72/82/564107282.db2.gz BXLWPJROONDENE-OAHLLOKOSA-N 1 1 329.875 3.867 50 0 EHAAMO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000240471586 564110079 /nfs/dbraw/zinc/11/00/79/564110079.db2.gz GCWDLELVKWRCRG-XJKSGUPXSA-N 1 1 336.476 3.743 50 0 EHAAMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](C)Cn3ccnc3C)C2)cc1 ZINC000089735529 564113446 /nfs/dbraw/zinc/11/34/46/564113446.db2.gz VKEKHRYWWSAWLS-TXPKVOOTSA-N 1 1 327.472 3.714 50 0 EHAAMO Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000252486390 564119375 /nfs/dbraw/zinc/11/93/75/564119375.db2.gz JPYXSAZOAMGUHZ-FGTMMUONSA-N 1 1 330.472 3.592 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1O ZINC000012150889 564128974 /nfs/dbraw/zinc/12/89/74/564128974.db2.gz BRQXFQASEVQZED-INIZCTEOSA-N 1 1 343.471 3.702 50 0 EHAAMO COc1cccc(OCc2nc(C3CCC3)n(-c3cc[nH+]cc3)n2)c1 ZINC000584891641 564131562 /nfs/dbraw/zinc/13/15/62/564131562.db2.gz IIVKOQUMPNOTKV-UHFFFAOYSA-N 1 1 336.395 3.517 50 0 EHAAMO Cc1ccc(F)c(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000095463320 564140917 /nfs/dbraw/zinc/14/09/17/564140917.db2.gz ABSNATUIJFEMAT-OAHLLOKOSA-N 1 1 329.419 3.776 50 0 EHAAMO CC(C)Cn1ncc(-c2nc([C@H]3CCCCC[NH2+]3)no2)c1C(F)F ZINC000096001517 564144396 /nfs/dbraw/zinc/14/43/96/564144396.db2.gz FFICRYSHIFLORQ-GFCCVEGCSA-N 1 1 339.390 3.731 50 0 EHAAMO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131649551 564152292 /nfs/dbraw/zinc/15/22/92/564152292.db2.gz OMBZCBLTYQDFAV-UHFFFAOYSA-N 1 1 339.483 3.896 50 0 EHAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2ncccc2c1 ZINC000131719353 564152627 /nfs/dbraw/zinc/15/26/27/564152627.db2.gz SCMRAORGUZROAL-UHFFFAOYSA-N 1 1 347.462 3.959 50 0 EHAAMO Cc1ccc2c(C[N@@H+](C)CCOc3ccccc3)cc(=O)oc2c1C ZINC000057463242 564154393 /nfs/dbraw/zinc/15/43/93/564154393.db2.gz STFGBQVVFRIJSL-UHFFFAOYSA-N 1 1 337.419 3.921 50 0 EHAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000003060211 564154854 /nfs/dbraw/zinc/15/48/54/564154854.db2.gz AHRCLBDOMXQPIL-AWEZNQCLSA-N 1 1 335.517 3.587 50 0 EHAAMO C[NH+](C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCCC1 ZINC000004257116 564161289 /nfs/dbraw/zinc/16/12/89/564161289.db2.gz ABCCPHBDTUFTJV-UHFFFAOYSA-N 1 1 347.466 3.642 50 0 EHAAMO CC1CCC([N@@H+](C)Cc2cc(=O)n3c4c(sc3n2)CCCC4)CC1 ZINC000007987229 564161857 /nfs/dbraw/zinc/16/18/57/564161857.db2.gz WJWOVNGRLIBOJY-UHFFFAOYSA-N 1 1 345.512 3.645 50 0 EHAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000008214290 564163566 /nfs/dbraw/zinc/16/35/66/564163566.db2.gz MFCGVRAPNCEHES-CQSZACIVSA-N 1 1 330.403 3.683 50 0 EHAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000008214290 564163567 /nfs/dbraw/zinc/16/35/67/564163567.db2.gz MFCGVRAPNCEHES-CQSZACIVSA-N 1 1 330.403 3.683 50 0 EHAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(OC)c1 ZINC000008320659 564164377 /nfs/dbraw/zinc/16/43/77/564164377.db2.gz 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Cc1cn2c(nc(C[N@H+](Cc3cccs3)CC(C)C)cc2=O)s1 ZINC000033068961 563962109 /nfs/dbraw/zinc/96/21/09/563962109.db2.gz YLBPFSUELCRUAC-UHFFFAOYSA-N 1 1 347.509 3.784 50 0 EHAAMO CC(C)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CCC[N@H+]1CC1CC1 ZINC000071419036 563964330 /nfs/dbraw/zinc/96/43/30/563964330.db2.gz DAPWOEOQXGXYIK-IBGZPJMESA-N 1 1 342.487 3.612 50 0 EHAAMO Cc1c(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cnn1C ZINC000071747965 563965003 /nfs/dbraw/zinc/96/50/03/563965003.db2.gz QJKFZMDYQDXMNW-OAHLLOKOSA-N 1 1 333.426 3.852 50 0 EHAAMO COc1cc(CN[C@H](C[NH+](C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971441 563966554 /nfs/dbraw/zinc/96/65/54/563966554.db2.gz ZBFZABZZDWWNOO-QGZVFWFLSA-N 1 1 348.874 3.750 50 0 EHAAMO c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)c1 ZINC000077406558 563969431 /nfs/dbraw/zinc/96/94/31/563969431.db2.gz LPKZXBXRUOFEHC-OAQYLSRUSA-N 1 1 349.482 3.573 50 0 EHAAMO Cc1ccc2nc([C@H]3CCCN3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505539 563970146 /nfs/dbraw/zinc/97/01/46/563970146.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 1 1 334.467 3.710 50 0 EHAAMO Cc1ccccc1NC(=O)N1CCC(C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000033312156 563973598 /nfs/dbraw/zinc/97/35/98/563973598.db2.gz WPUKTLCWXRWYLT-MRXNPFEDSA-N 1 1 329.488 3.971 50 0 EHAAMO CSc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc1 ZINC000091780812 563975760 /nfs/dbraw/zinc/97/57/60/563975760.db2.gz DTGKILKGJGFPPQ-NVXWUHKLSA-N 1 1 345.512 3.747 50 0 EHAAMO O[C@@H](COCc1ccccc1F)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000247733592 563981233 /nfs/dbraw/zinc/98/12/33/563981233.db2.gz IQXGCLGFGGGVNA-QUCCMNQESA-N 1 1 329.415 3.540 50 0 EHAAMO CC[NH+]1CCN(CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000060992162 563992292 /nfs/dbraw/zinc/99/22/92/563992292.db2.gz VCYXKKVCILUBRT-UHFFFAOYSA-N 1 1 347.462 3.655 50 0 EHAAMO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061285563 563993810 /nfs/dbraw/zinc/99/38/10/563993810.db2.gz UBUFUIUJXPIPLH-UHFFFAOYSA-N 1 1 326.465 3.796 50 0 EHAAMO Cc1nc2ccccc2c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426509925 563996224 /nfs/dbraw/zinc/99/62/24/563996224.db2.gz FYBWOZYASIUZEB-HNNXBMFYSA-N 1 1 333.435 3.998 50 0 EHAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000248139988 563996460 /nfs/dbraw/zinc/99/64/60/563996460.db2.gz PWVYSPKVLPAUFT-VQTJNVASSA-N 1 1 339.483 3.576 50 0 EHAAMO C[C@H](Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000179611154 564002215 /nfs/dbraw/zinc/00/22/15/564002215.db2.gz DZEJNBNUJPUNMH-ZACQAIPSSA-N 1 1 325.456 3.864 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000047038540 564025641 /nfs/dbraw/zinc/02/56/41/564025641.db2.gz TZBIUDFZTDKMDE-IYBDPMFKSA-N 1 1 328.456 3.921 50 0 EHAAMO Cc1cnn([C@H](C)[C@@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000106790687 564026632 /nfs/dbraw/zinc/02/66/32/564026632.db2.gz UIGJZRQVCDUOOD-RBSFLKMASA-N 1 1 325.416 3.542 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 ZINC000107358497 564026913 /nfs/dbraw/zinc/02/69/13/564026913.db2.gz ZFQDKACNDCLRSY-LSDHHAIUSA-N 1 1 335.517 3.916 50 0 EHAAMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000108352583 564028125 /nfs/dbraw/zinc/02/81/25/564028125.db2.gz UPWPVKRISVOSNH-KGLIPLIRSA-N 1 1 336.430 3.766 50 0 EHAAMO CC[N@@H+](CCc1ccccn1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000048261319 564030307 /nfs/dbraw/zinc/03/03/07/564030307.db2.gz VNVMTWZMWIVZQD-UHFFFAOYSA-N 1 1 342.830 3.850 50 0 EHAAMO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCCCCC3)n2)cc1 ZINC000008560136 564035801 /nfs/dbraw/zinc/03/58/01/564035801.db2.gz MFUGGIWOCGBNBB-UHFFFAOYSA-N 1 1 329.469 3.933 50 0 EHAAMO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC000222346465 564036814 /nfs/dbraw/zinc/03/68/14/564036814.db2.gz OTACMNKIGLAQFK-QFIPXVFZSA-N 1 1 348.490 3.667 50 0 EHAAMO Cc1ncc(-c2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000084290542 564067754 /nfs/dbraw/zinc/06/77/54/564067754.db2.gz FYTWTJIIAPCXJS-IBGZPJMESA-N 1 1 335.407 3.891 50 0 EHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000012781854 564070049 /nfs/dbraw/zinc/07/00/49/564070049.db2.gz DCLOKRFKPHEFEX-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000012781854 564070050 /nfs/dbraw/zinc/07/00/50/564070050.db2.gz DCLOKRFKPHEFEX-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000016377678 564081622 /nfs/dbraw/zinc/08/16/22/564081622.db2.gz UCTPXLNORDGYFX-KCQAQPDRSA-N 1 1 328.378 3.527 50 0 EHAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000016377678 564081623 /nfs/dbraw/zinc/08/16/23/564081623.db2.gz UCTPXLNORDGYFX-KCQAQPDRSA-N 1 1 328.378 3.527 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027811784 564087307 /nfs/dbraw/zinc/08/73/07/564087307.db2.gz WEIYVXIFQFRYDY-HUUCEWRRSA-N 1 1 342.443 3.605 50 0 EHAAMO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027811784 564087308 /nfs/dbraw/zinc/08/73/08/564087308.db2.gz WEIYVXIFQFRYDY-HUUCEWRRSA-N 1 1 342.443 3.605 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006455737 564087852 /nfs/dbraw/zinc/08/78/52/564087852.db2.gz IESQPBKYIUAJGX-PXNSSMCTSA-N 1 1 325.452 3.968 50 0 EHAAMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000245393427 564088674 /nfs/dbraw/zinc/08/86/74/564088674.db2.gz CTHYYUMGDOTWLX-MJGOQNOKSA-N 1 1 330.472 3.623 50 0 EHAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000075572451 564089586 /nfs/dbraw/zinc/08/95/86/564089586.db2.gz BKILZKVWSKAADQ-INIZCTEOSA-N 1 1 329.488 3.809 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000006882185 564100632 /nfs/dbraw/zinc/10/06/32/564100632.db2.gz ABFYATCPCMNGPM-OAHLLOKOSA-N 1 1 349.434 3.709 50 0 EHAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000007340643 564106983 /nfs/dbraw/zinc/10/69/83/564106983.db2.gz FKGUXWMNMILSAI-ZDUSSCGKSA-N 1 1 338.411 3.932 50 0 EHAAMO Cn1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c(C(F)F)n1 ZINC000170598068 564109166 /nfs/dbraw/zinc/10/91/66/564109166.db2.gz IIAATOBMKDOMPA-ZDUSSCGKSA-N 1 1 337.439 3.972 50 0 EHAAMO Cc1ccc(CN(C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)C2CC2)o1 ZINC000170626894 564110566 /nfs/dbraw/zinc/11/05/66/564110566.db2.gz JFLGOGLKSFFKNU-OAQYLSRUSA-N 1 1 342.483 3.901 50 0 EHAAMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000251015841 564112223 /nfs/dbraw/zinc/11/22/23/564112223.db2.gz ASVTUSWKXGUDDQ-AEFFLSMTSA-N 1 1 345.464 3.528 50 0 EHAAMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000152655291 564112352 /nfs/dbraw/zinc/11/23/52/564112352.db2.gz QQMPODHHCKTDKT-YPMHNXCESA-N 1 1 332.473 3.654 50 0 EHAAMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000152655291 564112353 /nfs/dbraw/zinc/11/23/53/564112353.db2.gz QQMPODHHCKTDKT-YPMHNXCESA-N 1 1 332.473 3.654 50 0 EHAAMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](C)Cn3ccnc3C)C2)cc1 ZINC000089735527 564113452 /nfs/dbraw/zinc/11/34/52/564113452.db2.gz VKEKHRYWWSAWLS-JTDSTZFVSA-N 1 1 327.472 3.714 50 0 EHAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cs1 ZINC000076059652 564115127 /nfs/dbraw/zinc/11/51/27/564115127.db2.gz YRMTYHNPUOXCOL-JTQLQIEISA-N 1 1 330.379 3.573 50 0 EHAAMO Cc1nc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cs1 ZINC000076059652 564115128 /nfs/dbraw/zinc/11/51/28/564115128.db2.gz YRMTYHNPUOXCOL-JTQLQIEISA-N 1 1 330.379 3.573 50 0 EHAAMO CC[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1SC)c1ccccc1 ZINC000076089922 564115631 /nfs/dbraw/zinc/11/56/31/564115631.db2.gz OGFANUUYNQTQGY-NXHRZFHOSA-N 1 1 334.529 3.512 50 0 EHAAMO COc1cc(F)cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000252584432 564120806 /nfs/dbraw/zinc/12/08/06/564120806.db2.gz AJUZAFKKMUURQP-AUUYWEPGSA-N 1 1 329.419 3.552 50 0 EHAAMO COc1cccc(NC(=S)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000066008612 564123197 /nfs/dbraw/zinc/12/31/97/564123197.db2.gz VUNGYBRELNFPSO-UXLLHSPISA-N 1 1 347.528 3.729 50 0 EHAAMO CC(C)c1csc([C@H]2CCC[N@H+](Cc3ncnn3C(C)(C)C)C2)n1 ZINC000253392581 564130474 /nfs/dbraw/zinc/13/04/74/564130474.db2.gz RCYGMQSITFGWQL-AWEZNQCLSA-N 1 1 347.532 3.993 50 0 EHAAMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ncnn3C(C)(C)C)C2)n1 ZINC000253392581 564130475 /nfs/dbraw/zinc/13/04/75/564130475.db2.gz RCYGMQSITFGWQL-AWEZNQCLSA-N 1 1 347.532 3.993 50 0 EHAAMO Cc1c[nH]c([C@H](C)n2cnc3sc(-c4ccccc4)cc3c2=O)[nH+]1 ZINC000584885658 564131471 /nfs/dbraw/zinc/13/14/71/564131471.db2.gz PFHIHNYZJJTMJR-LBPRGKRZSA-N 1 1 336.420 3.766 50 0 EHAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)[nH+]1 ZINC000584895346 564131649 /nfs/dbraw/zinc/13/16/49/564131649.db2.gz QXTHHABYIMCIGS-UHFFFAOYSA-N 1 1 346.434 3.893 50 0 EHAAMO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000107138787 564132635 /nfs/dbraw/zinc/13/26/35/564132635.db2.gz JFRSRINCEVTWCK-SMDDNHRTSA-N 1 1 334.847 3.949 50 0 EHAAMO Cc1occc1C(=O)NC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000093009854 564136888 /nfs/dbraw/zinc/13/68/88/564136888.db2.gz NZRDZKWRJFZHNP-UHFFFAOYSA-N 1 1 347.484 3.562 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000078814253 564137219 /nfs/dbraw/zinc/13/72/19/564137219.db2.gz LDURFSSIFHAFNK-KDOFPFPSSA-N 1 1 341.430 3.746 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000078814253 564137220 /nfs/dbraw/zinc/13/72/20/564137220.db2.gz LDURFSSIFHAFNK-KDOFPFPSSA-N 1 1 341.430 3.746 50 0 EHAAMO COc1ncccc1C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000390833497 564138824 /nfs/dbraw/zinc/13/88/24/564138824.db2.gz IHQXFPNZBPJYJQ-ROUUACIJSA-N 1 1 330.403 3.581 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H](c1cc2ccccc2o1)C1CC1 ZINC000095394965 564139432 /nfs/dbraw/zinc/13/94/32/564139432.db2.gz AIUAJTHNZXYZLW-FQEVSTJZSA-N 1 1 337.423 3.985 50 0 EHAAMO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1F ZINC000095422493 564140117 /nfs/dbraw/zinc/14/01/17/564140117.db2.gz WZVMTGTVYAYSBH-ZDUSSCGKSA-N 1 1 334.410 3.886 50 0 EHAAMO Fc1cccc(C[NH2+][C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1 ZINC000096002740 564144408 /nfs/dbraw/zinc/14/44/08/564144408.db2.gz YGJDBTOLRARGIM-CQSZACIVSA-N 1 1 327.325 3.752 50 0 EHAAMO Fc1ccc(C[NH2+][C@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 ZINC000096002745 564144414 /nfs/dbraw/zinc/14/44/14/564144414.db2.gz DOULPERSZXGCKF-AWEZNQCLSA-N 1 1 327.325 3.752 50 0 EHAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000096012793 564144750 /nfs/dbraw/zinc/14/47/50/564144750.db2.gz CJUATAKIBQBBEQ-DOTOQJQBSA-N 1 1 334.423 3.757 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNc1ncccc1-c1nnc(-c2ccccc2)o1 ZINC000096338973 564146805 /nfs/dbraw/zinc/14/68/05/564146805.db2.gz MROMVFYPJXZZBR-INIZCTEOSA-N 1 1 349.438 3.695 50 0 EHAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000096433651 564148002 /nfs/dbraw/zinc/14/80/02/564148002.db2.gz GTADGBPXXBLSAX-INIZCTEOSA-N 1 1 344.484 3.519 50 0 EHAAMO Cc1nc(C)c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000096445682 564148187 /nfs/dbraw/zinc/14/81/87/564148187.db2.gz OBUNFITZGPMXKC-UHFFFAOYSA-N 1 1 339.505 3.591 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cnc(C)nc1C)O[C@H](C)C2 ZINC000096476427 564148424 /nfs/dbraw/zinc/14/84/24/564148424.db2.gz RIKAGEOMYRGBAV-OLZOCXBDSA-N 1 1 341.455 3.666 50 0 EHAAMO CCC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@@H]1CCc2ccccc2C1 ZINC000067459942 564165954 /nfs/dbraw/zinc/16/59/54/564165954.db2.gz LJCVAJMIMWLGHE-GOSISDBHSA-N 1 1 348.450 3.901 50 0 EHAAMO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169049 /nfs/dbraw/zinc/16/90/49/564169049.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 1 1 342.462 3.597 50 0 EHAAMO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169050 /nfs/dbraw/zinc/16/90/50/564169050.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 1 1 342.462 3.597 50 0 EHAAMO C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000069491463 564169909 /nfs/dbraw/zinc/16/99/09/564169909.db2.gz MXHYBCGJPJFMNM-XQQFMLRXSA-N 1 1 328.378 3.583 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069632212 564171104 /nfs/dbraw/zinc/17/11/04/564171104.db2.gz PSBRWXBUYYSRKT-SOUVJXGZSA-N 1 1 343.393 3.724 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069632206 564171132 /nfs/dbraw/zinc/17/11/32/564171132.db2.gz PSBRWXBUYYSRKT-QLFBSQMISA-N 1 1 343.393 3.724 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000071870805 564176196 /nfs/dbraw/zinc/17/61/96/564176196.db2.gz HMTXYBHJLJTTJE-OAHLLOKOSA-N 1 1 347.409 3.520 50 0 EHAAMO CC(=O)Nc1ccc(Cl)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000074249633 564176452 /nfs/dbraw/zinc/17/64/52/564176452.db2.gz ATMGEAVWEOICII-UHFFFAOYSA-N 1 1 348.834 3.647 50 0 EHAAMO c1ccc(COc2cccc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)c2)nc1 ZINC000110701909 568417738 /nfs/dbraw/zinc/41/77/38/568417738.db2.gz AGLVPLDYYMJADS-GHTZIAJQSA-N 1 1 338.451 3.662 50 0 EHAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000169781499 1032645386 /nfs/dbraw/zinc/64/53/86/1032645386.db2.gz IFMSJBVTCFWARD-MRXNPFEDSA-N 1 1 338.854 3.560 50 0 EHAAMO Cc1cnc(C[C@H]2CCC[N@@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788074 1032652205 /nfs/dbraw/zinc/65/22/05/1032652205.db2.gz TWNHZGPOBJHDGS-MRXNPFEDSA-N 1 1 332.517 3.992 50 0 EHAAMO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000289776422 1020099501 /nfs/dbraw/zinc/09/95/01/1020099501.db2.gz XVRADPHENKDEMS-QGZVFWFLSA-N 1 1 344.459 3.546 50 0 EHAAMO c1ccc(-c2ccc(N3CCC([N@@H+]4CCCNCC4)CC3)cc2)cc1 ZINC000199438759 1026375550 /nfs/dbraw/zinc/37/55/50/1026375550.db2.gz OAJIRWLSUIKGPD-UHFFFAOYSA-N 1 1 335.495 3.618 50 0 EHAAMO c1ccc(-c2ccc(N3CCC([N@H+]4CCCNCC4)CC3)cc2)cc1 ZINC000199438759 1026375562 /nfs/dbraw/zinc/37/55/62/1026375562.db2.gz OAJIRWLSUIKGPD-UHFFFAOYSA-N 1 1 335.495 3.618 50 0 EHAAMO O=C(Nc1ccccc1Oc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171886488 1034703271 /nfs/dbraw/zinc/70/32/71/1034703271.db2.gz AIWZCMBTNDGEPZ-INIZCTEOSA-N 1 1 337.423 3.791 50 0 EHAAMO CC(C)n1cc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)nn1 ZINC000347866618 1039428164 /nfs/dbraw/zinc/42/81/64/1039428164.db2.gz ODRLSZBJGIRAEJ-UHFFFAOYSA-N 1 1 341.434 3.859 50 0 EHAAMO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1nnc2n1CCCC2 ZINC000527863041 1127602011 /nfs/dbraw/zinc/60/20/11/1127602011.db2.gz IQXGXLNEZVWHIW-BMIGLBTASA-N 1 1 334.826 3.745 50 0 EHAAMO CC[C@@H](O)C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000179947870 1123904914 /nfs/dbraw/zinc/90/49/14/1123904914.db2.gz ZEDYSMGWLYPGOM-HXUWFJFHSA-N 1 1 335.451 3.850 50 0 EHAAMO CC[C@@H](O)C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000179947870 1123904924 /nfs/dbraw/zinc/90/49/24/1123904924.db2.gz ZEDYSMGWLYPGOM-HXUWFJFHSA-N 1 1 335.451 3.850 50 0 EHAAMO CC[C@@H](O)C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000179947870 1123904927 /nfs/dbraw/zinc/90/49/27/1123904927.db2.gz ZEDYSMGWLYPGOM-HXUWFJFHSA-N 1 1 335.451 3.850 50 0 EHAAMO CSCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000012302731 1129507331 /nfs/dbraw/zinc/50/73/31/1129507331.db2.gz DWIPVBKOCVTIQB-HXUWFJFHSA-N 1 1 346.540 3.563 50 0 EHAAMO CC(=O)Nc1ccc2nc(C[N@@H+](C)CCC[C@@H]3CCCO3)ccc2c1 ZINC000823709307 1131080101 /nfs/dbraw/zinc/08/01/01/1131080101.db2.gz VXWVTKDZTFFFHV-LJQANCHMSA-N 1 1 341.455 3.584 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@H](n3c(C)cnc3C3CC3)C2)c1 ZINC000575544691 1131568344 /nfs/dbraw/zinc/56/83/44/1131568344.db2.gz ALRGZUHYOINNKC-SFHVURJKSA-N 1 1 325.456 3.915 50 0 EHAAMO COCc1ncc(C)n1C[C@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575547982 1131572348 /nfs/dbraw/zinc/57/23/48/1131572348.db2.gz DBGBKKJLRVZUFI-INIZCTEOSA-N 1 1 333.501 3.620 50 0 EHAAMO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000581807587 1132368987 /nfs/dbraw/zinc/36/89/87/1132368987.db2.gz OUKKNBOHBQKZST-HXUWFJFHSA-N 1 1 347.466 3.794 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000581815395 1132372037 /nfs/dbraw/zinc/37/20/37/1132372037.db2.gz BCCBFYBXWKJQEI-AWEZNQCLSA-N 1 1 330.407 3.762 50 0 EHAAMO CCSc1ccccc1NC(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000952869973 1137482910 /nfs/dbraw/zinc/48/29/10/1137482910.db2.gz RTCXGUWAYTZPBM-HNNXBMFYSA-N 1 1 348.512 3.628 50 0 EHAAMO CC/C=C(/CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1)c1ccccc1 ZINC000952862739 1137482921 /nfs/dbraw/zinc/48/29/21/1137482921.db2.gz QETZBHUXANWBJB-XTHAEVHISA-N 1 1 330.516 3.505 50 0 EHAAMO Cc1nc([C@H](C)[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)no1 ZINC000952961818 1137483808 /nfs/dbraw/zinc/48/38/08/1137483808.db2.gz KABVLTFMDWUFRU-KLOIUYPJSA-N 1 1 343.471 3.982 50 0 EHAAMO CC[N@@H+]1CCCC[C@H]1CNCc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971441 1137484251 /nfs/dbraw/zinc/48/42/51/1137484251.db2.gz OIGVKRGCELWCBC-INIZCTEOSA-N 1 1 333.863 3.558 50 0 EHAAMO CC[N@H+]1CCCC[C@H]1CNCc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971441 1137484252 /nfs/dbraw/zinc/48/42/52/1137484252.db2.gz OIGVKRGCELWCBC-INIZCTEOSA-N 1 1 333.863 3.558 50 0 EHAAMO Cc1ccc2cc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c(=O)[nH]c2c1 ZINC000952987619 1137485509 /nfs/dbraw/zinc/48/55/09/1137485509.db2.gz OUJOETKXAYOFAS-HXUWFJFHSA-N 1 1 334.419 3.822 50 0 EHAAMO Cc1ccc2cc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c(=O)[nH]c2c1 ZINC000952987619 1137485510 /nfs/dbraw/zinc/48/55/10/1137485510.db2.gz OUJOETKXAYOFAS-HXUWFJFHSA-N 1 1 334.419 3.822 50 0 EHAAMO Cc1cc(C)nc(C[N@H+](C)Cc2ccc(OC(C)C)c(CO)c2)c1 ZINC000952985466 1137485530 /nfs/dbraw/zinc/48/55/30/1137485530.db2.gz WAIZVDBGOFZBAX-UHFFFAOYSA-N 1 1 328.456 3.610 50 0 EHAAMO c1nc(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)no1 ZINC000097698835 219049623 /nfs/dbraw/zinc/04/96/23/219049623.db2.gz OOUFYNVIGNIGLS-UHFFFAOYSA-N 1 1 326.425 3.573 50 0 EHAAMO CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000055325961 214307924 /nfs/dbraw/zinc/30/79/24/214307924.db2.gz CCBLHORCPAYQJO-AWEZNQCLSA-N 1 1 325.416 3.506 50 0 EHAAMO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000049581054 214019961 /nfs/dbraw/zinc/01/99/61/214019961.db2.gz WPPKBFMJHHQQOA-LLVKDONJSA-N 1 1 347.340 3.793 50 0 EHAAMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000003870333 210082190 /nfs/dbraw/zinc/08/21/90/210082190.db2.gz XFTVOHWWEQGXLS-OAHLLOKOSA-N 1 1 332.241 3.775 50 0 investigational EHAAMO COCC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccccc1 ZINC000003453800 210044069 /nfs/dbraw/zinc/04/40/69/210044069.db2.gz FLDLYULBRSEHJR-UHFFFAOYSA-N 1 1 346.858 3.736 50 0 EHAAMO COCC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccccc1 ZINC000003453800 210044071 /nfs/dbraw/zinc/04/40/71/210044071.db2.gz FLDLYULBRSEHJR-UHFFFAOYSA-N 1 1 346.858 3.736 50 0 EHAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000003332959 210010516 /nfs/dbraw/zinc/01/05/16/210010516.db2.gz ZNYGHQFYGQIADJ-HNNXBMFYSA-N 1 1 340.492 3.818 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000003332959 210010518 /nfs/dbraw/zinc/01/05/18/210010518.db2.gz ZNYGHQFYGQIADJ-HNNXBMFYSA-N 1 1 340.492 3.818 50 0 EHAAMO CCCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000067447233 215147061 /nfs/dbraw/zinc/14/70/61/215147061.db2.gz DVZZZIBJKFTFON-NRFANRHFSA-N 1 1 328.500 3.918 50 0 EHAAMO Cc1c(C[N@H+](C)CCC(=O)N2CCC[C@@H](C)C2)[nH]c2ccccc12 ZINC000067605434 215167356 /nfs/dbraw/zinc/16/73/56/215167356.db2.gz COEUAWMBKSGHLS-OAHLLOKOSA-N 1 1 327.472 3.557 50 0 EHAAMO CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1C)C1=CC[N@@H+](C)CC1 ZINC000067820648 215221228 /nfs/dbraw/zinc/22/12/28/215221228.db2.gz HMKFCJRNVXCMSB-MRXNPFEDSA-N 1 1 340.389 3.784 50 0 EHAAMO Cn1ncc2cc(NC(=O)c3cccc(C[N@@H+]4CC=CCC4)c3)ccc21 ZINC000067855973 215232912 /nfs/dbraw/zinc/23/29/12/215232912.db2.gz QPJZTDFWOILLKC-UHFFFAOYSA-N 1 1 346.434 3.588 50 0 EHAAMO COc1cc(OC)cc([C@@H]2c3[nH]cnc3CC[N@@H+]2CC2CCCC2)c1 ZINC000067855733 215233905 /nfs/dbraw/zinc/23/39/05/215233905.db2.gz MDDFPZYZRKSTIO-HXUWFJFHSA-N 1 1 341.455 3.565 50 0 EHAAMO C[C@H](O)C[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067872675 215237171 /nfs/dbraw/zinc/23/71/71/215237171.db2.gz FKRSIJKMIDVRIN-HNNXBMFYSA-N 1 1 334.419 3.748 50 0 EHAAMO COc1ccc(-c2nc(C[NH+]3CCC(F)CC3)c(C)o2)c(OC)c1C ZINC000067947685 215256677 /nfs/dbraw/zinc/25/66/77/215256677.db2.gz WVRQWKVXBZBRSU-UHFFFAOYSA-N 1 1 348.418 3.910 50 0 EHAAMO C[N@H+]1CCC=C(CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000067954945 215259317 /nfs/dbraw/zinc/25/93/17/215259317.db2.gz BEKOYADSHKJQPD-UHFFFAOYSA-N 1 1 338.373 3.572 50 0 EHAAMO COCc1ccccc1C(=O)Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC000068101067 215276910 /nfs/dbraw/zinc/27/69/10/215276910.db2.gz RSQXXSUPJGFOPM-UHFFFAOYSA-N 1 1 335.407 3.639 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)OCO2 ZINC000040153565 213274785 /nfs/dbraw/zinc/27/47/85/213274785.db2.gz BKRMIOFXCDNLIO-HNNXBMFYSA-N 1 1 344.436 3.643 50 0 EHAAMO O[C@H](COCc1ccccc1)C[N@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000040007546 213250541 /nfs/dbraw/zinc/25/05/41/213250541.db2.gz MTSHBMUYWLEZSD-PXNSSMCTSA-N 1 1 343.492 3.635 50 0 EHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000039420490 213235914 /nfs/dbraw/zinc/23/59/14/213235914.db2.gz RKQFTYUTVORCIE-GOSISDBHSA-N 1 1 326.440 3.780 50 0 EHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2)cc1 ZINC000036095160 213063984 /nfs/dbraw/zinc/06/39/84/213063984.db2.gz LPYSIDKPIIRVCV-IBGZPJMESA-N 1 1 343.467 3.593 50 0 EHAAMO CSCc1noc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)n1 ZINC000072154810 216043089 /nfs/dbraw/zinc/04/30/89/216043089.db2.gz VJDWPMUMNUQPTH-HNNXBMFYSA-N 1 1 347.484 3.626 50 0 EHAAMO CSCc1noc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)n1 ZINC000072154810 216043092 /nfs/dbraw/zinc/04/30/92/216043092.db2.gz VJDWPMUMNUQPTH-HNNXBMFYSA-N 1 1 347.484 3.626 50 0 EHAAMO Clc1ccccc1OC1CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000072155959 216045802 /nfs/dbraw/zinc/04/58/02/216045802.db2.gz RGCORGNDBQVVLK-MAUKXSAKSA-N 1 1 334.891 3.668 50 0 EHAAMO C[N@@H+](Cc1cnc(-c2ccco2)nc1)Cc1cccc2ncccc12 ZINC000072165247 216053823 /nfs/dbraw/zinc/05/38/23/216053823.db2.gz QGPDVAALMJHRNZ-UHFFFAOYSA-N 1 1 330.391 3.917 50 0 EHAAMO CCOc1cc(C)c(C[N@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1C(C)C ZINC000072453579 216240827 /nfs/dbraw/zinc/24/08/27/216240827.db2.gz QYUOCGFFBRAXLL-HXUWFJFHSA-N 1 1 346.471 3.544 50 0 EHAAMO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)cs1 ZINC000072480483 216259965 /nfs/dbraw/zinc/25/99/65/216259965.db2.gz AQQUNLDDZJZOOL-MRXNPFEDSA-N 1 1 343.448 3.630 50 0 EHAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)cs1 ZINC000072480483 216259967 /nfs/dbraw/zinc/25/99/67/216259967.db2.gz AQQUNLDDZJZOOL-MRXNPFEDSA-N 1 1 343.448 3.630 50 0 EHAAMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837636 216314855 /nfs/dbraw/zinc/31/48/55/216314855.db2.gz WRQZTGILGDQVEO-GJZGRUSLSA-N 1 1 335.448 3.982 50 0 EHAAMO C[N@H+](Cc1ccc(F)c(Br)c1)C[C@H](O)c1ccccc1 ZINC000023280982 212366776 /nfs/dbraw/zinc/36/67/76/212366776.db2.gz UCOVVUJHUBIZDM-INIZCTEOSA-N 1 1 338.220 3.754 50 0 EHAAMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1OC ZINC000022786838 212325671 /nfs/dbraw/zinc/32/56/71/212325671.db2.gz JIPXGPBTPJVKJJ-NSHDSACASA-N 1 1 337.366 3.841 50 0 EHAAMO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc(OC)c1OC ZINC000022786820 212325522 /nfs/dbraw/zinc/32/55/22/212325522.db2.gz MUJDGEXBVQBVGD-LLVKDONJSA-N 1 1 337.366 3.841 50 0 EHAAMO COc1cc(OC)c(C[NH+]2CCC([C@@H](O)C(C)C)CC2)cc1Cl ZINC000215130174 241108930 /nfs/dbraw/zinc/10/89/30/241108930.db2.gz SEQFGJRBLLSDNG-SFHVURJKSA-N 1 1 341.879 3.586 50 0 EHAAMO Cc1ccc(C[N@H+](C)CCN2CCCCC2=O)c(Cl)c1Cl ZINC000215193204 241110855 /nfs/dbraw/zinc/11/08/55/241110855.db2.gz XFPGFOHINVBUJM-UHFFFAOYSA-N 1 1 329.271 3.746 50 0 EHAAMO Cc1ccc(C[N@@H+](C)CCN2CCCCC2=O)c(Cl)c1Cl ZINC000215193204 241110860 /nfs/dbraw/zinc/11/08/60/241110860.db2.gz XFPGFOHINVBUJM-UHFFFAOYSA-N 1 1 329.271 3.746 50 0 EHAAMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000215347488 241119314 /nfs/dbraw/zinc/11/93/14/241119314.db2.gz GLFUWDGUYLBILT-HNNXBMFYSA-N 1 1 342.414 3.673 50 0 EHAAMO COCC[N@H+](Cc1oc2ccccc2c1C)Cc1c(C)nn(C)c1C ZINC000216474042 241196436 /nfs/dbraw/zinc/19/64/36/241196436.db2.gz ASJBPQCNBJGKFT-UHFFFAOYSA-N 1 1 341.455 3.740 50 0 EHAAMO COCC[N@@H+](Cc1oc2ccccc2c1C)Cc1c(C)nn(C)c1C ZINC000216474042 241196441 /nfs/dbraw/zinc/19/64/41/241196441.db2.gz ASJBPQCNBJGKFT-UHFFFAOYSA-N 1 1 341.455 3.740 50 0 EHAAMO c1nnc([C@@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000215565972 241131753 /nfs/dbraw/zinc/13/17/53/241131753.db2.gz BDHVQGKNDWWYSY-MRXNPFEDSA-N 1 1 326.444 3.506 50 0 EHAAMO CCCO[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000215616742 241133580 /nfs/dbraw/zinc/13/35/80/241133580.db2.gz RNSXRDCQVBAYFJ-IBGZPJMESA-N 1 1 341.455 3.543 50 0 EHAAMO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021898620 212260742 /nfs/dbraw/zinc/26/07/42/212260742.db2.gz QBUMKQMUKLULSM-YLJYHZDGSA-N 1 1 334.463 3.576 50 0 EHAAMO OCC[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CCSCC1 ZINC000225520063 241909963 /nfs/dbraw/zinc/90/99/63/241909963.db2.gz ZVCXHFSPOIDNMC-UHFFFAOYSA-N 1 1 336.888 3.578 50 0 EHAAMO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000229282137 242155314 /nfs/dbraw/zinc/15/53/14/242155314.db2.gz SZHYDZNPBGKIPL-CHWSQXEVSA-N 1 1 326.400 3.714 50 0 EHAAMO CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000229282137 242155319 /nfs/dbraw/zinc/15/53/19/242155319.db2.gz SZHYDZNPBGKIPL-CHWSQXEVSA-N 1 1 326.400 3.714 50 0 EHAAMO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000229624649 242186676 /nfs/dbraw/zinc/18/66/76/242186676.db2.gz URRAZDDREZGNDJ-GXTWGEPZSA-N 1 1 337.427 3.764 50 0 EHAAMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000229624649 242186680 /nfs/dbraw/zinc/18/66/80/242186680.db2.gz URRAZDDREZGNDJ-GXTWGEPZSA-N 1 1 337.427 3.764 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000229813771 242203459 /nfs/dbraw/zinc/20/34/59/242203459.db2.gz LDURFSSIFHAFNK-KBXCAEBGSA-N 1 1 341.430 3.746 50 0 EHAAMO CC(=O)c1c(F)cccc1N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000229813771 242203463 /nfs/dbraw/zinc/20/34/63/242203463.db2.gz LDURFSSIFHAFNK-KBXCAEBGSA-N 1 1 341.430 3.746 50 0 EHAAMO Cc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1cccs1 ZINC000230134412 242237511 /nfs/dbraw/zinc/23/75/11/242237511.db2.gz QWCOJHPPWYMUAL-HUUCEWRRSA-N 1 1 329.469 3.523 50 0 EHAAMO Cc1cc(C)c([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000133159285 223392600 /nfs/dbraw/zinc/39/26/00/223392600.db2.gz BCNBZUKKZNZDKJ-MOPGFXCFSA-N 1 1 330.516 3.763 50 0 EHAAMO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1C ZINC000133159285 223392602 /nfs/dbraw/zinc/39/26/02/223392602.db2.gz BCNBZUKKZNZDKJ-MOPGFXCFSA-N 1 1 330.516 3.763 50 0 EHAAMO COCC[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc(F)cc1 ZINC000244718832 243068003 /nfs/dbraw/zinc/06/80/03/243068003.db2.gz LRPKCQWTBFCPNF-UHFFFAOYSA-N 1 1 341.386 3.524 50 0 EHAAMO COCC[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc(F)cc1 ZINC000244718832 243068008 /nfs/dbraw/zinc/06/80/08/243068008.db2.gz LRPKCQWTBFCPNF-UHFFFAOYSA-N 1 1 341.386 3.524 50 0 EHAAMO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC000244742153 243071763 /nfs/dbraw/zinc/07/17/63/243071763.db2.gz OCRLNGPJRXLOLP-SFHVURJKSA-N 1 1 347.418 3.832 50 0 EHAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522521 212143596 /nfs/dbraw/zinc/14/35/96/212143596.db2.gz ZRSDEVBLESMGEA-UHFFFAOYSA-N 1 1 347.821 3.829 50 0 EHAAMO Fc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1F ZINC000019805703 212071233 /nfs/dbraw/zinc/07/12/33/212071233.db2.gz YMFUKNNKTMFBMH-QPJJXVBHSA-N 1 1 328.406 3.796 50 0 EHAAMO CC(C)c1cccc(C(C)C)c1OCCOCC[NH+]1CCN(C)CC1 ZINC000019792390 212067849 /nfs/dbraw/zinc/06/78/49/212067849.db2.gz AEPBEZWBQXDKOS-UHFFFAOYSA-N 1 1 348.531 3.576 50 0 EHAAMO CC(C)n1c(=O)c2ccccc2nc1SCC[C@H]1CCCC[N@H+]1C ZINC000049710921 214028934 /nfs/dbraw/zinc/02/89/34/214028934.db2.gz XOVRBEZXJRCPCF-OAHLLOKOSA-N 1 1 345.512 3.944 50 0 EHAAMO c1cc(C2CCCC2)sc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019225603 212007556 /nfs/dbraw/zinc/00/75/56/212007556.db2.gz QLQUJIKZMHWSTQ-KRWDZBQOSA-N 1 1 334.529 3.702 50 0 EHAAMO CCn1nc(C)c(C[NH2+]Cc2sccc2Br)c1C ZINC000078553383 217075456 /nfs/dbraw/zinc/07/54/56/217075456.db2.gz GLLGNOFCTPIYBG-UHFFFAOYSA-N 1 1 328.279 3.634 50 0 EHAAMO Cc1csc(C(C)(C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)n1 ZINC000078950077 217156007 /nfs/dbraw/zinc/15/60/07/217156007.db2.gz VMSJVHKBSRWVER-KRWDZBQOSA-N 1 1 343.496 3.544 50 0 EHAAMO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cnn1-c1ccccc1 ZINC000012458432 211388800 /nfs/dbraw/zinc/38/88/00/211388800.db2.gz QRZIIEBZILRACV-CQSZACIVSA-N 1 1 335.407 3.760 50 0 EHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000012434866 211379297 /nfs/dbraw/zinc/37/92/97/211379297.db2.gz ZOXITHPKYIFOSD-KRWDZBQOSA-N 1 1 326.465 3.898 50 0 EHAAMO CC[N@@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@@H]1CCCO1 ZINC000012092915 211289908 /nfs/dbraw/zinc/28/99/08/211289908.db2.gz UXHSGAHRGWGATL-HNNXBMFYSA-N 1 1 348.418 3.799 50 0 EHAAMO CC[N@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@@H]1CCCO1 ZINC000012092915 211289911 /nfs/dbraw/zinc/28/99/11/211289911.db2.gz UXHSGAHRGWGATL-HNNXBMFYSA-N 1 1 348.418 3.799 50 0 EHAAMO C[N@H+]1CCC[C@@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000091444477 218006621 /nfs/dbraw/zinc/00/66/21/218006621.db2.gz HPQFGDWSUMWUGK-ZDUSSCGKSA-N 1 1 338.377 3.561 50 0 EHAAMO COc1ccccc1C[N@H+]1CCC[C@H](C(=O)c2ccccc2OC)C1 ZINC000011816406 211250892 /nfs/dbraw/zinc/25/08/92/211250892.db2.gz GGOPXJDIHLBUFA-KRWDZBQOSA-N 1 1 339.435 3.799 50 0 EHAAMO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@H+](C1CCCC1)C2 ZINC000011844115 211256106 /nfs/dbraw/zinc/25/61/06/211256106.db2.gz RCEBQBSJLHDSMD-FQEVSTJZSA-N 1 1 330.447 3.583 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)oc2C)C1 ZINC000011843430 211256147 /nfs/dbraw/zinc/25/61/47/211256147.db2.gz ZCIHCYBFYBAMBB-AWEZNQCLSA-N 1 1 346.402 3.564 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)oc2C)C1 ZINC000011843430 211256150 /nfs/dbraw/zinc/25/61/50/211256150.db2.gz ZCIHCYBFYBAMBB-AWEZNQCLSA-N 1 1 346.402 3.564 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)s1 ZINC000091820381 218072206 /nfs/dbraw/zinc/07/22/06/218072206.db2.gz CBTZESFNEPYFMO-ZWKOTPCHSA-N 1 1 340.492 3.680 50 0 EHAAMO CNc1cc[nH+]c(N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 ZINC000091965036 218095512 /nfs/dbraw/zinc/09/55/12/218095512.db2.gz CIMHQQGOLVYPDU-QGZVFWFLSA-N 1 1 348.454 3.810 50 0 EHAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000010226398 211155872 /nfs/dbraw/zinc/15/58/72/211155872.db2.gz UOZWYOWXGOBMES-LJQANCHMSA-N 1 1 342.414 3.918 50 0 EHAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000010226398 211155876 /nfs/dbraw/zinc/15/58/76/211155876.db2.gz UOZWYOWXGOBMES-LJQANCHMSA-N 1 1 342.414 3.918 50 0 EHAAMO Cc1nc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000095423523 218366094 /nfs/dbraw/zinc/36/60/94/218366094.db2.gz RQGCFWVSNPUPSO-GFCCVEGCSA-N 1 1 331.441 3.567 50 0 EHAAMO C[S@](=O)c1ccc(NC2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000097080865 218941488 /nfs/dbraw/zinc/94/14/88/218941488.db2.gz QYIUCJYIVFHRCL-XMMPIXPASA-N 1 1 346.471 3.640 50 0 EHAAMO COc1cc(C[N@@H+](C)C2CCCCC2)cc(Br)c1O ZINC000004987305 210351724 /nfs/dbraw/zinc/35/17/24/210351724.db2.gz LKXXZYLXYFFFGN-UHFFFAOYSA-N 1 1 328.250 3.928 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000075163862 257849115 /nfs/dbraw/zinc/84/91/15/257849115.db2.gz LARLWRYOHFPFBN-UHFFFAOYSA-N 1 1 348.193 3.530 50 0 EHAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCC1(c2ccccc2F)CCCC1 ZINC000299780023 258088965 /nfs/dbraw/zinc/08/89/65/258088965.db2.gz JITTXDZQNFIMAR-SFHVURJKSA-N 1 1 332.463 3.628 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)o1 ZINC000013593786 258056074 /nfs/dbraw/zinc/05/60/74/258056074.db2.gz WTFRSJGZJMQJSC-NRFANRHFSA-N 1 1 343.467 3.552 50 0 EHAAMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c1 ZINC000123716543 222322919 /nfs/dbraw/zinc/32/29/19/222322919.db2.gz ZKXVSSNIBRWKRZ-IAGOWNOFSA-N 1 1 332.407 3.626 50 0 EHAAMO CC(C)c1nccc(C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000215732108 534904869 /nfs/dbraw/zinc/90/48/69/534904869.db2.gz PVUCVQBCOWRHIF-CQSZACIVSA-N 1 1 327.428 3.564 50 0 EHAAMO CC(C)c1nccc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000215732108 534904879 /nfs/dbraw/zinc/90/48/79/534904879.db2.gz PVUCVQBCOWRHIF-CQSZACIVSA-N 1 1 327.428 3.564 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000253606461 536172340 /nfs/dbraw/zinc/17/23/40/536172340.db2.gz OXKFSMXXOYMZJS-SQNIBIBYSA-N 1 1 341.430 3.552 50 0 EHAAMO C[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000035828555 536404710 /nfs/dbraw/zinc/40/47/10/536404710.db2.gz HUGFPOMUYVSVON-UHFFFAOYSA-N 1 1 325.437 3.657 50 0 EHAAMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)Cc3cnccn3)o2)cc1 ZINC000215815000 536896257 /nfs/dbraw/zinc/89/62/57/536896257.db2.gz GHCMMIPSOWMTMR-OAHLLOKOSA-N 1 1 337.423 3.808 50 0 EHAAMO O=C(c1cccc(Br)c1)c1ccccc1C[NH+]1CCC1 ZINC000002515609 563437145 /nfs/dbraw/zinc/43/71/45/563437145.db2.gz QAJLESUXAPCLMH-UHFFFAOYSA-N 1 1 330.225 3.886 50 0 EHAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2ccccc2F)CC1 ZINC000004980793 563517104 /nfs/dbraw/zinc/51/71/04/563517104.db2.gz PJLJLHIMQRDWES-SOFGYWHQSA-N 1 1 326.415 3.670 50 0 EHAAMO Cc1ccc(C(=O)CN2c3cc(C)c(C)cc3N3CCC[NH+]=C23)cc1 ZINC000005394323 563531242 /nfs/dbraw/zinc/53/12/42/563531242.db2.gz RLZPCBYQQGAMOM-UHFFFAOYSA-N 1 1 333.435 3.881 50 0 EHAAMO O[C@H](C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000229912910 563662278 /nfs/dbraw/zinc/66/22/78/563662278.db2.gz JUKXMLWUCHXNJI-CZUORRHYSA-N 1 1 347.846 3.513 50 0 EHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)cc1OC ZINC000012835416 563675538 /nfs/dbraw/zinc/67/55/38/563675538.db2.gz ZFLAMQGPICWGPP-MRXNPFEDSA-N 1 1 343.423 3.700 50 0 EHAAMO COc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000013069258 563686900 /nfs/dbraw/zinc/68/69/00/563686900.db2.gz MVSWYZLZDDZALE-ZDUSSCGKSA-N 1 1 332.831 3.808 50 0 EHAAMO COc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000013069258 563686902 /nfs/dbraw/zinc/68/69/02/563686902.db2.gz MVSWYZLZDDZALE-ZDUSSCGKSA-N 1 1 332.831 3.808 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1ccsc1 ZINC000014095684 563740459 /nfs/dbraw/zinc/74/04/59/563740459.db2.gz JYTAJSUWAVDRCH-PKOBYXMFSA-N 1 1 340.492 3.824 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc3cccnc32)CC1 ZINC000014184144 563748093 /nfs/dbraw/zinc/74/80/93/563748093.db2.gz KLATYYFXYUKIMB-UHFFFAOYSA-N 1 1 345.446 3.501 50 0 EHAAMO COc1ccccc1C[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032819453 563757581 /nfs/dbraw/zinc/75/75/81/563757581.db2.gz UKBDPLUSLMWPFR-UHFFFAOYSA-N 1 1 343.452 3.871 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000014931382 563767318 /nfs/dbraw/zinc/76/73/18/563767318.db2.gz KVOKROVGJVMPPN-INIZCTEOSA-N 1 1 342.508 3.854 50 0 EHAAMO CN(Cc1ccoc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769652 /nfs/dbraw/zinc/76/96/52/563769652.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 1 1 330.447 3.805 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc(OC)c1 ZINC000015064817 563774626 /nfs/dbraw/zinc/77/46/26/563774626.db2.gz XHFDAFWPKAEORN-SFHVURJKSA-N 1 1 326.440 3.780 50 0 EHAAMO CC[N@H+](CCn1cccn1)Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000015068099 563775605 /nfs/dbraw/zinc/77/56/05/563775605.db2.gz RNPXUKIEIURCHR-UHFFFAOYSA-N 1 1 346.381 3.647 50 0 EHAAMO CC[N@@H+](CCn1cccn1)Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000015068099 563775606 /nfs/dbraw/zinc/77/56/06/563775606.db2.gz RNPXUKIEIURCHR-UHFFFAOYSA-N 1 1 346.381 3.647 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000015836934 563794425 /nfs/dbraw/zinc/79/44/25/563794425.db2.gz FFBDEUIXMGJPEB-KRWDZBQOSA-N 1 1 343.423 3.755 50 0 EHAAMO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccccc3)nc(=O)c2c1C ZINC000016444767 563811741 /nfs/dbraw/zinc/81/17/41/563811741.db2.gz CLZCNPPYFAXYFE-GFCCVEGCSA-N 1 1 327.453 3.794 50 0 EHAAMO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccccc3)nc(=O)c2c1C ZINC000016444767 563811742 /nfs/dbraw/zinc/81/17/42/563811742.db2.gz CLZCNPPYFAXYFE-GFCCVEGCSA-N 1 1 327.453 3.794 50 0 EHAAMO Cc1cc(C)n(Cc2ccc(C[N@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)n1 ZINC000019228797 563855205 /nfs/dbraw/zinc/85/52/05/563855205.db2.gz HDOLZOCFCFAGJT-HXUWFJFHSA-N 1 1 341.499 3.531 50 0 EHAAMO CCOC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+](C)C)nc1 ZINC000024054001 563868723 /nfs/dbraw/zinc/86/87/23/563868723.db2.gz BZZQNACGSSIUFS-MRXNPFEDSA-N 1 1 347.846 3.627 50 0 EHAAMO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024668033 563873841 /nfs/dbraw/zinc/87/38/41/563873841.db2.gz QDFOUAATCSOBRI-CQSZACIVSA-N 1 1 340.427 3.789 50 0 EHAAMO CC(C)Cc1noc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024668033 563873843 /nfs/dbraw/zinc/87/38/43/563873843.db2.gz QDFOUAATCSOBRI-CQSZACIVSA-N 1 1 340.427 3.789 50 0 EHAAMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000025695065 563887294 /nfs/dbraw/zinc/88/72/94/563887294.db2.gz WTXNDOWVNXQLLQ-UHFFFAOYSA-N 1 1 343.858 3.998 50 0 EHAAMO COC(=O)c1oc(C[N@H+](Cc2ccc(OC)cc2)C2CC2)cc1C ZINC000025926848 563889244 /nfs/dbraw/zinc/88/92/44/563889244.db2.gz QBYCQIOHVNCKRT-UHFFFAOYSA-N 1 1 329.396 3.548 50 0 EHAAMO COC(=O)c1oc(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)cc1C ZINC000025926848 563889248 /nfs/dbraw/zinc/88/92/48/563889248.db2.gz QBYCQIOHVNCKRT-UHFFFAOYSA-N 1 1 329.396 3.548 50 0 EHAAMO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)C(C)(C)C)n2)cc1OC ZINC000027134763 563894872 /nfs/dbraw/zinc/89/48/72/563894872.db2.gz QJJAADNDSXSWOC-GFCCVEGCSA-N 1 1 333.432 3.620 50 0 EHAAMO Cc1ccc2c(ncn(CC[C@H]3CCCC[N@@H+]3C(C)C)c2=O)c1C ZINC000032573450 563913912 /nfs/dbraw/zinc/91/39/12/563913912.db2.gz PWAVOEVOHDVBFV-QGZVFWFLSA-N 1 1 327.472 3.666 50 0 EHAAMO Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058307464 563942196 /nfs/dbraw/zinc/94/21/96/563942196.db2.gz USKIOBMZTMURJR-CQSZACIVSA-N 1 1 334.510 3.760 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000058356839 563943521 /nfs/dbraw/zinc/94/35/21/563943521.db2.gz AXSFLHRWPMICOK-JOCHJYFZSA-N 1 1 344.458 3.898 50 0 EHAAMO C[N@H+]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000058356839 563943522 /nfs/dbraw/zinc/94/35/22/563943522.db2.gz AXSFLHRWPMICOK-JOCHJYFZSA-N 1 1 344.458 3.898 50 0 EHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000096423085 563951814 /nfs/dbraw/zinc/95/18/14/563951814.db2.gz VEZHBPAPBRQEEP-MLGOLLRUSA-N 1 1 349.887 3.609 50 0 EHAAMO COCCC[N@@H+](C)Cc1ncc(-c2ccccc2Br)o1 ZINC000096424162 563951868 /nfs/dbraw/zinc/95/18/68/563951868.db2.gz NOXMGUYPBSXQQJ-UHFFFAOYSA-N 1 1 339.233 3.572 50 0 EHAAMO CCSCc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000096435253 563952413 /nfs/dbraw/zinc/95/24/13/563952413.db2.gz BLJKGNARQXHVKU-MRXNPFEDSA-N 1 1 335.517 3.745 50 0 EHAAMO Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000096494664 563955874 /nfs/dbraw/zinc/95/58/74/563955874.db2.gz JPYXSAZOAMGUHZ-KZNAEPCWSA-N 1 1 330.472 3.592 50 0 EHAAMO COc1ccccc1NC(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071416166 563964332 /nfs/dbraw/zinc/96/43/32/563964332.db2.gz ZPYMVARCELTKTJ-SFHVURJKSA-N 1 1 345.487 3.669 50 0 EHAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071589592 563964601 /nfs/dbraw/zinc/96/46/01/563964601.db2.gz RAHKHPBSLRWZOF-OAHLLOKOSA-N 1 1 333.426 3.852 50 0 EHAAMO COc1c(F)cc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)cc1F ZINC000077436295 563969620 /nfs/dbraw/zinc/96/96/20/563969620.db2.gz DJXHAIVFODAQSC-KRWDZBQOSA-N 1 1 327.415 3.592 50 0 EHAAMO Cc1ccc(C2(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)cc1 ZINC000077487341 563969981 /nfs/dbraw/zinc/96/99/81/563969981.db2.gz YPXZBUGTQYXKHG-NRFANRHFSA-N 1 1 348.490 3.542 50 0 EHAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525375 563970214 /nfs/dbraw/zinc/97/02/14/563970214.db2.gz BEEVMVBQNLGDQO-SFHVURJKSA-N 1 1 341.455 3.673 50 0 EHAAMO COc1c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(C(C)C)nn1C ZINC000058421773 563971118 /nfs/dbraw/zinc/97/11/18/563971118.db2.gz ICARQPAEXFSAEQ-INIZCTEOSA-N 1 1 347.434 3.695 50 0 EHAAMO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000082086712 563971981 /nfs/dbraw/zinc/97/19/81/563971981.db2.gz JICIJAGDFATWHG-GOSISDBHSA-N 1 1 325.456 3.571 50 0 EHAAMO CCC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1NC(C)=O ZINC000082091885 563972041 /nfs/dbraw/zinc/97/20/41/563972041.db2.gz AYFBDCYKYAPBQS-CZUORRHYSA-N 1 1 329.271 3.730 50 0 EHAAMO CCC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1NC(C)=O ZINC000082091885 563972042 /nfs/dbraw/zinc/97/20/42/563972042.db2.gz AYFBDCYKYAPBQS-CZUORRHYSA-N 1 1 329.271 3.730 50 0 EHAAMO Cc1nc(C(C)C)cc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000082096407 563972159 /nfs/dbraw/zinc/97/21/59/563972159.db2.gz BHMMTASVBVGFJA-KRWDZBQOSA-N 1 1 339.487 3.899 50 0 EHAAMO Cc1nc(C)c(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)s1 ZINC000082121457 563972482 /nfs/dbraw/zinc/97/24/82/563972482.db2.gz GTNPDDRMUPUKFO-OAHLLOKOSA-N 1 1 337.533 3.780 50 0 EHAAMO Cc1csc([C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199608 563973230 /nfs/dbraw/zinc/97/32/30/563973230.db2.gz HCUOARSEMSTFDX-INIZCTEOSA-N 1 1 325.437 3.573 50 0 EHAAMO Cc1csc([C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199608 563973231 /nfs/dbraw/zinc/97/32/31/563973231.db2.gz HCUOARSEMSTFDX-INIZCTEOSA-N 1 1 325.437 3.573 50 0 EHAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000248105847 563995169 /nfs/dbraw/zinc/99/51/69/563995169.db2.gz FUPRUKGYGLGSHD-DLBZAZTESA-N 1 1 343.858 3.587 50 0 EHAAMO CC(C)[C@H]([NH2+]Cc1nnnn1C)c1ccc(C2CCCCC2)cc1 ZINC000329383550 563996168 /nfs/dbraw/zinc/99/61/68/563996168.db2.gz OXGFHHPOQCSHTA-IBGZPJMESA-N 1 1 327.476 3.745 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005348804 564002970 /nfs/dbraw/zinc/00/29/70/564002970.db2.gz GRUUTXSLUORAFV-WOJBJXKFSA-N 1 1 332.532 3.907 50 0 EHAAMO COc1cccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000273442678 564007797 /nfs/dbraw/zinc/00/77/97/564007797.db2.gz NQAWWRVIFBTFMA-ROUUACIJSA-N 1 1 330.403 3.581 50 0 EHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977619 564028041 /nfs/dbraw/zinc/02/80/41/564028041.db2.gz VHSXTJKHVPSQFY-DZGCQCFKSA-N 1 1 332.473 3.690 50 0 EHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977619 564028042 /nfs/dbraw/zinc/02/80/42/564028042.db2.gz VHSXTJKHVPSQFY-DZGCQCFKSA-N 1 1 332.473 3.690 50 0 EHAAMO Cc1nc([C@H](C)N(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000222376944 564036840 /nfs/dbraw/zinc/03/68/40/564036840.db2.gz CYSNVXNXCYSVLP-LBPRGKRZSA-N 1 1 349.475 3.550 50 0 EHAAMO Cc1nc([C@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000222376944 564036841 /nfs/dbraw/zinc/03/68/41/564036841.db2.gz CYSNVXNXCYSVLP-LBPRGKRZSA-N 1 1 349.475 3.550 50 0 EHAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000223599038 564040423 /nfs/dbraw/zinc/04/04/23/564040423.db2.gz LBSVOEPERLNKJK-INIZCTEOSA-N 1 1 327.472 3.699 50 0 EHAAMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000252478139 564053377 /nfs/dbraw/zinc/05/33/77/564053377.db2.gz AEEAPZCDGIIUNV-SFHVURJKSA-N 1 1 339.439 3.646 50 0 EHAAMO COc1ccnc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)c1 ZINC000252503715 564053566 /nfs/dbraw/zinc/05/35/66/564053566.db2.gz VFZVKARQTXLJJK-HNNXBMFYSA-N 1 1 330.403 3.520 50 0 EHAAMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000182335313 564056085 /nfs/dbraw/zinc/05/60/85/564056085.db2.gz MMZLSBVXUDAJDE-LBPRGKRZSA-N 1 1 339.407 3.609 50 0 EHAAMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000084169757 564067151 /nfs/dbraw/zinc/06/71/51/564067151.db2.gz FZJBYCIIMLQIPF-LBPRGKRZSA-N 1 1 332.473 3.530 50 0 EHAAMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc2cccs2)c(C)c1 ZINC000012932927 564078917 /nfs/dbraw/zinc/07/89/17/564078917.db2.gz HQQDVATUIILPCT-CQSZACIVSA-N 1 1 345.468 3.534 50 0 EHAAMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc2cccs2)c(C)c1 ZINC000012932927 564078918 /nfs/dbraw/zinc/07/89/18/564078918.db2.gz HQQDVATUIILPCT-CQSZACIVSA-N 1 1 345.468 3.534 50 0 EHAAMO CO[C@]12CC[N@@H+](C/C(=C\C(C)C)c3ccccc3)[C@H]1C[C@@H](O)CC2 ZINC000426412708 564093688 /nfs/dbraw/zinc/09/36/88/564093688.db2.gz HNKSDYVOVAFCAN-CJRUGXPFSA-N 1 1 329.484 3.730 50 0 EHAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2)s1 ZINC000036100929 564096138 /nfs/dbraw/zinc/09/61/38/564096138.db2.gz TWVVKDURZAZQNI-QGZVFWFLSA-N 1 1 333.497 3.954 50 0 EHAAMO Cc1c2cc(F)ccc2oc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000007240656 564105988 /nfs/dbraw/zinc/10/59/88/564105988.db2.gz CLULGMHLMQGDJI-ZDUSSCGKSA-N 1 1 332.419 3.875 50 0 EHAAMO CCCc1noc([C@H](C)[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487739 564106354 /nfs/dbraw/zinc/10/63/54/564106354.db2.gz RKZNJJYQGWZSTJ-GJZGRUSLSA-N 1 1 339.443 3.770 50 0 EHAAMO CCCc1noc([C@H](C)[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)n1 ZINC000065487739 564106355 /nfs/dbraw/zinc/10/63/55/564106355.db2.gz RKZNJJYQGWZSTJ-GJZGRUSLSA-N 1 1 339.443 3.770 50 0 EHAAMO COc1cc(F)cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000170592493 564108888 /nfs/dbraw/zinc/10/88/88/564108888.db2.gz AJUZAFKKMUURQP-KUHUBIRLSA-N 1 1 329.419 3.552 50 0 EHAAMO CSc1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000007495517 564109201 /nfs/dbraw/zinc/10/92/01/564109201.db2.gz RPZGTMXAOGQKER-UHFFFAOYSA-N 1 1 332.513 3.847 50 0 EHAAMO CSc1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000007495517 564109202 /nfs/dbraw/zinc/10/92/02/564109202.db2.gz RPZGTMXAOGQKER-UHFFFAOYSA-N 1 1 332.513 3.847 50 0 EHAAMO C[C@H](OC[C@H](O)C[N@@H+]1CCn2cccc2[C@H]1C)c1ccc(Cl)cc1 ZINC000249522479 564111624 /nfs/dbraw/zinc/11/16/24/564111624.db2.gz OITKTIVKDVWHHD-RVKKMQEKSA-N 1 1 348.874 3.657 50 0 EHAAMO C[C@H](OC[C@H](O)C[N@H+]1CCn2cccc2[C@H]1C)c1ccc(Cl)cc1 ZINC000249522479 564111625 /nfs/dbraw/zinc/11/16/25/564111625.db2.gz OITKTIVKDVWHHD-RVKKMQEKSA-N 1 1 348.874 3.657 50 0 EHAAMO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000076094925 564115752 /nfs/dbraw/zinc/11/57/52/564115752.db2.gz RYFWCESXZLRZSE-YJBOKZPZSA-N 1 1 336.439 3.638 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2c(C)cccc2OC)C1 ZINC000195053373 564122720 /nfs/dbraw/zinc/12/27/20/564122720.db2.gz DTMBRQTXUHOUFC-OAHLLOKOSA-N 1 1 342.443 3.632 50 0 EHAAMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000253396585 564130550 /nfs/dbraw/zinc/13/05/50/564130550.db2.gz ANERHEYPLKFHOA-CXAGYDPISA-N 1 1 326.831 3.966 50 0 EHAAMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000253396585 564130551 /nfs/dbraw/zinc/13/05/51/564130551.db2.gz ANERHEYPLKFHOA-CXAGYDPISA-N 1 1 326.831 3.966 50 0 EHAAMO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCCCCCC2)n1 ZINC000013137684 564136082 /nfs/dbraw/zinc/13/60/82/564136082.db2.gz MUNNVHWLSUNKNP-UHFFFAOYSA-N 1 1 340.475 3.526 50 0 EHAAMO Cc1cc([C@H](C)[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc(C)c1F ZINC000095962421 564142781 /nfs/dbraw/zinc/14/27/81/564142781.db2.gz ONUIWNUPZLIRHO-KXBFYZLASA-N 1 1 328.431 3.923 50 0 EHAAMO CSC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000095969760 564143408 /nfs/dbraw/zinc/14/34/08/564143408.db2.gz BFSIVHGTBAEFAP-LLVKDONJSA-N 1 1 334.407 3.717 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1(c2cccs2)CCCCC1 ZINC000096414312 564147703 /nfs/dbraw/zinc/14/77/03/564147703.db2.gz QDQNIZDUFYKKRA-OAHLLOKOSA-N 1 1 332.513 3.551 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cnc(C)nc1C)O[C@H](C)C2 ZINC000096476429 564148442 /nfs/dbraw/zinc/14/84/42/564148442.db2.gz RIKAGEOMYRGBAV-CHWSQXEVSA-N 1 1 341.455 3.666 50 0 EHAAMO Cn1cc(C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)cn1 ZINC000097203086 564149575 /nfs/dbraw/zinc/14/95/75/564149575.db2.gz LFGMXMADHIOJFS-UHFFFAOYSA-N 1 1 340.402 3.594 50 0 EHAAMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccccc1Cl ZINC000057421414 564154229 /nfs/dbraw/zinc/15/42/29/564154229.db2.gz YMFKOWVDLOTCHV-KGLIPLIRSA-N 1 1 328.843 3.968 50 0 EHAAMO CCOc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H](C)CC)CC2)cc1 ZINC000003060246 564154871 /nfs/dbraw/zinc/15/48/71/564154871.db2.gz NFXMJIWGVQTVFP-HNNXBMFYSA-N 1 1 349.544 3.977 50 0 EHAAMO COc1cc(C[N@H+](C)Cc2ccc(Cl)s2)cc(OC)c1O ZINC000057717814 564155530 /nfs/dbraw/zinc/15/55/30/564155530.db2.gz ZWCJKCJFVGOEEW-UHFFFAOYSA-N 1 1 327.833 3.756 50 0 EHAAMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)cc(OC)c1O ZINC000057717814 564155531 /nfs/dbraw/zinc/15/55/31/564155531.db2.gz ZWCJKCJFVGOEEW-UHFFFAOYSA-N 1 1 327.833 3.756 50 0 EHAAMO c1ccc2oc([C@H]3CCC[N@@H+](C4CSCCSC4)C3)nc2c1 ZINC000670465978 564162364 /nfs/dbraw/zinc/16/23/64/564162364.db2.gz BZHIKALLQQEBEP-ZDUSSCGKSA-N 1 1 334.510 3.856 50 0 EHAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000008266875 564163867 /nfs/dbraw/zinc/16/38/67/564163867.db2.gz YEULFUWZDQGUGA-HRCADAONSA-N 1 1 346.471 3.501 50 0 EHAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000008266875 564163868 /nfs/dbraw/zinc/16/38/68/564163868.db2.gz YEULFUWZDQGUGA-HRCADAONSA-N 1 1 346.471 3.501 50 0 EHAAMO CCC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@H]1CCc2ccccc2C1 ZINC000067459945 564165961 /nfs/dbraw/zinc/16/59/61/564165961.db2.gz LJCVAJMIMWLGHE-SFHVURJKSA-N 1 1 348.450 3.901 50 0 EHAAMO CSc1ccccc1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000172248244 564167440 /nfs/dbraw/zinc/16/74/40/564167440.db2.gz ITAKPCIHWMFBIB-UHFFFAOYSA-N 1 1 341.480 3.511 50 0 EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1F ZINC000069460706 564169736 /nfs/dbraw/zinc/16/97/36/564169736.db2.gz BWQFVRVZCJZIKD-BEFAXECRSA-N 1 1 339.414 3.974 50 0 EHAAMO Cc1cnn([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000069511170 564169998 /nfs/dbraw/zinc/16/99/98/564169998.db2.gz SJNLBWQTPLTYRI-FRRDWIJNSA-N 1 1 331.445 3.603 50 0 EHAAMO C[C@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)c1nnc2n1CCC2 ZINC000069516080 564170084 /nfs/dbraw/zinc/17/00/84/564170084.db2.gz COSRYCKSIJOMKA-LBPRGKRZSA-N 1 1 342.443 3.943 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000069925622 564172880 /nfs/dbraw/zinc/17/28/80/564172880.db2.gz JQOIUKCELWCQCE-LLVKDONJSA-N 1 1 339.773 3.600 50 0 EHAAMO Clc1ccc2nc(C[NH2+]Cc3c[nH]nc3-c3cccs3)cn2c1 ZINC000042208123 564174788 /nfs/dbraw/zinc/17/47/88/564174788.db2.gz QXDAVNGIDQIQCX-UHFFFAOYSA-N 1 1 343.843 3.729 50 0 EHAAMO O=C(C=C1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000071846816 564175940 /nfs/dbraw/zinc/17/59/40/564175940.db2.gz YAEWUJWERVJVHE-QGZVFWFLSA-N 1 1 332.513 3.967 50 0 EHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000071870732 564176163 /nfs/dbraw/zinc/17/61/63/564176163.db2.gz MKBKBPLKVJGVAO-LBPRGKRZSA-N 1 1 335.810 3.715 50 0 EHAAMO Cc1c(C)n(C)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000006911022 568421010 /nfs/dbraw/zinc/42/10/10/568421010.db2.gz BEXMDGNQJXWHRO-HNNXBMFYSA-N 1 1 341.499 3.789 50 0 EHAAMO Cc1cc(NCc2cn(C(C)C)nn2)c[nH+]c1N1CCCC[C@H]1C ZINC000286771539 1015076599 /nfs/dbraw/zinc/07/65/99/1015076599.db2.gz IFICFPUVVTXJIZ-OAHLLOKOSA-N 1 1 328.464 3.553 50 0 EHAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078365 1017588591 /nfs/dbraw/zinc/58/85/91/1017588591.db2.gz FUTZHFNMNGFUOM-AVRDEDQJSA-N 1 1 336.479 3.934 50 0 EHAAMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C/c1cccs1 ZINC000084325917 1031453282 /nfs/dbraw/zinc/45/32/82/1031453282.db2.gz OEJDAGWFTSZUTL-VAWYXSNFSA-N 1 1 328.481 3.788 50 0 EHAAMO O=C1NCCCCCC[N@@H+](Cc2cccc3[nH]ccc32)[C@H]2CCC[C@@H]12 ZINC000257178608 1038389558 /nfs/dbraw/zinc/38/95/58/1038389558.db2.gz GQBZEKGNTOUPEQ-QUCCMNQESA-N 1 1 339.483 3.829 50 0 EHAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000530706099 1128744704 /nfs/dbraw/zinc/74/47/04/1128744704.db2.gz IGKPRDJGHBAJJB-CYBMUJFWSA-N 1 1 347.488 3.642 50 0 EHAAMO Cc1ccc(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)n1C(F)F ZINC000825285725 1131262492 /nfs/dbraw/zinc/26/24/92/1131262492.db2.gz APCIGJLUVRLYBB-UHFFFAOYSA-N 1 1 344.365 3.997 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1nc2ccccc2n1C ZINC000091314471 1124975752 /nfs/dbraw/zinc/97/57/52/1124975752.db2.gz OROOKNOAIHDTEE-CQSZACIVSA-N 1 1 336.439 3.608 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCc3sccc3C2)c1 ZINC000824628658 1131214632 /nfs/dbraw/zinc/21/46/32/1131214632.db2.gz VJDGFZWFFDMUBU-UHFFFAOYSA-N 1 1 325.437 3.501 50 0 EHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc2cc[nH]c21 ZINC000828177542 1131423762 /nfs/dbraw/zinc/42/37/62/1131423762.db2.gz OOVNRNWEYAZTIQ-OAHLLOKOSA-N 1 1 339.464 3.624 50 0 EHAAMO CCN(CC)C(=O)N1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000581802743 1132363075 /nfs/dbraw/zinc/36/30/75/1132363075.db2.gz PAQDJROXHZDZID-IBGZPJMESA-N 1 1 343.515 3.996 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000581806823 1132369479 /nfs/dbraw/zinc/36/94/79/1132369479.db2.gz ZXKFXDNENZCCRY-SFHVURJKSA-N 1 1 331.504 3.963 50 0 EHAAMO Cc1cccc(C[N@@H+](Cc2ccc(N(C)C)nc2)C[C@H]2CCCO2)c1 ZINC000952972108 1137484325 /nfs/dbraw/zinc/48/43/25/1137484325.db2.gz UWUCDBPAXBFUCE-HXUWFJFHSA-N 1 1 339.483 3.637 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000952973754 1137484495 /nfs/dbraw/zinc/48/44/95/1137484495.db2.gz YLAFSQFRLMELPC-UHFFFAOYSA-N 1 1 341.386 3.551 50 0 EHAAMO Cc1ccccc1O[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCC1)C(C)C ZINC000952989761 1137485810 /nfs/dbraw/zinc/48/58/10/1137485810.db2.gz XZZSWRBNZHDSOL-HXUWFJFHSA-N 1 1 346.515 3.731 50 0 EHAAMO Cc1ncc(C[N@@H+](C)C[C@H](O)c2cc(Cl)ccc2Cl)s1 ZINC000051408325 214091692 /nfs/dbraw/zinc/09/16/92/214091692.db2.gz FLQYEICOTFJFJF-AWEZNQCLSA-N 1 1 331.268 3.924 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3C3CCCCC3)cc(=O)n12 ZINC000053211355 214170358 /nfs/dbraw/zinc/17/03/58/214170358.db2.gz NTPDBQQHDPKQES-MRXNPFEDSA-N 1 1 331.485 3.609 50 0 EHAAMO C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc2ccccc2c1 ZINC000054153088 214220379 /nfs/dbraw/zinc/22/03/79/214220379.db2.gz IBLSWQFHURDESN-UHFFFAOYSA-N 1 1 343.430 3.751 50 0 EHAAMO CCOc1ccccc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000054703129 214250771 /nfs/dbraw/zinc/25/07/71/214250771.db2.gz YFFYSWOZVSFFPT-UHFFFAOYSA-N 1 1 340.467 3.856 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2c[nH]nc2-c2cccs2)c1 ZINC000055282584 214301851 /nfs/dbraw/zinc/30/18/51/214301851.db2.gz GVVMQXZVJJNVGK-CQSZACIVSA-N 1 1 326.469 3.905 50 0 EHAAMO COCC[N@@H+](Cc1sccc1C)Cc1ccc(NC(C)=O)cc1 ZINC000055343871 214309594 /nfs/dbraw/zinc/30/95/94/214309594.db2.gz OXSSKJNCHVWEAM-UHFFFAOYSA-N 1 1 332.469 3.664 50 0 EHAAMO CSc1ccc(C[N@@H+](CCO)Cc2c[nH]c3ccccc23)cc1 ZINC000055414990 214322456 /nfs/dbraw/zinc/32/24/56/214322456.db2.gz OSGGTZFPQCOOGL-UHFFFAOYSA-N 1 1 326.465 3.884 50 0 EHAAMO COc1cc2c(cc1OC)[C@@]1(C)CC(C)(C)[NH+]=C(SC)N1CC2 ZINC000100746623 219106015 /nfs/dbraw/zinc/10/60/15/219106015.db2.gz UFETWOZBNWDOMC-GOSISDBHSA-N 1 1 334.485 3.678 50 0 biogenic EHAAMO CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004029407 210103314 /nfs/dbraw/zinc/10/33/14/210103314.db2.gz FDKVIHKZJVBWFP-PKOBYXMFSA-N 1 1 331.456 3.895 50 0 biogenic EHAAMO c1ccc(C[N@H+]2CCC[C@H](Nc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000102547703 219209869 /nfs/dbraw/zinc/20/98/69/219209869.db2.gz BIMPKVVPGPDBDJ-SFHVURJKSA-N 1 1 345.450 3.615 50 0 EHAAMO CSc1ccc(-c2nc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)cc1 ZINC000102648853 219218421 /nfs/dbraw/zinc/21/84/21/219218421.db2.gz MZESWXMHTVJIMJ-ZSHCYNCHSA-N 1 1 344.480 3.860 50 0 EHAAMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000003423065 210036407 /nfs/dbraw/zinc/03/64/07/210036407.db2.gz JNCCZJIGYHXSMQ-AWEZNQCLSA-N 1 1 341.238 3.548 50 0 EHAAMO CCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(NC(C)=O)cc1 ZINC000067432862 215145503 /nfs/dbraw/zinc/14/55/03/215145503.db2.gz HKQXWMQZEKWVAL-LJQANCHMSA-N 1 1 326.444 3.506 50 0 EHAAMO CCCCc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(C)=O)C3)C2)s1 ZINC000067588923 215166060 /nfs/dbraw/zinc/16/60/60/215166060.db2.gz RORREGYDMLJOQR-LJQANCHMSA-N 1 1 334.529 3.925 50 0 EHAAMO COc1ccc(F)cc1C[N@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067789644 215214011 /nfs/dbraw/zinc/21/40/11/215214011.db2.gz DIQDSIDFAIXPSN-GHTZIAJQSA-N 1 1 343.442 3.650 50 0 EHAAMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC000067817336 215219251 /nfs/dbraw/zinc/21/92/51/215219251.db2.gz LUTKAVWIOPRDEK-UHFFFAOYSA-N 1 1 344.418 3.963 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000067982611 215266475 /nfs/dbraw/zinc/26/64/75/215266475.db2.gz VQTVFKMXPJMPFI-QGZVFWFLSA-N 1 1 349.478 3.911 50 0 EHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cccc2F)s1)c1ccco1 ZINC000040159644 213276219 /nfs/dbraw/zinc/27/62/19/213276219.db2.gz XOJMVGVYKUQWQB-ZDUSSCGKSA-N 1 1 332.400 3.666 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C)c3ccc(Cl)cc3)nc12 ZINC000040063177 213256969 /nfs/dbraw/zinc/25/69/69/213256969.db2.gz RYBCVOMGVBIYCD-AWEZNQCLSA-N 1 1 341.842 3.849 50 0 EHAAMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000039990571 213249302 /nfs/dbraw/zinc/24/93/02/213249302.db2.gz XWZHMPARZSMWFX-UHFFFAOYSA-N 1 1 348.233 3.633 50 0 EHAAMO O=C(CCSc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000039976174 213247842 /nfs/dbraw/zinc/24/78/42/213247842.db2.gz YTWAPUNYOIYYQX-SFHVURJKSA-N 1 1 340.492 3.560 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)NCc1cccs1)c1ccccc1Cl ZINC000038677352 213220822 /nfs/dbraw/zinc/22/08/22/213220822.db2.gz BFRORLWTTRDMFT-OAHLLOKOSA-N 1 1 337.876 3.504 50 0 EHAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000036103129 213067815 /nfs/dbraw/zinc/06/78/15/213067815.db2.gz UQJIUGWPDKVEEY-GOSISDBHSA-N 1 1 329.415 3.538 50 0 EHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103328 213067208 /nfs/dbraw/zinc/06/72/08/213067208.db2.gz LUTRVOUZFUNCSZ-SFHVURJKSA-N 1 1 333.497 3.784 50 0 EHAAMO CC(C)C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036095369 213063308 /nfs/dbraw/zinc/06/33/08/213063308.db2.gz RTKULHMGPRYKGG-IBGZPJMESA-N 1 1 331.431 3.724 50 0 EHAAMO CCC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000036030891 213056508 /nfs/dbraw/zinc/05/65/08/213056508.db2.gz NPFLNQGHROXWSL-SFHVURJKSA-N 1 1 331.431 3.786 50 0 EHAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072141911 216027490 /nfs/dbraw/zinc/02/74/90/216027490.db2.gz MUYLAWZHTAJNHB-SFHVURJKSA-N 1 1 326.440 3.705 50 0 EHAAMO COc1ccccc1OC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000072139060 216026513 /nfs/dbraw/zinc/02/65/13/216026513.db2.gz NSAPGCGQNMRRHH-UHFFFAOYSA-N 1 1 339.435 3.941 50 0 EHAAMO CC[C@H]1CN(Cc2cc3ccccc3nc2OC)CC[N@H+]1C(C)C ZINC000072145200 216032941 /nfs/dbraw/zinc/03/29/41/216032941.db2.gz BNNZAAYEZCWGSR-SFHVURJKSA-N 1 1 327.472 3.548 50 0 EHAAMO Fc1cc(F)cc([C@H]2C[N@@H+](CC3CCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072162172 216050171 /nfs/dbraw/zinc/05/01/71/216050171.db2.gz YXQDXKRIMAZDKK-VAMGGRTRSA-N 1 1 332.438 3.627 50 0 EHAAMO CCc1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)on1 ZINC000072157593 216047080 /nfs/dbraw/zinc/04/70/80/216047080.db2.gz OCVCZNXKVMDZDK-PCCBWWKXSA-N 1 1 340.467 3.889 50 0 EHAAMO CN(C(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072163674 216051461 /nfs/dbraw/zinc/05/14/61/216051461.db2.gz WTZDICKUHKHBDV-FQEVSTJZSA-N 1 1 349.478 3.782 50 0 EHAAMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccc(-n2cccn2)cc1 ZINC000072169495 216060451 /nfs/dbraw/zinc/06/04/51/216060451.db2.gz YQLIZYKIMXAGNI-UHFFFAOYSA-N 1 1 349.463 3.956 50 0 EHAAMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072453772 216241520 /nfs/dbraw/zinc/24/15/20/216241520.db2.gz YVVNKRCQZMRRGN-INIZCTEOSA-N 1 1 345.450 3.899 50 0 EHAAMO OCCOc1cccc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)c1 ZINC000072475840 216252630 /nfs/dbraw/zinc/25/26/30/216252630.db2.gz TXIDMQIGVMTBCL-FQEVSTJZSA-N 1 1 329.415 3.924 50 0 EHAAMO CC(C)c1ccc(N[C@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000023379718 212372681 /nfs/dbraw/zinc/37/26/81/212372681.db2.gz MKEVMNOWKOAPRB-FQEVSTJZSA-N 1 1 326.488 3.973 50 0 EHAAMO COc1ccc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1F ZINC000023373127 212372430 /nfs/dbraw/zinc/37/24/30/212372430.db2.gz MTTNCEAOECIPGF-SFHVURJKSA-N 1 1 334.479 3.969 50 0 EHAAMO COc1ccc(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)cc1F ZINC000023373127 212372434 /nfs/dbraw/zinc/37/24/34/212372434.db2.gz MTTNCEAOECIPGF-SFHVURJKSA-N 1 1 334.479 3.969 50 0 EHAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000206792313 241052233 /nfs/dbraw/zinc/05/22/33/241052233.db2.gz IRHDAFZYWHWIDM-SFHVURJKSA-N 1 1 347.528 3.900 50 0 EHAAMO CCNc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000216077675 241162744 /nfs/dbraw/zinc/16/27/44/241162744.db2.gz KOWUZGDYMUVLHB-MRXNPFEDSA-N 1 1 330.863 3.941 50 0 EHAAMO Cn1ccnc1CCC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215439957 241125320 /nfs/dbraw/zinc/12/53/20/241125320.db2.gz KMKGESLSCHCURV-INIZCTEOSA-N 1 1 333.501 3.788 50 0 EHAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccc([C@@H]3CCCO3)s2)n1 ZINC000215512657 241128140 /nfs/dbraw/zinc/12/81/40/241128140.db2.gz RVWHZKOZQTYNDK-KRWDZBQOSA-N 1 1 333.501 3.935 50 0 EHAAMO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000215520537 241130567 /nfs/dbraw/zinc/13/05/67/241130567.db2.gz BPYMVNZJYHBLIM-KRWDZBQOSA-N 1 1 347.418 3.832 50 0 EHAAMO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000215520537 241130575 /nfs/dbraw/zinc/13/05/75/241130575.db2.gz BPYMVNZJYHBLIM-KRWDZBQOSA-N 1 1 347.418 3.832 50 0 EHAAMO COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000021720068 212245182 /nfs/dbraw/zinc/24/51/82/212245182.db2.gz YEINVZIEWJVVIJ-SFHVURJKSA-N 1 1 338.411 3.719 50 0 EHAAMO COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000021720068 212245192 /nfs/dbraw/zinc/24/51/92/212245192.db2.gz YEINVZIEWJVVIJ-SFHVURJKSA-N 1 1 338.411 3.719 50 0 EHAAMO O=C(CC[N@H+]1CCO[C@H]2CCC[C@H]21)Nc1c(Cl)cccc1Cl ZINC000230082133 242227618 /nfs/dbraw/zinc/22/76/18/242227618.db2.gz QBNJXXSBQIQISL-KGLIPLIRSA-N 1 1 343.254 3.575 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)s1 ZINC000020920399 212188559 /nfs/dbraw/zinc/18/85/59/212188559.db2.gz KXDZTOZOHXYYRF-UHFFFAOYSA-N 1 1 328.481 3.599 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccn1)[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000244828513 243089370 /nfs/dbraw/zinc/08/93/70/243089370.db2.gz TXLICKKRYFLTGT-ZDUSSCGKSA-N 1 1 329.831 3.727 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccn1)[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000244828513 243089388 /nfs/dbraw/zinc/08/93/88/243089388.db2.gz TXLICKKRYFLTGT-ZDUSSCGKSA-N 1 1 329.831 3.727 50 0 EHAAMO Cc1nc(CC[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cs1 ZINC000244873238 243090509 /nfs/dbraw/zinc/09/05/09/243090509.db2.gz WMJGJIAPSDLGDJ-KRWDZBQOSA-N 1 1 326.469 3.718 50 0 EHAAMO C[NH+]1CCN(CCCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020653002 212160073 /nfs/dbraw/zinc/16/00/73/212160073.db2.gz BYSRLFWJDHRRNL-UHFFFAOYSA-N 1 1 338.495 3.684 50 0 EHAAMO COc1cc(C[NH2+]CCN(C)C)c(Cl)cc1OCc1ccccc1 ZINC000020500608 212140050 /nfs/dbraw/zinc/14/00/50/212140050.db2.gz XOQQXLSITYFBPP-UHFFFAOYSA-N 1 1 348.874 3.579 50 0 EHAAMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)co2)cc1F ZINC000080961333 217344285 /nfs/dbraw/zinc/34/42/85/217344285.db2.gz UGPIMUXLEUAYRV-ZDUSSCGKSA-N 1 1 344.365 3.723 50 0 EHAAMO CCOc1ccc(NC(=O)N2CCC(Cn3cc[nH+]c3C)CC2)cc1 ZINC000085436367 217667600 /nfs/dbraw/zinc/66/76/00/217667600.db2.gz INYHRVQJSMUTTF-UHFFFAOYSA-N 1 1 342.443 3.534 50 0 EHAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000012297744 211335497 /nfs/dbraw/zinc/33/54/97/211335497.db2.gz BLBADUBWTBTCEX-LJQANCHMSA-N 1 1 330.859 3.552 50 0 EHAAMO CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012197803 211317634 /nfs/dbraw/zinc/31/76/34/211317634.db2.gz ADPRHUUZWKLORV-OAHLLOKOSA-N 1 1 341.407 3.666 50 0 EHAAMO O=C(c1cccc(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012057342 211284864 /nfs/dbraw/zinc/28/48/64/211284864.db2.gz PUACFPAZUVVCHV-LJQANCHMSA-N 1 1 332.875 3.678 50 0 EHAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3nsnc3c1)C2 ZINC000091587042 218027013 /nfs/dbraw/zinc/02/70/13/218027013.db2.gz RYZGVMZMSYWKAB-DLBZAZTESA-N 1 1 342.512 3.554 50 0 EHAAMO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc3nsnc3c1)C2 ZINC000091587042 218027015 /nfs/dbraw/zinc/02/70/15/218027015.db2.gz RYZGVMZMSYWKAB-DLBZAZTESA-N 1 1 342.512 3.554 50 0 EHAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc3nsnc3c1)C2 ZINC000091587042 218027017 /nfs/dbraw/zinc/02/70/17/218027017.db2.gz RYZGVMZMSYWKAB-DLBZAZTESA-N 1 1 342.512 3.554 50 0 EHAAMO CC(=O)c1cc(C[N@H+]2CC[C@H](Cc3cccc(CO)c3)C2)cs1 ZINC000091724524 218054023 /nfs/dbraw/zinc/05/40/23/218054023.db2.gz HCZUBFGFLYHGMI-MRXNPFEDSA-N 1 1 329.465 3.508 50 0 EHAAMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000011662954 211229745 /nfs/dbraw/zinc/22/97/45/211229745.db2.gz AZFMZCCSLYZVRE-LJQANCHMSA-N 1 1 338.426 3.863 50 0 EHAAMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC000011662954 211229747 /nfs/dbraw/zinc/22/97/47/211229747.db2.gz AZFMZCCSLYZVRE-LJQANCHMSA-N 1 1 338.426 3.863 50 0 EHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1Cl)C2 ZINC000091846187 218076522 /nfs/dbraw/zinc/07/65/22/218076522.db2.gz HJNLGWMMTHWNBW-VXGBXAGGSA-N 1 1 342.817 3.565 50 0 EHAAMO c1ccc(COc2cccc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)c2)nc1 ZINC000093507518 218228993 /nfs/dbraw/zinc/22/89/93/218228993.db2.gz AGLVPLDYYMJADS-WIYYLYMNSA-N 1 1 338.451 3.662 50 0 EHAAMO CCCCN(Cc1ccncc1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095376167 218309397 /nfs/dbraw/zinc/30/93/97/218309397.db2.gz CQTRNLYHBDUPNM-IBGZPJMESA-N 1 1 343.446 3.652 50 0 EHAAMO C[C@@H](Cc1nnc(SCC[NH+]2CCSCC2)o1)c1ccccc1 ZINC000095409577 218346823 /nfs/dbraw/zinc/34/68/23/218346823.db2.gz CMKRINBTRWILCV-AWEZNQCLSA-N 1 1 349.525 3.557 50 0 EHAAMO C[C@@H](NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cnccn1 ZINC000095419245 218359223 /nfs/dbraw/zinc/35/92/23/218359223.db2.gz FUFZRUMWBGZAGW-NVXWUHKLSA-N 1 1 330.501 3.662 50 0 EHAAMO Cc1[nH+]ccn1C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000095438658 218382340 /nfs/dbraw/zinc/38/23/40/218382340.db2.gz LZFOGEUEQZSODX-PZJWPPBQSA-N 1 1 336.435 3.667 50 0 EHAAMO CCCc1nc(C)c(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)s1 ZINC000095517129 218423889 /nfs/dbraw/zinc/42/38/89/218423889.db2.gz NEFXFWPESKTNPH-ZDUSSCGKSA-N 1 1 334.489 3.601 50 0 EHAAMO COc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 ZINC000299780835 258089377 /nfs/dbraw/zinc/08/93/77/258089377.db2.gz CZXWAFYDZVTQNU-HLAWJBBLSA-N 1 1 345.483 3.634 50 0 EHAAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000039983763 258059506 /nfs/dbraw/zinc/05/95/06/258059506.db2.gz FYGORMNWZMZKGN-GFCCVEGCSA-N 1 1 349.887 3.916 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000039983763 258059509 /nfs/dbraw/zinc/05/95/09/258059509.db2.gz FYGORMNWZMZKGN-GFCCVEGCSA-N 1 1 349.887 3.916 50 0 EHAAMO COc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000216547449 536876097 /nfs/dbraw/zinc/87/60/97/536876097.db2.gz YPFHMCSJJWSNGB-LJQANCHMSA-N 1 1 341.451 3.621 50 0 EHAAMO COc1ccc(-c2ccc(C[N@@H+](C)CCCc3nccn3C)o2)cc1 ZINC000215631249 536896034 /nfs/dbraw/zinc/89/60/34/536896034.db2.gz OBHWPOYDVVFCSD-UHFFFAOYSA-N 1 1 339.439 3.753 50 0 EHAAMO CC(C)(C)[C@@H]([NH2+]Cn1ncc(Cl)c(Cl)c1=O)c1cccs1 ZINC000048365803 564031475 /nfs/dbraw/zinc/03/14/75/564031475.db2.gz MJYZFGJZMLQDDL-LBPRGKRZSA-N 1 1 346.283 3.946 50 0 EHAAMO CCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000032841694 563760854 /nfs/dbraw/zinc/76/08/54/563760854.db2.gz BIKKCIRQNMIEPT-NRFANRHFSA-N 1 1 347.462 3.790 50 0 EHAAMO CCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000032841694 563760857 /nfs/dbraw/zinc/76/08/57/563760857.db2.gz BIKKCIRQNMIEPT-NRFANRHFSA-N 1 1 347.462 3.790 50 0 EHAAMO CC[N@H+]1CCC[C@](C(=O)NCc2cccs2)(c2ccccc2)CC1 ZINC000065226083 563764167 /nfs/dbraw/zinc/76/41/67/563764167.db2.gz WFLKWGOECQDCOQ-HXUWFJFHSA-N 1 1 342.508 3.808 50 0 EHAAMO OC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015065189 563775052 /nfs/dbraw/zinc/77/50/52/563775052.db2.gz CXHUYXOFHYSHJL-KRWDZBQOSA-N 1 1 347.462 3.948 50 0 EHAAMO Fc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000015067006 563775069 /nfs/dbraw/zinc/77/50/69/563775069.db2.gz GSIQZZLFSWRGJU-MRXNPFEDSA-N 1 1 342.443 3.907 50 0 EHAAMO C[C@@H]1C[C@@H](OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000015724562 563791052 /nfs/dbraw/zinc/79/10/52/563791052.db2.gz QUUUPSHLTILKRI-LSTHTHJFSA-N 1 1 331.500 3.637 50 0 EHAAMO CC[NH+]1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000016211312 563805926 /nfs/dbraw/zinc/80/59/26/563805926.db2.gz BGNQDACSMDSFBF-UHFFFAOYSA-N 1 1 341.480 3.813 50 0 EHAAMO CCC(CC)[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020254786 563859099 /nfs/dbraw/zinc/85/90/99/563859099.db2.gz IYJLFYFYLBCFHJ-FQEVSTJZSA-N 1 1 333.495 3.601 50 0 EHAAMO Cc1cc(NC(=O)[C@@H]([NH2+]Cc2ccc(C)cc2)c2ccccc2)no1 ZINC000023994704 563867883 /nfs/dbraw/zinc/86/78/83/563867883.db2.gz CRNGTKKWSKHSPT-IBGZPJMESA-N 1 1 335.407 3.761 50 0 EHAAMO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(O)c(Cl)c1 ZINC000024189385 563869600 /nfs/dbraw/zinc/86/96/00/563869600.db2.gz ALQRRRSBEWTUSY-UHFFFAOYSA-N 1 1 344.842 3.571 50 0 EHAAMO Cc1ccc(F)cc1NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000024964990 563878533 /nfs/dbraw/zinc/87/85/33/563878533.db2.gz LBSQTJCQZAVZLA-HNNXBMFYSA-N 1 1 342.414 3.607 50 0 EHAAMO Cc1ccc(F)cc1NC(=O)c1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000024964990 563878535 /nfs/dbraw/zinc/87/85/35/563878535.db2.gz LBSQTJCQZAVZLA-HNNXBMFYSA-N 1 1 342.414 3.607 50 0 EHAAMO COc1ccc2cc(C[N@H+](C)CC(=O)N(C)c3ccccc3)ccc2c1 ZINC000028730668 563903927 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Cc1ncc(C[N@@H+](C)C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000058005472 563936533 /nfs/dbraw/zinc/93/65/33/563936533.db2.gz YLOHGKZYXZXZCK-AWEZNQCLSA-N 1 1 346.374 3.516 50 0 EHAAMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058201492 563939657 /nfs/dbraw/zinc/93/96/57/563939657.db2.gz CCIXNIJPHOSKLV-FQEVSTJZSA-N 1 1 337.467 3.598 50 0 EHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2csc(C(C)C)n2)c1 ZINC000058280276 563941488 /nfs/dbraw/zinc/94/14/88/563941488.db2.gz VQSLXDYKAANXFS-UHFFFAOYSA-N 1 1 345.512 3.577 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)Oc2ccccc2)c1 ZINC000058356701 563943526 /nfs/dbraw/zinc/94/35/26/563943526.db2.gz UXVMZEDILWDCBP-LJQANCHMSA-N 1 1 345.464 3.541 50 0 EHAAMO c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000096414814 563951028 /nfs/dbraw/zinc/95/10/28/563951028.db2.gz NCVFJJOXQHLFIJ-SFHVURJKSA-N 1 1 347.466 3.890 50 0 EHAAMO c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000096414814 563951030 /nfs/dbraw/zinc/95/10/30/563951030.db2.gz 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c1csc([C@@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 ZINC000195102987 564122806 /nfs/dbraw/zinc/12/28/06/564122806.db2.gz CQTGKKOIOLLYBR-GOEBONIOSA-N 1 1 347.484 3.616 50 0 EHAAMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C)c1 ZINC000195529442 564123589 /nfs/dbraw/zinc/12/35/89/564123589.db2.gz LVHQGMXFEAFZEM-UXHICEINSA-N 1 1 325.452 3.880 50 0 EHAAMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O ZINC000095466692 564141035 /nfs/dbraw/zinc/14/10/35/564141035.db2.gz CELKOTBIWUOQPF-CVEARBPZSA-N 1 1 345.405 3.857 50 0 EHAAMO Fc1ccc(C[NH2+][C@@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 ZINC000096002744 564144416 /nfs/dbraw/zinc/14/44/16/564144416.db2.gz DOULPERSZXGCKF-CQSZACIVSA-N 1 1 327.325 3.752 50 0 EHAAMO COc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000096407783 564147450 /nfs/dbraw/zinc/14/74/50/564147450.db2.gz VBFDWKSXDRRZQA-MRXNPFEDSA-N 1 1 342.443 3.712 50 0 EHAAMO CCn1cc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cn1 ZINC000097203008 564149561 /nfs/dbraw/zinc/14/95/61/564149561.db2.gz IMCUZPRKVWDGRN-UHFFFAOYSA-N 1 1 336.439 3.938 50 0 EHAAMO CCn1cc(C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)cn1 ZINC000097202776 564149571 /nfs/dbraw/zinc/14/95/71/564149571.db2.gz GDWDHVSSCVYTGT-UHFFFAOYSA-N 1 1 342.468 3.999 50 0 EHAAMO CCC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC1CC1 ZINC000002645864 564151789 /nfs/dbraw/zinc/15/17/89/564151789.db2.gz ARYYTFWWDVPXAL-CQSZACIVSA-N 1 1 332.271 3.855 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000057432212 564154312 /nfs/dbraw/zinc/15/43/12/564154312.db2.gz FNQGJSCMKRUBDQ-KRWDZBQOSA-N 1 1 329.831 3.861 50 0 EHAAMO C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000057432212 564154313 /nfs/dbraw/zinc/15/43/13/564154313.db2.gz FNQGJSCMKRUBDQ-KRWDZBQOSA-N 1 1 329.831 3.861 50 0 EHAAMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000057568216 564154975 /nfs/dbraw/zinc/15/49/75/564154975.db2.gz BXVDWYQPFJVSNQ-SGTLLEGYSA-N 1 1 330.378 3.635 50 0 EHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000057638180 564155286 /nfs/dbraw/zinc/15/52/86/564155286.db2.gz LWQWNILPGCCHPI-UHFFFAOYSA-N 1 1 345.446 3.680 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000057727596 564155538 /nfs/dbraw/zinc/15/55/38/564155538.db2.gz SPGHNBDQOIIJKM-QGZVFWFLSA-N 1 1 329.831 3.861 50 0 EHAAMO C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000057727596 564155539 /nfs/dbraw/zinc/15/55/39/564155539.db2.gz SPGHNBDQOIIJKM-QGZVFWFLSA-N 1 1 329.831 3.861 50 0 EHAAMO Cc1sc2ncnc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000007980964 564161707 /nfs/dbraw/zinc/16/17/07/564161707.db2.gz VSXRMURGJRAOCU-INIZCTEOSA-N 1 1 338.480 3.995 50 0 in-vitro EHAAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000008130891 564162997 /nfs/dbraw/zinc/16/29/97/564162997.db2.gz CXRKKPZLWOQAII-SNVBAGLBSA-N 1 1 342.386 3.933 50 0 EHAAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000008130891 564162998 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3.569 50 0 EHAAMO COCCC[N@H+]1Cc2cccc(NC(=O)c3cc(F)ccc3F)c2C1 ZINC000069698497 564171527 /nfs/dbraw/zinc/17/15/27/564171527.db2.gz GJIKARIYOSPYCM-UHFFFAOYSA-N 1 1 346.377 3.569 50 0 EHAAMO O=C1OCCN1CCC[N@@H+]1CCC[C@@H]1c1nc(C2CCCCC2)co1 ZINC000070041064 564173556 /nfs/dbraw/zinc/17/35/56/564173556.db2.gz BBESELQCVDXUNY-QGZVFWFLSA-N 1 1 347.459 3.702 50 0 EHAAMO O=C1OCCN1CCC[N@H+]1CCC[C@@H]1c1nc(C2CCCCC2)co1 ZINC000070041064 564173557 /nfs/dbraw/zinc/17/35/57/564173557.db2.gz BBESELQCVDXUNY-QGZVFWFLSA-N 1 1 347.459 3.702 50 0 EHAAMO Cc1noc(C(C)C)c1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363337 564173741 /nfs/dbraw/zinc/17/37/41/564173741.db2.gz RFPQDYNUWFUARV-UHFFFAOYSA-N 1 1 347.484 3.516 50 0 EHAAMO Cc1noc(C(C)C)c1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363337 564173742 /nfs/dbraw/zinc/17/37/42/564173742.db2.gz RFPQDYNUWFUARV-UHFFFAOYSA-N 1 1 347.484 3.516 50 0 EHAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797159 564175412 /nfs/dbraw/zinc/17/54/12/564175412.db2.gz OTHGQEMDSLXMLG-MRXNPFEDSA-N 1 1 328.441 3.782 50 0 EHAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797159 564175413 /nfs/dbraw/zinc/17/54/13/564175413.db2.gz OTHGQEMDSLXMLG-MRXNPFEDSA-N 1 1 328.441 3.782 50 0 EHAAMO Cc1nc2ccccc2cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172419256 1032668746 /nfs/dbraw/zinc/66/87/46/1032668746.db2.gz JAISHYFVKROVBZ-UHFFFAOYSA-N 1 1 337.467 3.634 50 0 EHAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000019635590 1018038547 /nfs/dbraw/zinc/03/85/47/1018038547.db2.gz KGZNAOHDVRKGAE-FQEVSTJZSA-N 1 1 327.516 3.524 50 0 EHAAMO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000029415630 1027504010 /nfs/dbraw/zinc/50/40/10/1027504010.db2.gz XTSSAOKFOZVHHP-UHFFFAOYSA-N 1 1 346.434 3.925 50 0 EHAAMO CCCO[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2F)C1 ZINC000023251338 1034513306 /nfs/dbraw/zinc/51/33/06/1034513306.db2.gz GXXFXVLSCZFEGF-INIZCTEOSA-N 1 1 347.434 3.615 50 0 EHAAMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000194928793 1035135701 /nfs/dbraw/zinc/13/57/01/1035135701.db2.gz HXUZQDGZFDNJPL-FQEVSTJZSA-N 1 1 343.471 3.636 50 0 EHAAMO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177683877 1035320553 /nfs/dbraw/zinc/32/05/53/1035320553.db2.gz IHOQRKKTULLTCP-MRXNPFEDSA-N 1 1 339.439 3.935 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000581805571 1035611790 /nfs/dbraw/zinc/61/17/90/1035611790.db2.gz CKBIITFKPFKGDR-GOSISDBHSA-N 1 1 331.504 3.963 50 0 EHAAMO O=c1c2ccccc2ncn1CC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000032577714 1035977941 /nfs/dbraw/zinc/97/79/41/1035977941.db2.gz WPJSUSAEMWUDBL-KRWDZBQOSA-N 1 1 325.456 3.584 50 0 EHAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877609 1040889325 /nfs/dbraw/zinc/88/93/25/1040889325.db2.gz XPNBYKIRIXCQFW-AEFFLSMTSA-N 1 1 332.488 3.526 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581806818 1132368958 /nfs/dbraw/zinc/36/89/58/1132368958.db2.gz ZTYYNNNIQBSADJ-KRWDZBQOSA-N 1 1 325.456 3.615 50 0 EHAAMO COCCCn1c(C)cnc1[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581815726 1132372138 /nfs/dbraw/zinc/37/21/38/1132372138.db2.gz HBZQFWQAKKDJIZ-LJQANCHMSA-N 1 1 327.472 3.526 50 0 EHAAMO COc1cc(F)c([C@H](C)[NH2+]Cc2cnc3ccccc3n2)cc1OC ZINC000585094288 1136995505 /nfs/dbraw/zinc/99/55/05/1136995505.db2.gz DJPQMQQZWYYAHL-LBPRGKRZSA-N 1 1 341.386 3.637 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC000585138144 1137022582 /nfs/dbraw/zinc/02/25/82/1137022582.db2.gz RGOSTRZTMDQGNW-CYBMUJFWSA-N 1 1 347.846 3.843 50 0 EHAAMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952980640 1137484829 /nfs/dbraw/zinc/48/48/29/1137484829.db2.gz DYOQEFCCVQNSJM-INIZCTEOSA-N 1 1 326.488 3.666 50 0 EHAAMO Cc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCCCO2)c(-n2cccn2)c1 ZINC000952968175 1137485005 /nfs/dbraw/zinc/48/50/05/1137485005.db2.gz AWJYSOQQNSTGID-SFHVURJKSA-N 1 1 327.472 3.880 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCCCCC1 ZINC000004745278 210267338 /nfs/dbraw/zinc/26/73/38/210267338.db2.gz NZRUILYHRIXQRG-FQEVSTJZSA-N 1 1 328.500 3.734 50 0 EHAAMO c1cnc2c(c1)cccc2CN1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000055107548 214273996 /nfs/dbraw/zinc/27/39/96/214273996.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 1 1 335.495 3.933 50 0 EHAAMO c1cnc2c(c1)cccc2CN1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000055107548 214273997 /nfs/dbraw/zinc/27/39/97/214273997.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 1 1 335.495 3.933 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1 ZINC000055132956 214278169 /nfs/dbraw/zinc/27/81/69/214278169.db2.gz NXQBVJHNMDOLEE-HXUWFJFHSA-N 1 1 329.415 3.801 50 0 EHAAMO c1cc(C[N@H+](Cc2cccc3c2OCO3)C[C@H]2CCCO2)cs1 ZINC000055308138 214303769 /nfs/dbraw/zinc/30/37/69/214303769.db2.gz ITHJPDOFXAQDTG-MRXNPFEDSA-N 1 1 331.437 3.658 50 0 EHAAMO c1cc(C[N@@H+](Cc2cccc3c2OCO3)C[C@H]2CCCO2)cs1 ZINC000055308138 214303770 /nfs/dbraw/zinc/30/37/70/214303770.db2.gz ITHJPDOFXAQDTG-MRXNPFEDSA-N 1 1 331.437 3.658 50 0 EHAAMO CC[N@H+](Cc1ccc(Sc2ncccn2)o1)Cc1ccncc1 ZINC000055575880 214331844 /nfs/dbraw/zinc/33/18/44/214331844.db2.gz WBJBCKWMSVRETF-UHFFFAOYSA-N 1 1 326.425 3.638 50 0 EHAAMO CC[N@@H+](Cc1ccc(Sc2ncccn2)o1)Cc1ccncc1 ZINC000055575880 214331848 /nfs/dbraw/zinc/33/18/48/214331848.db2.gz WBJBCKWMSVRETF-UHFFFAOYSA-N 1 1 326.425 3.638 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1 ZINC000055903262 214348020 /nfs/dbraw/zinc/34/80/20/214348020.db2.gz RCKBDYPCNFDMTE-MRXNPFEDSA-N 1 1 346.521 3.922 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)COC2CCCCC2)cc1F ZINC000056110458 214359002 /nfs/dbraw/zinc/35/90/02/214359002.db2.gz AAHKNJPDRIGEDS-UHFFFAOYSA-N 1 1 331.391 3.608 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 ZINC000004555583 210220913 /nfs/dbraw/zinc/22/09/13/210220913.db2.gz LUZUWNJJYXLVAP-HNNXBMFYSA-N 1 1 331.416 3.694 50 0 EHAAMO COc1ccc(Cn2c[nH+]c(-c3ccc(Cl)cc3)c2N)cc1OC ZINC000100491929 219100328 /nfs/dbraw/zinc/10/03/28/219100328.db2.gz CNJLHZWWVNYGRE-UHFFFAOYSA-N 1 1 343.814 3.851 50 0 EHAAMO COc1cc(C[NH2+]Cc2cc(C)on2)c(-c2ccccc2)cc1OC ZINC000048275590 213908421 /nfs/dbraw/zinc/90/84/21/213908421.db2.gz JJTZGIDXUWSNQJ-UHFFFAOYSA-N 1 1 338.407 3.957 50 0 EHAAMO COc1ccc(-c2nc(C[N@H+](C)CCCO)c(C)o2)c2ccccc12 ZINC000067756120 215204781 /nfs/dbraw/zinc/20/47/81/215204781.db2.gz PBTLZZCOGCWBQN-UHFFFAOYSA-N 1 1 340.423 3.626 50 0 EHAAMO COc1ccc(-c2nc(C[N@@H+](C)CCCO)c(C)o2)c2ccccc12 ZINC000067756120 215204783 /nfs/dbraw/zinc/20/47/83/215204783.db2.gz PBTLZZCOGCWBQN-UHFFFAOYSA-N 1 1 340.423 3.626 50 0 EHAAMO CCC(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000067770680 215207197 /nfs/dbraw/zinc/20/71/97/215207197.db2.gz VKTXGBIPKTUHOP-QFIPXVFZSA-N 1 1 342.527 3.980 50 0 EHAAMO Cc1ccc2nc(C[NH2+]Cc3ccccc3-n3cccn3)[nH]c2c1C ZINC000067878470 215237808 /nfs/dbraw/zinc/23/78/08/215237808.db2.gz CJJYGJCYDBJHPI-UHFFFAOYSA-N 1 1 331.423 3.655 50 0 EHAAMO Cc1ccc2[nH]c(=O)c(C[N@H+](C)[C@@H](C)Cc3ncccc3C)cc2c1 ZINC000067909128 215248863 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CC(=O)C1(c2ccccc2)CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000072121593 216013547 /nfs/dbraw/zinc/01/35/47/216013547.db2.gz KUPBRVBNNRNYIL-UHFFFAOYSA-N 1 1 347.462 3.766 50 0 EHAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000072153247 216041764 /nfs/dbraw/zinc/04/17/64/216041764.db2.gz YIZSDYLXVDLVNH-KRWDZBQOSA-N 1 1 338.451 3.956 50 0 EHAAMO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000072165583 216053895 /nfs/dbraw/zinc/05/38/95/216053895.db2.gz YIGHQYXRXRDVNZ-UHFFFAOYSA-N 1 1 343.434 3.756 50 0 EHAAMO Cc1cccnc1N1CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000072166038 216056266 /nfs/dbraw/zinc/05/62/66/216056266.db2.gz XMEFHKJUVJOSLH-KRWDZBQOSA-N 1 1 343.496 3.625 50 0 EHAAMO O=C(c1ccc(-c2ccco2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072243316 216081880 /nfs/dbraw/zinc/08/18/80/216081880.db2.gz GRJZSPDCJSDMHX-UHFFFAOYSA-N 1 1 346.430 3.905 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072253564 216083580 /nfs/dbraw/zinc/08/35/80/216083580.db2.gz 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O=C(C1CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000030450476 563909764 /nfs/dbraw/zinc/90/97/64/563909764.db2.gz CIENDBNMRJPHCB-UHFFFAOYSA-N 1 1 340.492 3.859 50 0 EHAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023281839 563918455 /nfs/dbraw/zinc/91/84/55/563918455.db2.gz HIBJOKIZBDTURP-OAHLLOKOSA-N 1 1 344.842 3.830 50 0 EHAAMO Cc1nccn1C[C@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000043089163 563925219 /nfs/dbraw/zinc/92/52/19/563925219.db2.gz YHNKFBGZWZSVCW-AEFFLSMTSA-N 1 1 337.471 3.514 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)N1CCCc2ccccc21 ZINC000058344427 563943239 /nfs/dbraw/zinc/94/32/39/563943239.db2.gz DAXIILFFLMHOCH-IBGZPJMESA-N 1 1 338.426 3.942 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)N1CCCc2ccccc21 ZINC000058344427 563943240 /nfs/dbraw/zinc/94/32/40/563943240.db2.gz DAXIILFFLMHOCH-IBGZPJMESA-N 1 1 338.426 3.942 50 0 EHAAMO c1cc2c(cccc2C[N@H+]2CCCC[C@H]2c2nncn2CC2CC2)[nH]1 ZINC000097941510 563951042 /nfs/dbraw/zinc/95/10/42/563951042.db2.gz 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O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccnn1C1CCCC1 ZINC000007362713 564107510 /nfs/dbraw/zinc/10/75/10/564107510.db2.gz VAMPZXSIIQYGER-HNNXBMFYSA-N 1 1 344.484 3.835 50 0 EHAAMO C[C@H]1CCO[C@@H]([C@@H]([N@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607460 564109634 /nfs/dbraw/zinc/10/96/34/564109634.db2.gz SSOPRBFADJMCSV-GVDBMIGSSA-N 1 1 341.561 3.693 50 0 EHAAMO Cc1cc(F)cc2[nH]c(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)cc21 ZINC000170629542 564110622 /nfs/dbraw/zinc/11/06/22/564110622.db2.gz VQILOOCDHZBUFU-ZDUSSCGKSA-N 1 1 345.462 3.856 50 0 EHAAMO Cc1ccc(C)n1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000089652250 564112950 /nfs/dbraw/zinc/11/29/50/564112950.db2.gz KVZRSNMEDVWWOD-UHFFFAOYSA-N 1 1 336.439 3.992 50 0 EHAAMO CCOc1cc(Cl)ccc1NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000089960850 564115894 /nfs/dbraw/zinc/11/58/94/564115894.db2.gz AOGDUTAUPLGFRS-CYBMUJFWSA-N 1 1 339.867 3.544 50 0 EHAAMO CCOCC1CC[NH+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000089986722 564116056 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CC(C)c1nc([C@@H]2CCCN(c3ccccn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000584886500 564131487 /nfs/dbraw/zinc/13/14/87/564131487.db2.gz LQLRAFZBNHKETB-MRXNPFEDSA-N 1 1 348.454 3.565 50 0 EHAAMO CN(C)c1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013143405 564136074 /nfs/dbraw/zinc/13/60/74/564136074.db2.gz RBXMSAUXWFTAFL-OALUTQOASA-N 1 1 342.870 3.934 50 0 EHAAMO FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000278712214 564138703 /nfs/dbraw/zinc/13/87/03/564138703.db2.gz OSUQEXHDNOFSJR-ZDUSSCGKSA-N 1 1 349.360 3.684 50 0 EHAAMO FC(F)(F)c1cnc([C@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)[nH]1 ZINC000278712214 564138705 /nfs/dbraw/zinc/13/87/05/564138705.db2.gz OSUQEXHDNOFSJR-ZDUSSCGKSA-N 1 1 349.360 3.684 50 0 EHAAMO CC[C@H](CSC)[N@@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000095459554 564140732 /nfs/dbraw/zinc/14/07/32/564140732.db2.gz GRRQLKFVYNJENZ-QGZVFWFLSA-N 1 1 347.532 3.584 50 0 EHAAMO COC(=O)[C@H](C)C[N@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC1 ZINC000095972242 564143466 /nfs/dbraw/zinc/14/34/66/564143466.db2.gz QVQZWBLPMAVTQE-CQSZACIVSA-N 1 1 344.480 3.892 50 0 EHAAMO COC(=O)[C@H](C)C[N@@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC1 ZINC000095972242 564143467 /nfs/dbraw/zinc/14/34/67/564143467.db2.gz QVQZWBLPMAVTQE-CQSZACIVSA-N 1 1 344.480 3.892 50 0 EHAAMO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000095986434 564143944 /nfs/dbraw/zinc/14/39/44/564143944.db2.gz UJKYWQQGZZKRQW-CQSZACIVSA-N 1 1 338.224 3.563 50 0 EHAAMO O=C(CCC1CCCC1)N1CC[NH+](CCCc2ccsc2)CC1 ZINC000096008305 564144560 /nfs/dbraw/zinc/14/45/60/564144560.db2.gz LXOSREJXVOVCRT-UHFFFAOYSA-N 1 1 334.529 3.795 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Nc2cccc3cccnc32)[C@@H](c2ccccc2)C1 ZINC000096286618 564146357 /nfs/dbraw/zinc/14/63/57/564146357.db2.gz LWGVAOGHOBBRPG-LJQANCHMSA-N 1 1 346.434 3.755 50 0 EHAAMO C[N@H+]1CCN(C(=O)Nc2cccc3cccnc32)[C@@H](c2ccccc2)C1 ZINC000096286618 564146358 /nfs/dbraw/zinc/14/63/58/564146358.db2.gz LWGVAOGHOBBRPG-LJQANCHMSA-N 1 1 346.434 3.755 50 0 EHAAMO C[N@H+]1CCC[C@@H](CNC(=O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096409954 564147578 /nfs/dbraw/zinc/14/75/78/564147578.db2.gz JSNCTWAZEPCIQY-HOCLYGCPSA-N 1 1 340.389 3.615 50 0 EHAAMO Cn1c2ccc(NC3CCC4(CC3)OCCO4)cc2[nH+]c1C(C)(C)C ZINC000161824265 564150375 /nfs/dbraw/zinc/15/03/75/564150375.db2.gz UKEPOWAZFQRRCB-UHFFFAOYSA-N 1 1 343.471 3.968 50 0 EHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 ZINC000057153606 564153329 /nfs/dbraw/zinc/15/33/29/564153329.db2.gz YLLVFNMVCPYWCN-LEWJYISDSA-N 1 1 349.478 3.657 50 0 EHAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000003060209 564154846 /nfs/dbraw/zinc/15/48/46/564154846.db2.gz AHRCLBDOMXQPIL-CQSZACIVSA-N 1 1 335.517 3.587 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCSc3ccccc32)c(C(C)C)nn1C ZINC000058419021 564159049 /nfs/dbraw/zinc/15/90/49/564159049.db2.gz SNKVGEJKLKBIGV-OAHLLOKOSA-N 1 1 331.485 3.879 50 0 EHAAMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000004090813 564160501 /nfs/dbraw/zinc/16/05/01/564160501.db2.gz BSDPQEFENGLTDD-ZDUSSCGKSA-N 1 1 341.407 3.552 50 0 biogenic EHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000004090813 564160502 /nfs/dbraw/zinc/16/05/02/564160502.db2.gz BSDPQEFENGLTDD-ZDUSSCGKSA-N 1 1 341.407 3.552 50 0 biogenic EHAAMO Cc1csc2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)n12 ZINC000007988367 564161924 /nfs/dbraw/zinc/16/19/24/564161924.db2.gz FUBOTKKOYJQDHI-QGZVFWFLSA-N 1 1 339.464 3.574 50 0 EHAAMO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214166 564163572 /nfs/dbraw/zinc/16/35/72/564163572.db2.gz TXOXNHISSUNUSE-HNNXBMFYSA-N 1 1 344.430 3.534 50 0 EHAAMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214166 564163573 /nfs/dbraw/zinc/16/35/73/564163573.db2.gz TXOXNHISSUNUSE-HNNXBMFYSA-N 1 1 344.430 3.534 50 0 EHAAMO C[N@H+]1CC[C@H](CNCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289930 564169012 /nfs/dbraw/zinc/16/90/12/564169012.db2.gz GCNBJVGWDQVHRK-MLGOLLRUSA-N 1 1 339.867 3.718 50 0 EHAAMO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(C3CC3)on2)cc1Cl ZINC000252500589 568419114 /nfs/dbraw/zinc/41/91/14/568419114.db2.gz SYNNIJRRFFFJGE-UHFFFAOYSA-N 1 1 347.846 3.974 50 0 EHAAMO Cc1ccc(NC(=O)CC[N@H+](C)Cc2cc(C3CC3)on2)cc1Cl ZINC000252500589 568419116 /nfs/dbraw/zinc/41/91/16/568419116.db2.gz SYNNIJRRFFFJGE-UHFFFAOYSA-N 1 1 347.846 3.974 50 0 EHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000018232283 1023248998 /nfs/dbraw/zinc/24/89/98/1023248998.db2.gz NBZUJLPONOPWSB-VSRDTVRMSA-N 1 1 340.854 3.869 50 0 EHAAMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000018232283 1023249006 /nfs/dbraw/zinc/24/90/06/1023249006.db2.gz NBZUJLPONOPWSB-VSRDTVRMSA-N 1 1 340.854 3.869 50 0 EHAAMO COc1ccc(C[N@@H+](C)C2CSCCSC2)c2cccnc12 ZINC000032547886 1037406741 /nfs/dbraw/zinc/40/67/41/1037406741.db2.gz RFKPPTNJSUBABX-UHFFFAOYSA-N 1 1 334.510 3.524 50 0 EHAAMO Cc1cccc(CN2CC[N@H+](C/C=C/c3ccccc3)CCC2=O)c1 ZINC000012325813 1129534681 /nfs/dbraw/zinc/53/46/81/1129534681.db2.gz IMSSELNFFCVIFG-IZZDOVSWSA-N 1 1 334.463 3.743 50 0 EHAAMO Cc1cccc(CN2CC[N@@H+](C/C=C/c3ccccc3)CCC2=O)c1 ZINC000012325813 1129534683 /nfs/dbraw/zinc/53/46/83/1129534683.db2.gz IMSSELNFFCVIFG-IZZDOVSWSA-N 1 1 334.463 3.743 50 0 EHAAMO CC[C@@H](C(=O)N(C)Cc1ccc(OC)c2ccccc12)[N@@H+](C)CC ZINC000822541574 1131002026 /nfs/dbraw/zinc/00/20/26/1131002026.db2.gz GPZOEAYEFGBBLL-SFHVURJKSA-N 1 1 328.456 3.537 50 0 EHAAMO CC[C@@H](C)Cc1nc(-c2ccn(C(F)F)n2)n(-c2cc[nH+]cc2)n1 ZINC000822619956 1131004922 /nfs/dbraw/zinc/00/49/22/1131004922.db2.gz BPODNPOJQDLPRU-LLVKDONJSA-N 1 1 332.358 3.510 50 0 EHAAMO COCCn1c(C)cnc1C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000575317568 1131541205 /nfs/dbraw/zinc/54/12/05/1131541205.db2.gz NVEDWUHMBKAWDB-FQEVSTJZSA-N 1 1 341.499 3.601 50 0 EHAAMO COCCn1c(C)cnc1C[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000581815380 1132371927 /nfs/dbraw/zinc/37/19/27/1132371927.db2.gz APRZHIPXYDZJHM-LJQANCHMSA-N 1 1 333.520 3.673 50 0 EHAAMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CCc2ccccc2NC1=O ZINC000191851312 1136813973 /nfs/dbraw/zinc/81/39/73/1136813973.db2.gz YRPCOPIVJKBNDV-NRFANRHFSA-N 1 1 349.478 3.672 50 0 EHAAMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000585084696 1136975382 /nfs/dbraw/zinc/97/53/82/1136975382.db2.gz UWPZBRICFRCRSN-LJQANCHMSA-N 1 1 338.455 3.938 50 0 EHAAMO Cc1ccccc1O[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCC1)C(C)C ZINC000952989746 1137485926 /nfs/dbraw/zinc/48/59/26/1137485926.db2.gz XZZSWRBNZHDSOL-FQEVSTJZSA-N 1 1 346.515 3.731 50 0 EHAAMO Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)c1 ZINC000097604310 219041023 /nfs/dbraw/zinc/04/10/23/219041023.db2.gz CVGJPIGIKARCJE-UXHICEINSA-N 1 1 334.463 3.763 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000055183299 214285134 /nfs/dbraw/zinc/28/51/34/214285134.db2.gz QTTSYZYVECSWSE-SFHVURJKSA-N 1 1 341.480 3.707 50 0 EHAAMO CCOc1ccc(C[N@@H+](Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000055211781 214289543 /nfs/dbraw/zinc/28/95/43/214289543.db2.gz BYTXJZBSSMHHOT-UHFFFAOYSA-N 1 1 325.408 3.979 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccccc2Cn2cccn2)c1 ZINC000055269718 214297978 /nfs/dbraw/zinc/29/79/78/214297978.db2.gz MOZAYXHLVTXVIR-GOSISDBHSA-N 1 1 334.467 3.698 50 0 EHAAMO Cc1cc2nc(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)[nH]c2cc1C ZINC000055242518 214294124 /nfs/dbraw/zinc/29/41/24/214294124.db2.gz MBKCWENQGVCMKO-UHFFFAOYSA-N 1 1 349.413 3.999 50 0 EHAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055309526 214305182 /nfs/dbraw/zinc/30/51/82/214305182.db2.gz JOYPYUFXVODGKS-UHFFFAOYSA-N 1 1 349.434 3.638 50 0 EHAAMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([C@H]2CCCO2)s1 ZINC000055393231 214316735 /nfs/dbraw/zinc/31/67/35/214316735.db2.gz BZVUHQQFWLFZBA-QGZVFWFLSA-N 1 1 333.501 3.991 50 0 EHAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000055407777 214321055 /nfs/dbraw/zinc/32/10/55/214321055.db2.gz CHNZCKPBXMHSCD-CHWSQXEVSA-N 1 1 328.909 3.571 50 0 EHAAMO Cc1c2cc(Cl)ccc2[nH]c1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097805531 219057751 /nfs/dbraw/zinc/05/77/51/219057751.db2.gz ZRPNPRGZYBWNTR-UHFFFAOYSA-N 1 1 329.835 3.627 50 0 EHAAMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCC3(C2)CCCCCC3)cs1 ZINC000098015865 219069365 /nfs/dbraw/zinc/06/93/65/219069365.db2.gz ICEBTNPRFDUBLU-UHFFFAOYSA-N 1 1 349.544 3.710 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2sccc2C)N3)C1 ZINC000004556404 210220241 /nfs/dbraw/zinc/22/02/41/210220241.db2.gz JSYZUKXDGDEWIW-AWEZNQCLSA-N 1 1 333.482 3.925 50 0 EHAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000004173718 210139889 /nfs/dbraw/zinc/13/98/89/210139889.db2.gz BOXSZJJSGYKFPP-VVHWVUDUSA-N 1 1 335.532 3.702 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCc1cn[nH]c1)CCO2 ZINC000067514003 215156765 /nfs/dbraw/zinc/15/67/65/215156765.db2.gz PCCDKLPGDWVWMS-UHFFFAOYSA-N 1 1 349.434 3.528 50 0 EHAAMO C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2nn(C)c3ccccc32)c1 ZINC000067643640 215172840 /nfs/dbraw/zinc/17/28/40/215172840.db2.gz VUXZGBIXGBWHPT-OAHLLOKOSA-N 1 1 348.450 3.810 50 0 EHAAMO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2cnns2)c1 ZINC000067725569 215196715 /nfs/dbraw/zinc/19/67/15/215196715.db2.gz GIAPNDYENUFFHT-GFCCVEGCSA-N 1 1 342.424 3.576 50 0 EHAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2cnns2)c1 ZINC000067725569 215196718 /nfs/dbraw/zinc/19/67/18/215196718.db2.gz GIAPNDYENUFFHT-GFCCVEGCSA-N 1 1 342.424 3.576 50 0 EHAAMO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)Nc3ccccc3)C2)oc1C ZINC000067920683 215249790 /nfs/dbraw/zinc/24/97/90/215249790.db2.gz AKMKFNNEWSTBIH-INIZCTEOSA-N 1 1 327.428 3.540 50 0 EHAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000040496538 213320638 /nfs/dbraw/zinc/32/06/38/213320638.db2.gz WEIYVXIFQFRYDY-GJZGRUSLSA-N 1 1 342.443 3.605 50 0 EHAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000040496538 213320640 /nfs/dbraw/zinc/32/06/40/213320640.db2.gz WEIYVXIFQFRYDY-GJZGRUSLSA-N 1 1 342.443 3.605 50 0 EHAAMO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000040461046 213306903 /nfs/dbraw/zinc/30/69/03/213306903.db2.gz ADOSHLSAXCSRTR-FQEVSTJZSA-N 1 1 334.419 3.549 50 0 EHAAMO CCC[N@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036099974 213067014 /nfs/dbraw/zinc/06/70/14/213067014.db2.gz SWUCPYOQKYJQAH-HXUWFJFHSA-N 1 1 327.468 3.955 50 0 EHAAMO COCC[NH2+]Cc1csc(COc2cccc3ccccc32)n1 ZINC000035718961 213047257 /nfs/dbraw/zinc/04/72/57/213047257.db2.gz GLNCTHJCHFNYGA-UHFFFAOYSA-N 1 1 328.437 3.611 50 0 EHAAMO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000071828286 215859223 /nfs/dbraw/zinc/85/92/23/215859223.db2.gz XZEQURYVIXIIOX-SNVBAGLBSA-N 1 1 340.221 3.713 50 0 EHAAMO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000071836984 215868405 /nfs/dbraw/zinc/86/84/05/215868405.db2.gz KERWCJQBRKWNAN-AWEZNQCLSA-N 1 1 340.254 3.903 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000072144129 216030502 /nfs/dbraw/zinc/03/05/02/216030502.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 1 1 332.536 3.695 50 0 EHAAMO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000072144129 216030505 /nfs/dbraw/zinc/03/05/05/216030505.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 1 1 332.536 3.695 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000072144129 216030507 /nfs/dbraw/zinc/03/05/07/216030507.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 1 1 332.536 3.695 50 0 EHAAMO Fc1ccccc1C[N@H+]1CCC[C@@]2(CCN(c3nccs3)C2)C1 ZINC000072168331 216058644 /nfs/dbraw/zinc/05/86/44/216058644.db2.gz OTRAJUGJBODBSQ-GOSISDBHSA-N 1 1 331.460 3.775 50 0 EHAAMO Cc1cccn2cc(C[N@@H+]3CCC[C@H](Nc4ccc(F)cc4)C3)nc12 ZINC000072174205 216064995 /nfs/dbraw/zinc/06/49/95/216064995.db2.gz GWEIHXUIQFTLCV-SFHVURJKSA-N 1 1 338.430 3.858 50 0 EHAAMO Cc1cccn2cc(C[N@H+]3CCC[C@H](Nc4ccc(F)cc4)C3)nc12 ZINC000072174205 216064998 /nfs/dbraw/zinc/06/49/98/216064998.db2.gz GWEIHXUIQFTLCV-SFHVURJKSA-N 1 1 338.430 3.858 50 0 EHAAMO C[N@H+](Cc1c[nH]c(CC2CCCC2)n1)Cc1cccc(-n2cccn2)c1 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CBAHOTVHHZPSEG-SFHVURJKSA-N 1 1 344.455 3.881 50 0 EHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000015860049 563796546 /nfs/dbraw/zinc/79/65/46/563796546.db2.gz LIKQTJMJSPXANV-MRXNPFEDSA-N 1 1 332.831 3.890 50 0 EHAAMO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000018265733 563852011 /nfs/dbraw/zinc/85/20/11/563852011.db2.gz AGZZRVHGQLMULC-UHFFFAOYSA-N 1 1 339.508 3.818 50 0 EHAAMO CN(C(=O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCc2ccccc21 ZINC000025447705 563885173 /nfs/dbraw/zinc/88/51/73/563885173.db2.gz LDTMQDLKJQSRPR-NRFANRHFSA-N 1 1 334.463 3.581 50 0 EHAAMO CN(C(=O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCc2ccccc21 ZINC000025447705 563885174 /nfs/dbraw/zinc/88/51/74/563885174.db2.gz LDTMQDLKJQSRPR-NRFANRHFSA-N 1 1 334.463 3.581 50 0 EHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000026299585 563890791 /nfs/dbraw/zinc/89/07/91/563890791.db2.gz QCHYFPRHVLVHIN-CQSZACIVSA-N 1 1 333.395 3.602 50 0 EHAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1ccco1 ZINC000027663741 563898592 /nfs/dbraw/zinc/89/85/92/563898592.db2.gz VVFCXSHIMKVYJX-INIZCTEOSA-N 1 1 332.831 3.890 50 0 EHAAMO O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)NCC1(c2ccccc2)CC1 ZINC000072284969 563906383 /nfs/dbraw/zinc/90/63/83/563906383.db2.gz NCHWXQHXASSVKG-OAQYLSRUSA-N 1 1 338.495 3.657 50 0 EHAAMO C[N@@H+]1CCN(C(=O)CCc2cc3ccccc3o2)[C@@H](c2ccccc2)C1 ZINC000030030326 563909406 /nfs/dbraw/zinc/90/94/06/563909406.db2.gz IZAQKRKOZMOCSB-HXUWFJFHSA-N 1 1 348.446 3.881 50 0 EHAAMO C[N@H+]1CCN(C(=O)CCc2cc3ccccc3o2)[C@@H](c2ccccc2)C1 ZINC000030030326 563909407 /nfs/dbraw/zinc/90/94/07/563909407.db2.gz IZAQKRKOZMOCSB-HXUWFJFHSA-N 1 1 348.446 3.881 50 0 EHAAMO C[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc2ccccc21 ZINC000058162120 563938521 /nfs/dbraw/zinc/93/85/21/563938521.db2.gz SZDSTBGHJAGHNT-INIZCTEOSA-N 1 1 337.467 3.781 50 0 EHAAMO C[C@H](Nc1cc[nH+]c2ccsc21)c1ccc(S(C)(=O)=O)cc1 ZINC000096427295 563952164 /nfs/dbraw/zinc/95/21/64/563952164.db2.gz OKQUGOQIOKABHZ-NSHDSACASA-N 1 1 332.450 3.873 50 0 EHAAMO Cc1ccc(C[N@@H+](CCCO)Cc2cccc3cnccc32)s1 ZINC000063834105 563956044 /nfs/dbraw/zinc/95/60/44/563956044.db2.gz IVPKFOJGCLWPDI-UHFFFAOYSA-N 1 1 326.465 3.989 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1cccn1-c1cccnc1)C(C)C ZINC000063857757 563956259 /nfs/dbraw/zinc/95/62/59/563956259.db2.gz GIIFXFRWHRBJHQ-UHFFFAOYSA-N 1 1 337.471 3.633 50 0 EHAAMO C[N@@H+](CCC(=O)NC1CCCCC1)Cc1cccc2ncccc12 ZINC000065398955 563959839 /nfs/dbraw/zinc/95/98/39/563959839.db2.gz CFVWGISHALXASI-UHFFFAOYSA-N 1 1 325.456 3.506 50 0 EHAAMO CCn1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)n1 ZINC000065426363 563960637 /nfs/dbraw/zinc/96/06/37/563960637.db2.gz DCBPNIIUCQROIN-FCHUYYIVSA-N 1 1 349.478 3.715 50 0 EHAAMO Cc1[nH+]ccn1CCCc1nc(C2CC2)nn1-c1ccc(Cl)cc1 ZINC000065435720 563960939 /nfs/dbraw/zinc/96/09/39/563960939.db2.gz OTCDFRSPPWPCMF-UHFFFAOYSA-N 1 1 341.846 3.936 50 0 EHAAMO CC(C)[C@@H]1C[N@@H+](CCCCF)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071552272 563964560 /nfs/dbraw/zinc/96/45/60/563964560.db2.gz GGUXTZZSRIPPCW-SFHVURJKSA-N 1 1 338.442 3.634 50 0 EHAAMO CCCOCC[N@@H+]1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747345 563965000 /nfs/dbraw/zinc/96/50/00/563965000.db2.gz FKHWMZMDFUIZED-HXUWFJFHSA-N 1 1 329.440 3.648 50 0 EHAAMO CCCOCC[N@H+]1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747345 563965001 /nfs/dbraw/zinc/96/50/01/563965001.db2.gz FKHWMZMDFUIZED-HXUWFJFHSA-N 1 1 329.440 3.648 50 0 EHAAMO CC(C)(O)C[N@H+]1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071746983 563965009 /nfs/dbraw/zinc/96/50/09/563965009.db2.gz HWEXCJGGAIQLDD-FQEVSTJZSA-N 1 1 339.479 3.680 50 0 EHAAMO CC(C)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCC[N@H+]1CC1CC1 ZINC000071748102 563965037 /nfs/dbraw/zinc/96/50/37/563965037.db2.gz DOLMULJDBJDOPY-FQEVSTJZSA-N 1 1 339.483 3.750 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1F ZINC000077323820 563969000 /nfs/dbraw/zinc/96/90/00/563969000.db2.gz PORBKDSCWZSNOG-HXUWFJFHSA-N 1 1 348.437 3.640 50 0 EHAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CN1C1CC1 ZINC000077343382 563969089 /nfs/dbraw/zinc/96/90/89/563969089.db2.gz CLQJLCIODHGLAZ-OAQYLSRUSA-N 1 1 337.467 3.535 50 0 EHAAMO CC(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000077375489 563969213 /nfs/dbraw/zinc/96/92/13/563969213.db2.gz RMRQYKYFOPIFPE-QGZVFWFLSA-N 1 1 337.427 3.716 50 0 EHAAMO CC(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000077375489 563969214 /nfs/dbraw/zinc/96/92/14/563969214.db2.gz RMRQYKYFOPIFPE-QGZVFWFLSA-N 1 1 337.427 3.716 50 0 EHAAMO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000585142391 563973435 /nfs/dbraw/zinc/97/34/35/563973435.db2.gz VYIZIDCSFYRVCD-QMMMGPOBSA-N 1 1 346.784 3.955 50 0 EHAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCOc1ccc(O)cc1 ZINC000072289479 563976326 /nfs/dbraw/zinc/97/63/26/563976326.db2.gz PNVVZTZIIHGQFE-LBPRGKRZSA-N 1 1 345.424 3.576 50 0 EHAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCOc1ccc(O)cc1 ZINC000072289479 563976327 /nfs/dbraw/zinc/97/63/27/563976327.db2.gz PNVVZTZIIHGQFE-LBPRGKRZSA-N 1 1 345.424 3.576 50 0 EHAAMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000095522110 563977425 /nfs/dbraw/zinc/97/74/25/563977425.db2.gz OHPHRKNKFWZYPA-HXUWFJFHSA-N 1 1 334.423 3.685 50 0 EHAAMO CSCCc1nc(C[C@@H](C)n2cc[nH+]c2C)n(C2CCCCC2)n1 ZINC000096132010 563979398 /nfs/dbraw/zinc/97/93/98/563979398.db2.gz IQETYYRMCLIKAG-CQSZACIVSA-N 1 1 347.532 3.997 50 0 EHAAMO C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@H+]1C ZINC000182863327 564001264 /nfs/dbraw/zinc/00/12/64/564001264.db2.gz WOAVPRXAFSJWMU-VQIMIIECSA-N 1 1 344.503 3.989 50 0 EHAAMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000062581989 564006547 /nfs/dbraw/zinc/00/65/47/564006547.db2.gz VIWCQHZSXXODEC-AWEZNQCLSA-N 1 1 335.373 3.984 50 0 EHAAMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc(-n2ccnc2)c1 ZINC000189893949 564016548 /nfs/dbraw/zinc/01/65/48/564016548.db2.gz DMZQVTZIGSCWIF-HNNXBMFYSA-N 1 1 345.406 3.773 50 0 EHAAMO C[N@H+](CC(=O)Nc1c2c(nc3ccccc31)CCC2)Cc1ccccc1 ZINC000000517562 564020480 /nfs/dbraw/zinc/02/04/80/564020480.db2.gz CXNKZFHCAXWXIJ-UHFFFAOYSA-N 1 1 345.446 3.794 50 0 biogenic EHAAMO C[N@@H+](CC(=O)Nc1c2c(nc3ccccc31)CCC2)Cc1ccccc1 ZINC000000517562 564020481 /nfs/dbraw/zinc/02/04/81/564020481.db2.gz CXNKZFHCAXWXIJ-UHFFFAOYSA-N 1 1 345.446 3.794 50 0 biogenic EHAAMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000015184703 564024040 /nfs/dbraw/zinc/02/40/40/564024040.db2.gz JTRFTCPBCNWVFF-CQSZACIVSA-N 1 1 345.439 3.880 50 0 EHAAMO Cc1[nH+]cn(CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)c1C ZINC000215946865 564033748 /nfs/dbraw/zinc/03/37/48/564033748.db2.gz MEVHVDLSWDCBKS-UHFFFAOYSA-N 1 1 345.752 3.602 50 0 EHAAMO COc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007914502 564034576 /nfs/dbraw/zinc/03/45/76/564034576.db2.gz HTDBRZCCAMGITH-LBPRGKRZSA-N 1 1 329.425 4.000 50 0 EHAAMO COc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007914502 564034577 /nfs/dbraw/zinc/03/45/77/564034577.db2.gz HTDBRZCCAMGITH-LBPRGKRZSA-N 1 1 329.425 4.000 50 0 EHAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000222291154 564036776 /nfs/dbraw/zinc/03/67/76/564036776.db2.gz CJUATAKIBQBBEQ-RDJZCZTQSA-N 1 1 334.423 3.757 50 0 EHAAMO C[N@H+](Cc1cccc(F)c1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000225408248 564046457 /nfs/dbraw/zinc/04/64/57/564046457.db2.gz HOEUYZJCWZAZDE-HNNXBMFYSA-N 1 1 340.414 3.700 50 0 EHAAMO C[N@@H+](Cc1cccc(F)c1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000225408248 564046458 /nfs/dbraw/zinc/04/64/58/564046458.db2.gz HOEUYZJCWZAZDE-HNNXBMFYSA-N 1 1 340.414 3.700 50 0 EHAAMO CCOc1ccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CCCC2)cc1 ZINC000534655209 564061436 /nfs/dbraw/zinc/06/14/36/564061436.db2.gz AMEUOCWGPSAMJD-MRXNPFEDSA-N 1 1 347.503 3.662 50 0 EHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012756617 564067328 /nfs/dbraw/zinc/06/73/28/564067328.db2.gz MUBWPVUEIFXKDS-IBGZPJMESA-N 1 1 325.408 3.819 50 0 EHAAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084200152 564067358 /nfs/dbraw/zinc/06/73/58/564067358.db2.gz SKCLLAYNYOHHQW-HOTGVXAUSA-N 1 1 342.549 3.849 50 0 EHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000012772178 564068983 /nfs/dbraw/zinc/06/89/83/564068983.db2.gz MVQIELKCOFXJMV-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000012772178 564068984 /nfs/dbraw/zinc/06/89/84/564068984.db2.gz MVQIELKCOFXJMV-GOSISDBHSA-N 1 1 346.377 3.749 50 0 EHAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)NCc2cccs2)CC1 ZINC000085436359 564073205 /nfs/dbraw/zinc/07/32/05/564073205.db2.gz WJDBGAHOZWFDNG-UHFFFAOYSA-N 1 1 346.500 3.690 50 0 EHAAMO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000248627496 564075517 /nfs/dbraw/zinc/07/55/17/564075517.db2.gz QCNAYWGTQWLYAL-ZIAGYGMSSA-N 1 1 328.485 3.753 50 0 EHAAMO Cc1ccccc1-c1cccc(C[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000075128295 564080477 /nfs/dbraw/zinc/08/04/77/564080477.db2.gz SGJGXSLUPONBNH-UHFFFAOYSA-N 1 1 332.451 3.880 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000075132454 564080500 /nfs/dbraw/zinc/08/05/00/564080500.db2.gz RZHDVWKTOBRBSW-LJQANCHMSA-N 1 1 335.455 3.560 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000075132454 564080501 /nfs/dbraw/zinc/08/05/01/564080501.db2.gz RZHDVWKTOBRBSW-LJQANCHMSA-N 1 1 335.455 3.560 50 0 EHAAMO Brc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)o1 ZINC000006599592 564092584 /nfs/dbraw/zinc/09/25/84/564092584.db2.gz ROVDJGSWVWVURM-UHFFFAOYSA-N 1 1 349.272 3.796 50 0 EHAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC000006605403 564093115 /nfs/dbraw/zinc/09/31/15/564093115.db2.gz TZCTZRCNJIEPCK-UONOGXRCSA-N 1 1 336.863 3.799 50 0 EHAAMO Cc1cnccc1-c1cccc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426486410 564093888 /nfs/dbraw/zinc/09/38/88/564093888.db2.gz PMDPGGFLLQLCSN-KRWDZBQOSA-N 1 1 349.478 3.756 50 0 EHAAMO O=C(NCC1CCCCC1)C1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000064818100 564096529 /nfs/dbraw/zinc/09/65/29/564096529.db2.gz MOOKXAKXOBGLEX-UHFFFAOYSA-N 1 1 330.447 3.654 50 0 EHAAMO CCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000006784272 564097676 /nfs/dbraw/zinc/09/76/76/564097676.db2.gz ATDAZNPVVYVIPX-MRXNPFEDSA-N 1 1 343.452 3.564 50 0 EHAAMO CCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000006784272 564097677 /nfs/dbraw/zinc/09/76/77/564097677.db2.gz ATDAZNPVVYVIPX-MRXNPFEDSA-N 1 1 343.452 3.564 50 0 EHAAMO CC(C)c1nc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2o1 ZINC000064968370 564098737 /nfs/dbraw/zinc/09/87/37/564098737.db2.gz CHJPPIZFEUZJCO-AWEZNQCLSA-N 1 1 329.444 3.555 50 0 EHAAMO Cn1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c(C(F)F)n1 ZINC000170598069 564109196 /nfs/dbraw/zinc/10/91/96/564109196.db2.gz IIAATOBMKDOMPA-CYBMUJFWSA-N 1 1 337.439 3.972 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249679994 564111693 /nfs/dbraw/zinc/11/16/93/564111693.db2.gz AAZAVONODRBHGA-JONQDZQNSA-N 1 1 346.437 3.830 50 0 EHAAMO Cc1cccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000089672769 564113027 /nfs/dbraw/zinc/11/30/27/564113027.db2.gz MGMJKESXAXSAOT-UHFFFAOYSA-N 1 1 330.859 3.849 50 0 EHAAMO c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCCOc3ccccc32)n1 ZINC000089841135 564114213 /nfs/dbraw/zinc/11/42/13/564114213.db2.gz PNUMSKYZNPKRNU-LJQANCHMSA-N 1 1 333.435 3.935 50 0 EHAAMO C[C@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1 ZINC000089913634 564115227 /nfs/dbraw/zinc/11/52/27/564115227.db2.gz HISGDSNTYICREI-GXTWGEPZSA-N 1 1 343.475 3.669 50 0 EHAAMO CC(C)C(=O)NC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000170633015 564116382 /nfs/dbraw/zinc/11/63/82/564116382.db2.gz XMEZNTWYUGFBCB-UHFFFAOYSA-N 1 1 331.847 3.629 50 0 EHAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500757 564119851 /nfs/dbraw/zinc/11/98/51/564119851.db2.gz TVALGJWBVOLPHO-QXAKKESOSA-N 1 1 346.540 3.755 50 0 EHAAMO Cc1ncc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 ZINC000252512448 564120149 /nfs/dbraw/zinc/12/01/49/564120149.db2.gz QRLBGJFZDVIPCA-CABCVRRESA-N 1 1 343.279 3.848 50 0 EHAAMO Cc1ncc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 ZINC000252512448 564120150 /nfs/dbraw/zinc/12/01/50/564120150.db2.gz QRLBGJFZDVIPCA-CABCVRRESA-N 1 1 343.279 3.848 50 0 EHAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007687041 564121923 /nfs/dbraw/zinc/12/19/23/564121923.db2.gz XXBWJCAYGKKPPV-UHFFFAOYSA-N 1 1 332.831 3.809 50 0 EHAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007687041 564121924 /nfs/dbraw/zinc/12/19/24/564121924.db2.gz XXBWJCAYGKKPPV-UHFFFAOYSA-N 1 1 332.831 3.809 50 0 EHAAMO CCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065909675 564122189 /nfs/dbraw/zinc/12/21/89/564122189.db2.gz YEMCEUMIDQOUBW-UHFFFAOYSA-N 1 1 342.405 3.928 50 0 EHAAMO COCC1(CNC(=O)c2ccc(-c3[nH+]c(C)[nH]c3C)cc2)CCCC1 ZINC000584898125 564131696 /nfs/dbraw/zinc/13/16/96/564131696.db2.gz LLOSAGVYEFIBPA-UHFFFAOYSA-N 1 1 341.455 3.630 50 0 EHAAMO COc1cccc(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000013142160 564136061 /nfs/dbraw/zinc/13/60/61/564136061.db2.gz HVRINZSEISPUSB-MSOLQXFVSA-N 1 1 329.827 3.877 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 ZINC000095394964 564139417 /nfs/dbraw/zinc/13/94/17/564139417.db2.gz AIUAJTHNZXYZLW-HXUWFJFHSA-N 1 1 337.423 3.985 50 0 EHAAMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)CSCc1ccccc1 ZINC000095431012 564140337 /nfs/dbraw/zinc/14/03/37/564140337.db2.gz SCXNVJPINXFTCM-INIZCTEOSA-N 1 1 345.512 3.657 50 0 EHAAMO CCc1ccccc1NC(=O)C[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000095940804 564142013 /nfs/dbraw/zinc/14/20/13/564142013.db2.gz FPKCVMBDZGJWFH-INIZCTEOSA-N 1 1 325.456 3.536 50 0 EHAAMO CCc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(C)cc1O ZINC000095996990 564144275 /nfs/dbraw/zinc/14/42/75/564144275.db2.gz SCFVBHPICGTROJ-UHFFFAOYSA-N 1 1 341.451 3.839 50 0 EHAAMO CC[N@@H+](Cc1cccs1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000057318507 564153589 /nfs/dbraw/zinc/15/35/89/564153589.db2.gz UDKVJROITWCYQS-UHFFFAOYSA-N 1 1 329.421 3.885 50 0 EHAAMO COc1c(C[NH2+][C@H]2CCCOc3ccccc32)c(C(C)C)nn1C ZINC000058393331 564158986 /nfs/dbraw/zinc/15/89/86/564158986.db2.gz QEMFFJWVDPIDMG-INIZCTEOSA-N 1 1 329.444 3.556 50 0 EHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000032398784 564161348 /nfs/dbraw/zinc/16/13/48/564161348.db2.gz CTSJZHVMJXYXHJ-UHFFFAOYSA-N 1 1 328.843 3.518 50 0 EHAAMO C[C@H](CNC(=O)c1cc2ccccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000032428236 564161411 /nfs/dbraw/zinc/16/14/11/564161411.db2.gz LHULDFKPVFAAQC-CYBMUJFWSA-N 1 1 340.448 3.671 50 0 EHAAMO C[C@H](CNC(=O)c1cc2ccccc2o1)[N@H+]1CCc2sccc2C1 ZINC000032428236 564161412 /nfs/dbraw/zinc/16/14/12/564161412.db2.gz LHULDFKPVFAAQC-CYBMUJFWSA-N 1 1 340.448 3.671 50 0 EHAAMO CC(C)CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000008037436 564162328 /nfs/dbraw/zinc/16/23/28/564162328.db2.gz WWGWJOHBDMYLBT-SFHVURJKSA-N 1 1 344.455 3.737 50 0 EHAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000069485730 564169812 /nfs/dbraw/zinc/16/98/12/564169812.db2.gz MCTJOVGINRSMSP-HOCLYGCPSA-N 1 1 342.405 3.569 50 0 EHAAMO Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000069630126 564171066 /nfs/dbraw/zinc/17/10/66/564171066.db2.gz NIXSRPIHELLZIW-OAHLLOKOSA-N 1 1 338.386 3.650 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 ZINC000069742095 564171885 /nfs/dbraw/zinc/17/18/85/564171885.db2.gz YOEKYAGDXNIHPK-CQSZACIVSA-N 1 1 329.469 3.609 50 0 EHAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000069742173 564171914 /nfs/dbraw/zinc/17/19/14/564171914.db2.gz AZDULEKUWNSXQL-SFHVURJKSA-N 1 1 341.430 3.616 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)C1 ZINC000071870815 564176171 /nfs/dbraw/zinc/17/61/71/564176171.db2.gz LNEWLEVAAXETEU-PMPSAXMXSA-N 1 1 343.496 3.783 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875797 564176241 /nfs/dbraw/zinc/17/62/41/564176241.db2.gz ZENAVBRTERWJAQ-OAHLLOKOSA-N 1 1 328.441 3.573 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000071875797 564176242 /nfs/dbraw/zinc/17/62/42/564176242.db2.gz ZENAVBRTERWJAQ-OAHLLOKOSA-N 1 1 328.441 3.573 50 0 EHAAMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000096635239 1032351401 /nfs/dbraw/zinc/35/14/01/1032351401.db2.gz ZQQSNXDRBULUOO-MPYGFJLXSA-N 1 1 333.472 3.733 50 0 EHAAMO CC(C)[N@H+]1CC2(CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000257188321 1032706455 /nfs/dbraw/zinc/70/64/55/1032706455.db2.gz MOQRLZMLYCRPHC-IBGZPJMESA-N 1 1 338.451 3.967 50 0 EHAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078363 1017588829 /nfs/dbraw/zinc/58/88/29/1017588829.db2.gz FUTZHFNMNGFUOM-GCJKJVERSA-N 1 1 336.479 3.934 50 0 EHAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078371 1017589171 /nfs/dbraw/zinc/58/91/71/1017589171.db2.gz FUTZHFNMNGFUOM-PGRDOPGGSA-N 1 1 336.479 3.934 50 0 EHAAMO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nc(-c2ccco2)no1 ZINC000052457972 1018956638 /nfs/dbraw/zinc/95/66/38/1018956638.db2.gz GVQCRKBVLPAWQK-UHFFFAOYSA-N 1 1 347.802 3.884 50 0 EHAAMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nc(-c2ccco2)no1 ZINC000052457972 1018956650 /nfs/dbraw/zinc/95/66/50/1018956650.db2.gz GVQCRKBVLPAWQK-UHFFFAOYSA-N 1 1 347.802 3.884 50 0 EHAAMO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@H+]1C1CCCC1 ZINC000022932602 1026446393 /nfs/dbraw/zinc/44/63/93/1026446393.db2.gz QGZBQKDNTGJNSX-BKHFDQEPSA-N 1 1 348.918 3.578 50 0 EHAAMO O=C(Nc1ccccc1OC1CCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171524267 1034439056 /nfs/dbraw/zinc/43/90/56/1034439056.db2.gz MXWCZSINWLDJSH-INIZCTEOSA-N 1 1 343.471 3.710 50 0 EHAAMO Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)CCCc2ccccc2)n1C ZINC000257177566 1034710491 /nfs/dbraw/zinc/71/04/91/1034710491.db2.gz XDZUXSOROHOLKW-IBGZPJMESA-N 1 1 339.483 3.675 50 0 EHAAMO COCc1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000888102133 1043288121 /nfs/dbraw/zinc/28/81/21/1043288121.db2.gz DHERQZZJXIIXQI-MRXNPFEDSA-N 1 1 344.480 3.745 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[N@H+](C)Cc1cccs1 ZINC000007845974 1123862293 /nfs/dbraw/zinc/86/22/93/1123862293.db2.gz MDNCORLJMQCMFK-VIFPVBQESA-N 1 1 328.359 3.624 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[N@@H+](C)Cc1cccs1 ZINC000007845974 1123862296 /nfs/dbraw/zinc/86/22/96/1123862296.db2.gz MDNCORLJMQCMFK-VIFPVBQESA-N 1 1 328.359 3.624 50 0 EHAAMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1nc3ccccc3n1C)OCO2 ZINC000825151065 1131253910 /nfs/dbraw/zinc/25/39/10/1131253910.db2.gz FFVKGKDYPVTUIE-GOSISDBHSA-N 1 1 349.434 3.948 50 0 EHAAMO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1nc3ccccc3n1C)OCO2 ZINC000825151065 1131253914 /nfs/dbraw/zinc/25/39/14/1131253914.db2.gz FFVKGKDYPVTUIE-GOSISDBHSA-N 1 1 349.434 3.948 50 0 EHAAMO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000012763619 1129460199 /nfs/dbraw/zinc/46/01/99/1129460199.db2.gz JLOUNMNXJGAAJD-NRFANRHFSA-N 1 1 338.451 3.657 50 0 EHAAMO COc1ccc2[nH]c(C[N@@H+](CCCO)Cc3cccs3)c(C)c2c1 ZINC000828752909 1131444261 /nfs/dbraw/zinc/44/42/61/1131444261.db2.gz MJAFIUXCTUZXPU-UHFFFAOYSA-N 1 1 344.480 3.931 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)c2ccncc2)n1C1CCCCCCC1 ZINC000581816197 1132371856 /nfs/dbraw/zinc/37/18/56/1132371856.db2.gz NQMRPMCFEFKNJV-UHFFFAOYSA-N 1 1 340.471 3.844 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)NCc2ccc(C)cc2)n1C1CCCC1 ZINC000581815512 1132372860 /nfs/dbraw/zinc/37/28/60/1132372860.db2.gz LRMLCYCNPJXBNS-UHFFFAOYSA-N 1 1 340.471 3.657 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)c2ccc3ccccc3n2)n1C1CCCC1 ZINC000581815791 1132372919 /nfs/dbraw/zinc/37/29/19/1132372919.db2.gz RELDBJLIAAIYGQ-UHFFFAOYSA-N 1 1 348.450 3.827 50 0 EHAAMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cccnc1N(C)C ZINC000585084380 1136973132 /nfs/dbraw/zinc/97/31/32/1136973132.db2.gz TYXSWJRDUQKXNQ-LJQANCHMSA-N 1 1 325.456 3.666 50 0 EHAAMO Brc1ccsc1C[NH2+]Cc1scc2c1OCCO2 ZINC000585118349 1137009177 /nfs/dbraw/zinc/00/91/77/1137009177.db2.gz LHOPMWSWGHTFPU-UHFFFAOYSA-N 1 1 346.271 3.633 50 0 EHAAMO CCSc1ncc(C[N@@H+](Cc2ccccc2C)[C@@H](C)COC)cn1 ZINC000952868212 1137482978 /nfs/dbraw/zinc/48/29/78/1137482978.db2.gz FMKOPMZNFFXUDA-INIZCTEOSA-N 1 1 345.512 3.934 50 0 EHAAMO Cc1ccc(-c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)o1 ZINC000952971522 1137484190 /nfs/dbraw/zinc/48/41/90/1137484190.db2.gz ORDLYKAXJIIUNP-KRWDZBQOSA-N 1 1 338.407 3.881 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCSCc1ccccc1Cl ZINC000097637917 219043389 /nfs/dbraw/zinc/04/33/89/219043389.db2.gz JBNKCKHKUOHWQR-MRXNPFEDSA-N 1 1 340.920 3.564 50 0 EHAAMO Cc1cc(NC(=O)CC[N@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000051406996 214092069 /nfs/dbraw/zinc/09/20/69/214092069.db2.gz VARPVCMUGIJPHW-UHFFFAOYSA-N 1 1 342.226 3.750 50 0 EHAAMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000052712614 214140919 /nfs/dbraw/zinc/14/09/19/214140919.db2.gz YWOSRBJZPGTQLQ-UHFFFAOYSA-N 1 1 341.842 3.820 50 0 EHAAMO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000053814318 214200804 /nfs/dbraw/zinc/20/08/04/214200804.db2.gz VMRIGXPIJFPMIP-IBGZPJMESA-N 1 1 328.481 3.828 50 0 EHAAMO CCn1c(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000054041121 214212572 /nfs/dbraw/zinc/21/25/72/214212572.db2.gz QTNWGFPWRFRULP-AWEZNQCLSA-N 1 1 337.423 3.678 50 0 EHAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@H]1c1cc(C)no1)=C2 ZINC000097713576 219050438 /nfs/dbraw/zinc/05/04/38/219050438.db2.gz AECXIIGAQXGMDU-INIZCTEOSA-N 1 1 326.396 3.605 50 0 EHAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(NC(C)=O)cc1 ZINC000055182716 214284574 /nfs/dbraw/zinc/28/45/74/214284574.db2.gz ZQLVPNVUHSJDBA-UHFFFAOYSA-N 1 1 326.440 3.602 50 0 EHAAMO CCC[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000058172483 214491914 /nfs/dbraw/zinc/49/19/14/214491914.db2.gz KIMJLXXABLRBFO-UHFFFAOYSA-N 1 1 340.492 3.682 50 0 EHAAMO CC(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000004476877 210196067 /nfs/dbraw/zinc/19/60/67/210196067.db2.gz BHDBZQUJGHTPQH-KRWDZBQOSA-N 1 1 327.476 3.737 50 0 EHAAMO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccco3)C2)cc1C ZINC000067676066 215182361 /nfs/dbraw/zinc/18/23/61/215182361.db2.gz SYHAGSPWSGGBDP-MRXNPFEDSA-N 1 1 327.428 3.540 50 0 EHAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069325890 215378560 /nfs/dbraw/zinc/37/85/60/215378560.db2.gz QAJQMZPHLNQYEM-SFHVURJKSA-N 1 1 328.843 3.621 50 0 EHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000069377224 215393833 /nfs/dbraw/zinc/39/38/33/215393833.db2.gz CUYYIPTWALRXFD-SOLBZPMBSA-N 1 1 337.467 3.712 50 0 EHAAMO CC(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000000819314 209690634 /nfs/dbraw/zinc/69/06/34/209690634.db2.gz DDLRTTCQZOHKPS-UHFFFAOYSA-N 1 1 329.271 3.730 50 0 EHAAMO CCOc1ccc(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036847556 213123191 /nfs/dbraw/zinc/12/31/91/213123191.db2.gz OHQMANMYSVAPKK-GJZGRUSLSA-N 1 1 335.517 3.635 50 0 EHAAMO CN1C[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)OC1=O ZINC000072429832 216222742 /nfs/dbraw/zinc/22/27/42/216222742.db2.gz QOYQJKUVFLEIOK-OAQYLSRUSA-N 1 1 336.435 3.770 50 0 EHAAMO C[C@@H](O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072438664 216234466 /nfs/dbraw/zinc/23/44/66/216234466.db2.gz GRAQQGQJDLBUCX-MRXNPFEDSA-N 1 1 341.499 3.947 50 0 EHAAMO c1ccc(C[N@H+]2CCC[C@H](Nc3nccc(C4CCCC4)n3)C2)nc1 ZINC000072474710 216252069 /nfs/dbraw/zinc/25/20/69/216252069.db2.gz PZZSYKBLSHVZEV-SFHVURJKSA-N 1 1 337.471 3.606 50 0 EHAAMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000073104292 216350445 /nfs/dbraw/zinc/35/04/45/216350445.db2.gz LZMNIUSXWXUGHX-YESZJQIVSA-N 1 1 342.483 3.659 50 0 EHAAMO COc1ccc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1F ZINC000023373125 212372092 /nfs/dbraw/zinc/37/20/92/212372092.db2.gz MTTNCEAOECIPGF-GOSISDBHSA-N 1 1 334.479 3.969 50 0 EHAAMO COc1ccc(C[NH2+][C@@H]2CCCN(CC3CCCCC3)C2)cc1F ZINC000023373125 212372094 /nfs/dbraw/zinc/37/20/94/212372094.db2.gz MTTNCEAOECIPGF-GOSISDBHSA-N 1 1 334.479 3.969 50 0 EHAAMO O=C(Nc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022998000 212340661 /nfs/dbraw/zinc/34/06/61/212340661.db2.gz KRPVVJCIAODAME-UHFFFAOYSA-N 1 1 334.423 3.518 50 0 EHAAMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4cccc(Cl)c4n3)C2)no1 ZINC000216304245 241179824 /nfs/dbraw/zinc/17/98/24/241179824.db2.gz PVABQHPRNRMGNE-AWEZNQCLSA-N 1 1 342.830 3.959 50 0 EHAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4cccc(Cl)c4n3)C2)no1 ZINC000216304245 241179825 /nfs/dbraw/zinc/17/98/25/241179825.db2.gz PVABQHPRNRMGNE-AWEZNQCLSA-N 1 1 342.830 3.959 50 0 EHAAMO OCCC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216311631 241182394 /nfs/dbraw/zinc/18/23/94/241182394.db2.gz NBMVZKBJRYYVFC-GOSISDBHSA-N 1 1 345.874 3.924 50 0 EHAAMO COCC[N@H+](Cc1ccccc1-c1ccc(C)o1)C[C@@H]1CCCO1 ZINC000216523331 241197968 /nfs/dbraw/zinc/19/79/68/241197968.db2.gz YWMNXMIUZQOKJP-SFHVURJKSA-N 1 1 329.440 3.882 50 0 EHAAMO Cc1[nH+]ccn1CCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000223091933 241600289 /nfs/dbraw/zinc/60/02/89/241600289.db2.gz PPBJJHQYBZIAOH-UHFFFAOYSA-N 1 1 335.407 3.804 50 0 EHAAMO Cc1ccc(C)c(NC(=O)NC[C@H]2C[N@H+](C)C[C@@H]2c2cccs2)c1 ZINC000227150495 242121877 /nfs/dbraw/zinc/12/18/77/242121877.db2.gz HQXXJXUBJQJMPH-HOTGVXAUSA-N 1 1 343.496 3.832 50 0 EHAAMO O=c1[nH]c(-c2ccc(F)cc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000021658485 212237943 /nfs/dbraw/zinc/23/79/43/212237943.db2.gz WCGYQKDWCJVWRS-UHFFFAOYSA-N 1 1 335.382 3.547 50 0 EHAAMO O=c1[nH]c(-c2ccc(F)cc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021658485 212237941 /nfs/dbraw/zinc/23/79/41/212237941.db2.gz WCGYQKDWCJVWRS-UHFFFAOYSA-N 1 1 335.382 3.547 50 0 EHAAMO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000229624661 242185539 /nfs/dbraw/zinc/18/55/39/242185539.db2.gz URRAZDDREZGNDJ-TZMCWYRMSA-N 1 1 337.427 3.764 50 0 EHAAMO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000229624661 242185546 /nfs/dbraw/zinc/18/55/46/242185546.db2.gz URRAZDDREZGNDJ-TZMCWYRMSA-N 1 1 337.427 3.764 50 0 EHAAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000229963863 242220120 /nfs/dbraw/zinc/22/01/20/242220120.db2.gz SIWHKQFZCQBYBS-NHYWBVRUSA-N 1 1 342.270 3.941 50 0 EHAAMO C[N@H+]1C[C@H](CNC(=O)Nc2ccccc2Cl)[C@H](c2cccs2)C1 ZINC000230134461 242236869 /nfs/dbraw/zinc/23/68/69/242236869.db2.gz ZQBHOSGLZDBSEY-QWHCGFSZSA-N 1 1 349.887 3.868 50 0 EHAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc2c1CCCC2 ZINC000021175303 212214290 /nfs/dbraw/zinc/21/42/90/212214290.db2.gz ZJOIMZJTKXJFDA-INIZCTEOSA-N 1 1 341.499 3.951 50 0 EHAAMO C[N@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@H]1CCCCO1 ZINC000244773728 243077418 /nfs/dbraw/zinc/07/74/18/243077418.db2.gz PFJHGMJHLSQUHO-MRXNPFEDSA-N 1 1 325.408 3.511 50 0 EHAAMO Fc1ccc(F)c(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000020783653 212171777 /nfs/dbraw/zinc/17/17/77/212171777.db2.gz KBFBIOPKBPODKV-IBGZPJMESA-N 1 1 342.433 3.686 50 0 EHAAMO Fc1ccc(F)c(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000020783653 212171778 /nfs/dbraw/zinc/17/17/78/212171778.db2.gz KBFBIOPKBPODKV-IBGZPJMESA-N 1 1 342.433 3.686 50 0 EHAAMO C[C@H](C(=O)Nc1ccccn1)[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000244828512 243087953 /nfs/dbraw/zinc/08/79/53/243087953.db2.gz TXLICKKRYFLTGT-CYBMUJFWSA-N 1 1 329.831 3.727 50 0 EHAAMO C[C@H](C(=O)Nc1ccccn1)[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000244828512 243087960 /nfs/dbraw/zinc/08/79/60/243087960.db2.gz TXLICKKRYFLTGT-CYBMUJFWSA-N 1 1 329.831 3.727 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(F)c1F)[NH2+]CC2 ZINC000020506997 212141505 /nfs/dbraw/zinc/14/15/05/212141505.db2.gz ZYLVZISPGHPFAC-LJQANCHMSA-N 1 1 333.378 3.997 50 0 biogenic,in-vitro EHAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000049581328 214020274 /nfs/dbraw/zinc/02/02/74/214020274.db2.gz PPUJVWBPSGBIEB-ROUUACIJSA-N 1 1 340.467 3.572 50 0 EHAAMO c1cc(C2CCCC2)sc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019225600 212007434 /nfs/dbraw/zinc/00/74/34/212007434.db2.gz QLQUJIKZMHWSTQ-QGZVFWFLSA-N 1 1 334.529 3.702 50 0 EHAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc2cccnc21 ZINC000078710392 217107013 /nfs/dbraw/zinc/10/70/13/217107013.db2.gz BRUGCAKOFNCNEL-UHFFFAOYSA-N 1 1 342.402 3.659 50 0 EHAAMO O=C(CC[N@H+]1CCO[C@H]2CCC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000079354309 217213415 /nfs/dbraw/zinc/21/34/15/217213415.db2.gz QBNJXXSBQIQISL-KBPBESRZSA-N 1 1 343.254 3.575 50 0 EHAAMO CSCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012457541 211388648 /nfs/dbraw/zinc/38/86/48/211388648.db2.gz SLDGDGCSRGQPFI-IBGZPJMESA-N 1 1 348.556 3.719 50 0 EHAAMO CCN(CC)c1ncccc1C[NH2+]Cc1c[nH]nc1C1CCCCC1 ZINC000012442961 211385222 /nfs/dbraw/zinc/38/52/22/211385222.db2.gz LVCGPIGYUPLMHQ-UHFFFAOYSA-N 1 1 341.503 3.988 50 0 EHAAMO C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012443723 211384737 /nfs/dbraw/zinc/38/47/37/211384737.db2.gz MLXSETSLNLJVDP-IAILITGJSA-N 1 1 348.437 3.746 50 0 EHAAMO CCCC[N@@H+](C)Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O ZINC000012244308 211330624 /nfs/dbraw/zinc/33/06/24/211330624.db2.gz AZRKVWLAFRPZJZ-UHFFFAOYSA-N 1 1 349.478 3.985 50 0 EHAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)NC1CC1 ZINC000012092846 211290151 /nfs/dbraw/zinc/29/01/51/211290151.db2.gz XFDUVTNYDSOTKB-LBPRGKRZSA-N 1 1 326.893 3.672 50 0 EHAAMO CC[C@H]1C[N@@H+](Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 ZINC000012049110 211282563 /nfs/dbraw/zinc/28/25/63/211282563.db2.gz NZUJGDKYJDYYPG-KRWDZBQOSA-N 1 1 349.434 3.812 50 0 EHAAMO COCc1ccc(C[NH2+]Cc2cccnc2N2CCCCCCC2)o1 ZINC000011814410 211250602 /nfs/dbraw/zinc/25/06/02/211250602.db2.gz NXFXBCKMZOQLPK-UHFFFAOYSA-N 1 1 343.471 3.881 50 0 EHAAMO O=C(CCc1cccc(F)c1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011662868 211230504 /nfs/dbraw/zinc/23/05/04/211230504.db2.gz SQJQHHWZHHSWTR-HXUWFJFHSA-N 1 1 346.490 3.919 50 0 EHAAMO O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000093440834 218225771 /nfs/dbraw/zinc/22/57/71/218225771.db2.gz FHLFHIXOPKXSHY-UHFFFAOYSA-N 1 1 349.352 3.904 50 0 EHAAMO C[N@H+](CCc1ccncc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009157642 211047699 /nfs/dbraw/zinc/04/76/99/211047699.db2.gz OAIGXMTUTUHACF-UHFFFAOYSA-N 1 1 338.238 3.501 50 0 EHAAMO C[N@@H+](CCc1ccncc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009157642 211047702 /nfs/dbraw/zinc/04/77/02/211047702.db2.gz OAIGXMTUTUHACF-UHFFFAOYSA-N 1 1 338.238 3.501 50 0 EHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000095356221 218289202 /nfs/dbraw/zinc/28/92/02/218289202.db2.gz GUTSYZWXZMHQSF-GOSISDBHSA-N 1 1 343.496 3.546 50 0 EHAAMO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)c1 ZINC000095420985 218361722 /nfs/dbraw/zinc/36/17/22/218361722.db2.gz HBQZGMYZPOWGDU-LBPRGKRZSA-N 1 1 332.831 3.559 50 0 EHAAMO CCc1[nH+]ccn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000095441062 218385273 /nfs/dbraw/zinc/38/52/73/218385273.db2.gz ZVZKPZNMXQDZPR-UHFFFAOYSA-N 1 1 331.725 3.756 50 0 EHAAMO COCC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000006583765 210658000 /nfs/dbraw/zinc/65/80/00/210658000.db2.gz FQAQSMRHKQOQFZ-HNNXBMFYSA-N 1 1 346.858 3.816 50 0 EHAAMO COCC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000006583765 210658002 /nfs/dbraw/zinc/65/80/02/210658002.db2.gz FQAQSMRHKQOQFZ-HNNXBMFYSA-N 1 1 346.858 3.816 50 0 EHAAMO C[N@H+](CCCn1c(=O)c2ccccc2[nH]c1=S)Cc1ccccc1 ZINC000004846054 210297651 /nfs/dbraw/zinc/29/76/51/210297651.db2.gz FLKAXQHZOVNZSH-UHFFFAOYSA-N 1 1 339.464 3.581 50 0 EHAAMO C[N@@H+](CCCn1c(=O)c2ccccc2[nH]c1=S)Cc1ccccc1 ZINC000004846054 210297658 /nfs/dbraw/zinc/29/76/58/210297658.db2.gz FLKAXQHZOVNZSH-UHFFFAOYSA-N 1 1 339.464 3.581 50 0 EHAAMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000004834198 210292551 /nfs/dbraw/zinc/29/25/51/210292551.db2.gz RLVBTSREZWKFDM-CQSZACIVSA-N 1 1 332.271 3.998 50 0 EHAAMO CCc1ccc(N2CCC([NH2+][C@H](C)C(C)(C)CN(C)C)CC2)cc1 ZINC000097377119 219019406 /nfs/dbraw/zinc/01/94/06/219019406.db2.gz BDCSCFYHMPGJNK-QGZVFWFLSA-N 1 1 331.548 3.784 50 0 EHAAMO c1ccc(CCc2nnc3n2CC[N@H+](CC2CCCCC2)CC3)cc1 ZINC000299771976 258084025 /nfs/dbraw/zinc/08/40/25/258084025.db2.gz YOUNISUDHGIYFT-UHFFFAOYSA-N 1 1 338.499 3.502 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](CC)C12CC3CC(CC(C3)C1)C2 ZINC000299777909 258088024 /nfs/dbraw/zinc/08/80/24/258088024.db2.gz ICEQLOOCMSEDPJ-IGDKPHCXSA-N 1 1 343.515 3.947 50 0 EHAAMO CCn1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cn1 ZINC000299792713 258098109 /nfs/dbraw/zinc/09/81/09/258098109.db2.gz GCIPLYMFAFHLEI-KSZLIROESA-N 1 1 349.438 3.646 50 0 EHAAMO O=C(c1ccc(Br)cc1)c1ccc(C[NH+]2CCC2)cc1 ZINC000002514615 563435584 /nfs/dbraw/zinc/43/55/84/563435584.db2.gz XJINXCZGPAMISD-UHFFFAOYSA-N 1 1 330.225 3.886 50 0 EHAAMO COc1ccc(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005525652 563536882 /nfs/dbraw/zinc/53/68/82/563536882.db2.gz BJLIVVSDLXNEDM-QZTJIDSGSA-N 1 1 329.827 3.877 50 0 EHAAMO C[N@@H+](Cc1csc(-c2ccoc2)n1)C[C@H](O)c1ccc(F)cc1 ZINC000071909969 563575910 /nfs/dbraw/zinc/57/59/10/563575910.db2.gz RZRHABDRVPHLRV-INIZCTEOSA-N 1 1 332.400 3.708 50 0 EHAAMO C[N@H+](Cc1csc(-c2ccoc2)n1)C[C@H](O)c1ccc(F)cc1 ZINC000071909969 563575912 /nfs/dbraw/zinc/57/59/12/563575912.db2.gz RZRHABDRVPHLRV-INIZCTEOSA-N 1 1 332.400 3.708 50 0 EHAAMO Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1C ZINC000006730921 563583930 /nfs/dbraw/zinc/58/39/30/563583930.db2.gz UDZBJFFUDOLUNA-UHFFFAOYSA-N 1 1 337.467 3.696 50 0 EHAAMO CCc1ccc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012796063 563672695 /nfs/dbraw/zinc/67/26/95/563672695.db2.gz PSHGEDBGYRSDAE-HXUWFJFHSA-N 1 1 340.442 3.840 50 0 EHAAMO CCc1ccc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012796063 563672697 /nfs/dbraw/zinc/67/26/97/563672697.db2.gz PSHGEDBGYRSDAE-HXUWFJFHSA-N 1 1 340.442 3.840 50 0 EHAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000014787008 563764482 /nfs/dbraw/zinc/76/44/82/563764482.db2.gz XXFQDWSEAKDVLH-GFCCVEGCSA-N 1 1 333.432 3.620 50 0 EHAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000014787008 563764484 /nfs/dbraw/zinc/76/44/84/563764484.db2.gz XXFQDWSEAKDVLH-GFCCVEGCSA-N 1 1 333.432 3.620 50 0 EHAAMO OC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015065188 563775171 /nfs/dbraw/zinc/77/51/71/563775171.db2.gz CXHUYXOFHYSHJL-QGZVFWFLSA-N 1 1 347.462 3.948 50 0 EHAAMO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000015068793 563775568 /nfs/dbraw/zinc/77/55/68/563775568.db2.gz INNUPVHTQLDAKS-HNNXBMFYSA-N 1 1 337.423 3.954 50 0 EHAAMO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000015068793 563775570 /nfs/dbraw/zinc/77/55/70/563775570.db2.gz INNUPVHTQLDAKS-HNNXBMFYSA-N 1 1 337.423 3.954 50 0 EHAAMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000016420776 563810941 /nfs/dbraw/zinc/81/09/41/563810941.db2.gz VBLFJRYAZQAZCM-ZDUSSCGKSA-N 1 1 348.899 3.979 50 0 EHAAMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000016420776 563810943 /nfs/dbraw/zinc/81/09/43/563810943.db2.gz VBLFJRYAZQAZCM-ZDUSSCGKSA-N 1 1 348.899 3.979 50 0 EHAAMO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCc2sccc2C1 ZINC000022549933 563863456 /nfs/dbraw/zinc/86/34/56/563863456.db2.gz SUVWMZQQNHJZBA-HKUYNNGSSA-N 1 1 343.492 3.561 50 0 EHAAMO Fc1ccc(N2CCN([C@H]3CCC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000022914572 563865343 /nfs/dbraw/zinc/86/53/43/563865343.db2.gz BOFDCVVTLUVPAE-NRFANRHFSA-N 1 1 345.506 3.745 50 0 EHAAMO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000024518530 563872229 /nfs/dbraw/zinc/87/22/29/563872229.db2.gz VHOLTVUSLJHAAL-KRWDZBQOSA-N 1 1 348.368 3.815 50 0 EHAAMO CC(C)Cc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000024668039 563873819 /nfs/dbraw/zinc/87/38/19/563873819.db2.gz QDFOUAATCSOBRI-AWEZNQCLSA-N 1 1 340.427 3.789 50 0 EHAAMO CC(C)Cc1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000024668039 563873821 /nfs/dbraw/zinc/87/38/21/563873821.db2.gz QDFOUAATCSOBRI-AWEZNQCLSA-N 1 1 340.427 3.789 50 0 EHAAMO Cc1csc2nc(C[NH2+][C@H](C)c3ccccc3Cl)cc(=O)n12 ZINC000025396966 563884385 /nfs/dbraw/zinc/88/43/85/563884385.db2.gz UKFLBZLZVMXJOG-LLVKDONJSA-N 1 1 333.844 3.569 50 0 EHAAMO CCc1sc(-c2nnc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)o2)cc1C ZINC000072269743 563895862 /nfs/dbraw/zinc/89/58/62/563895862.db2.gz JAEHKSJKPHLNTR-STQMWFEESA-N 1 1 345.472 3.605 50 0 EHAAMO CCN(C(=O)C[N@@H+](CC)[C@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000072304911 563914454 /nfs/dbraw/zinc/91/44/54/563914454.db2.gz STBVSWIFTOAGTA-HXUWFJFHSA-N 1 1 328.500 3.649 50 0 EHAAMO CCOc1ccccc1-c1nnc(SC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000058425659 563946028 /nfs/dbraw/zinc/94/60/28/563946028.db2.gz BFJMFOMDOMYJSC-ZDUSSCGKSA-N 1 1 333.457 3.569 50 0 EHAAMO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955334 /nfs/dbraw/zinc/95/53/34/563955334.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 1 1 342.462 3.597 50 0 EHAAMO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955335 /nfs/dbraw/zinc/95/53/35/563955335.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 1 1 342.462 3.597 50 0 EHAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1scnc1-c1ccccc1 ZINC000065433578 563960886 /nfs/dbraw/zinc/96/08/86/563960886.db2.gz ROBHAPRGFOOGLI-INIZCTEOSA-N 1 1 343.496 3.691 50 0 EHAAMO CCCCc1c(-c2ccccc2)ncn1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000065509007 563961796 /nfs/dbraw/zinc/96/17/96/563961796.db2.gz MQYNNNBPNFZQDJ-GOSISDBHSA-N 1 1 341.499 3.597 50 0 EHAAMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCCc3ccncc3)C2)n1 ZINC000360609576 563963391 /nfs/dbraw/zinc/96/33/91/563963391.db2.gz DTPZKMKVOFJXBA-OAHLLOKOSA-N 1 1 338.377 3.567 50 0 EHAAMO COc1ccccc1NC(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071416167 563964365 /nfs/dbraw/zinc/96/43/65/563964365.db2.gz ZPYMVARCELTKTJ-GOSISDBHSA-N 1 1 345.487 3.669 50 0 EHAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071589593 563964633 /nfs/dbraw/zinc/96/46/33/563964633.db2.gz RAHKHPBSLRWZOF-HNNXBMFYSA-N 1 1 333.426 3.852 50 0 EHAAMO CCCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077302479 563968883 /nfs/dbraw/zinc/96/88/83/563968883.db2.gz MZKVXLHTGHQQOJ-FQEVSTJZSA-N 1 1 330.472 3.599 50 0 EHAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1-n1cccn1 ZINC000077323232 563968967 /nfs/dbraw/zinc/96/89/67/563968967.db2.gz UKIQOHQHEZDLAD-SFHVURJKSA-N 1 1 331.435 3.793 50 0 EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1ccccc1 ZINC000000052683 563970710 /nfs/dbraw/zinc/97/07/10/563970710.db2.gz ZFZIIGPUWLXOFS-IEBWSBKVSA-N 1 1 337.492 4.000 50 0 biogenic EHAAMO CSc1ccccc1C(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000082155836 563972754 /nfs/dbraw/zinc/97/27/54/563972754.db2.gz CYRCRNVBGXEFPF-MRXNPFEDSA-N 1 1 343.496 3.998 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000008553362 563974087 /nfs/dbraw/zinc/97/40/87/563974087.db2.gz GEVHASPEKHFKMQ-HIFRSBDPSA-N 1 1 343.389 3.912 50 0 EHAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000091327184 563975327 /nfs/dbraw/zinc/97/53/27/563975327.db2.gz MPGPSMMVNVDAAS-OAQYLSRUSA-N 1 1 347.499 3.619 50 0 EHAAMO CC(C)[C@@H]([NH2+]Cc1nnnn1C)c1ccc(C2CCCCC2)cc1 ZINC000329383557 563996183 /nfs/dbraw/zinc/99/61/83/563996183.db2.gz OXGFHHPOQCSHTA-LJQANCHMSA-N 1 1 327.476 3.745 50 0 EHAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)C[C@H]1CCCCO1 ZINC000329849012 563999695 /nfs/dbraw/zinc/99/96/95/563999695.db2.gz RSYJVTDCOWJJSZ-IUODEOHRSA-N 1 1 335.835 3.952 50 0 EHAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329849012 563999696 /nfs/dbraw/zinc/99/96/96/563999696.db2.gz RSYJVTDCOWJJSZ-IUODEOHRSA-N 1 1 335.835 3.952 50 0 EHAAMO C[C@H](Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179611125 564002212 /nfs/dbraw/zinc/00/22/12/564002212.db2.gz DZEJNBNUJPUNMH-BBWFWOEESA-N 1 1 325.456 3.864 50 0 EHAAMO C[C@H](Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179611125 564002213 /nfs/dbraw/zinc/00/22/13/564002213.db2.gz DZEJNBNUJPUNMH-BBWFWOEESA-N 1 1 325.456 3.864 50 0 EHAAMO O[C@H](C[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000106632771 564026565 /nfs/dbraw/zinc/02/65/65/564026565.db2.gz FMZGXERDRMQOEO-FUHWJXTLSA-N 1 1 333.378 3.811 50 0 EHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccccn1 ZINC000106633125 564026571 /nfs/dbraw/zinc/02/65/71/564026571.db2.gz UYNICMVNRLBHPN-CTNGQTDRSA-N 1 1 349.478 3.657 50 0 EHAAMO C[C@@H](Cc1nnc(SCC[N@H+]2CC[C@@H](C)C2)o1)c1ccccc1 ZINC000107075228 564026802 /nfs/dbraw/zinc/02/68/02/564026802.db2.gz NJPBDOVIJOJABW-CABCVRRESA-N 1 1 331.485 3.850 50 0 EHAAMO Cc1[nH+]ccn1CCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000047676702 564029625 /nfs/dbraw/zinc/02/96/25/564029625.db2.gz RHQXQIVMLXFTJK-UHFFFAOYSA-N 1 1 347.418 3.636 50 0 EHAAMO COc1cc2c(cc1C[N@H+]1CCN(C)[C@H](c3ccccc3)C1)CCC2 ZINC000225337727 564046074 /nfs/dbraw/zinc/04/60/74/564046074.db2.gz FAWVUDNETSKOPX-NRFANRHFSA-N 1 1 336.479 3.673 50 0 EHAAMO COc1cc2c(cc1CN1CC[N@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000225337727 564046075 /nfs/dbraw/zinc/04/60/75/564046075.db2.gz FAWVUDNETSKOPX-NRFANRHFSA-N 1 1 336.479 3.673 50 0 EHAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000225337727 564046076 /nfs/dbraw/zinc/04/60/76/564046076.db2.gz FAWVUDNETSKOPX-NRFANRHFSA-N 1 1 336.479 3.673 50 0 EHAAMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000240551707 564051785 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CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000063465436 564057621 /nfs/dbraw/zinc/05/76/21/564057621.db2.gz BDRXOGSBEIOVHX-UHFFFAOYSA-N 1 1 343.496 3.968 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000012697562 564063387 /nfs/dbraw/zinc/06/33/87/564063387.db2.gz WAUVNKJYZMPVJR-CHWSQXEVSA-N 1 1 332.271 3.998 50 0 EHAAMO CC(C)C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000084544221 564068641 /nfs/dbraw/zinc/06/86/41/564068641.db2.gz JXMOZWAVORMGBA-UHFFFAOYSA-N 1 1 340.261 3.841 50 0 EHAAMO CC(C)Cc1ccc(CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000084575175 564068767 /nfs/dbraw/zinc/06/87/67/564068767.db2.gz JKRZUAYCDLUHKH-HXUWFJFHSA-N 1 1 330.516 3.522 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000015862259 564076993 /nfs/dbraw/zinc/07/69/93/564076993.db2.gz NAZZOHQQZACNPO-UHFFFAOYSA-N 1 1 336.435 3.786 50 0 EHAAMO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000241126106 564088289 /nfs/dbraw/zinc/08/82/89/564088289.db2.gz 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CC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000169677946 564098164 /nfs/dbraw/zinc/09/81/64/564098164.db2.gz TVOIJOLZYLXWOQ-IEBWSBKVSA-N 1 1 343.467 3.736 50 0 EHAAMO CC(C)c1nc2ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2o1 ZINC000064968390 564098722 /nfs/dbraw/zinc/09/87/22/564098722.db2.gz OXOWLKFRWPJCIW-UHFFFAOYSA-N 1 1 343.471 3.946 50 0 EHAAMO COc1cccc(C(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000036386778 564100138 /nfs/dbraw/zinc/10/01/38/564100138.db2.gz HVRINZSEISPUSB-ROUUACIJSA-N 1 1 329.827 3.877 50 0 EHAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c(C)c1 ZINC000007039268 564103521 /nfs/dbraw/zinc/10/35/21/564103521.db2.gz OVPQRYMCRLJXHT-SFHVURJKSA-N 1 1 325.456 3.726 50 0 EHAAMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c(C)c1 ZINC000007039268 564103522 /nfs/dbraw/zinc/10/35/22/564103522.db2.gz OVPQRYMCRLJXHT-SFHVURJKSA-N 1 1 325.456 3.726 50 0 EHAAMO C[N@@H+]1CCCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000065285726 564104349 /nfs/dbraw/zinc/10/43/49/564104349.db2.gz WUROSJLMSKZAMB-UHFFFAOYSA-N 1 1 331.485 3.596 50 0 EHAAMO C[N@H+]1CCCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000065285726 564104350 /nfs/dbraw/zinc/10/43/50/564104350.db2.gz WUROSJLMSKZAMB-UHFFFAOYSA-N 1 1 331.485 3.596 50 0 EHAAMO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000065565519 564107067 /nfs/dbraw/zinc/10/70/67/564107067.db2.gz JTUXNWHBRHEREC-FQEVSTJZSA-N 1 1 349.409 3.541 50 0 EHAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000065565519 564107068 /nfs/dbraw/zinc/10/70/68/564107068.db2.gz JTUXNWHBRHEREC-FQEVSTJZSA-N 1 1 349.409 3.541 50 0 EHAAMO c1coc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cnc5ccccc54)C3)o2)c1 ZINC000065588105 564107841 /nfs/dbraw/zinc/10/78/41/564107841.db2.gz WTXHUYKOKJEPPF-CQSZACIVSA-N 1 1 349.394 3.516 50 0 EHAAMO c1coc(-c2nnc(C[N@H+]3CCC[C@@H](n4cnc5ccccc54)C3)o2)c1 ZINC000065588105 564107842 /nfs/dbraw/zinc/10/78/42/564107842.db2.gz WTXHUYKOKJEPPF-CQSZACIVSA-N 1 1 349.394 3.516 50 0 EHAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007417824 564108146 /nfs/dbraw/zinc/10/81/46/564108146.db2.gz OSCIOEJWYPZQAP-INIZCTEOSA-N 1 1 336.435 3.812 50 0 EHAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007417824 564108147 /nfs/dbraw/zinc/10/81/47/564108147.db2.gz OSCIOEJWYPZQAP-INIZCTEOSA-N 1 1 336.435 3.812 50 0 EHAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000037213021 564108762 /nfs/dbraw/zinc/10/87/62/564108762.db2.gz JZNZJIQZFSDLPJ-OXQOHEQNSA-N 1 1 338.451 3.710 50 0 EHAAMO CC(C)c1noc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000042598447 564111041 /nfs/dbraw/zinc/11/10/41/564111041.db2.gz VNIIKGWWOZPTGD-UHFFFAOYSA-N 1 1 348.878 3.554 50 0 EHAAMO CC(C)c1noc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000042598447 564111042 /nfs/dbraw/zinc/11/10/42/564111042.db2.gz VNIIKGWWOZPTGD-UHFFFAOYSA-N 1 1 348.878 3.554 50 0 EHAAMO c1ccc2nc(C[N@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000089873150 564114572 /nfs/dbraw/zinc/11/45/72/564114572.db2.gz PZGHKTPNBINQBZ-INIZCTEOSA-N 1 1 334.423 3.875 50 0 EHAAMO COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000089905011 564115057 /nfs/dbraw/zinc/11/50/57/564115057.db2.gz OKAYXLBMATWTGZ-GFCCVEGCSA-N 1 1 337.803 3.791 50 0 EHAAMO CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000076089861 564115641 /nfs/dbraw/zinc/11/56/41/564115641.db2.gz OPNIRPSCAOHBSL-SFTDATJTSA-N 1 1 338.451 3.733 50 0 EHAAMO C[N@@H+]1CC[C@@H](NC(=O)CCC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000090002261 564116162 /nfs/dbraw/zinc/11/61/62/564116162.db2.gz RAUVEWYUOSMNAN-OCCSQVGLSA-N 1 1 334.769 3.544 50 0 EHAAMO C[N@H+]1CC[C@@H](NC(=O)CCC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000090002261 564116163 /nfs/dbraw/zinc/11/61/63/564116163.db2.gz RAUVEWYUOSMNAN-OCCSQVGLSA-N 1 1 334.769 3.544 50 0 EHAAMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2cc1C ZINC000252514487 564120257 /nfs/dbraw/zinc/12/02/57/564120257.db2.gz CPQHCQLMUCIOGS-CDHQVMDDSA-N 1 1 341.451 3.655 50 0 EHAAMO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000170650285 564120335 /nfs/dbraw/zinc/12/03/35/564120335.db2.gz QIMIVHJFEUPXIA-KURKYZTESA-N 1 1 343.515 3.760 50 0 EHAAMO C[N@@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499789 564132756 /nfs/dbraw/zinc/13/27/56/564132756.db2.gz NINCEUANGIAEBE-YGZDAZCWSA-N 1 1 349.559 3.683 50 0 biogenic EHAAMO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000280219843 564141765 /nfs/dbraw/zinc/14/17/65/564141765.db2.gz KZVYKNKOTAOZMP-UHFFFAOYSA-N 1 1 333.435 3.560 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNc1nc(-c2ccncc2)nc2ccccc21 ZINC000095947365 564142270 /nfs/dbraw/zinc/14/22/70/564142270.db2.gz QDVRWRAQVADAHX-MRXNPFEDSA-N 1 1 333.439 3.588 50 0 EHAAMO COC(=O)[C@@H](C)C[N@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC1 ZINC000095972243 564143444 /nfs/dbraw/zinc/14/34/44/564143444.db2.gz QVQZWBLPMAVTQE-AWEZNQCLSA-N 1 1 344.480 3.892 50 0 EHAAMO COC(=O)[C@@H](C)C[N@@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC1 ZINC000095972243 564143445 /nfs/dbraw/zinc/14/34/45/564143445.db2.gz QVQZWBLPMAVTQE-AWEZNQCLSA-N 1 1 344.480 3.892 50 0 EHAAMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000096444596 564148143 /nfs/dbraw/zinc/14/81/43/564148143.db2.gz SJZFTVRPSZAKPR-STQMWFEESA-N 1 1 331.382 3.634 50 0 EHAAMO Fc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021379 564149138 /nfs/dbraw/zinc/14/91/38/564149138.db2.gz SQDVGCZMAIJVAC-AQNXPRMDSA-N 1 1 325.431 3.527 50 0 EHAAMO Cn1cccc1[C@H]1CCC[N@H+]1[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369651 564153779 /nfs/dbraw/zinc/15/37/79/564153779.db2.gz AYWSYBGARSBCCX-UXHICEINSA-N 1 1 337.467 3.526 50 0 EHAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)cc1 ZINC000003058389 564154799 /nfs/dbraw/zinc/15/47/99/564154799.db2.gz UMXCXNBMSWPWKV-UHFFFAOYSA-N 1 1 347.528 3.731 50 0 EHAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(OC)c2)CC1 ZINC000003060171 564154825 /nfs/dbraw/zinc/15/48/25/564154825.db2.gz BCSDSNZEZWYDSX-AWEZNQCLSA-N 1 1 335.517 3.587 50 0 EHAAMO Cc1ccccc1[C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057568204 564154991 /nfs/dbraw/zinc/15/49/91/564154991.db2.gz PSFAXOAJPDVFBQ-LIRRHRJNSA-N 1 1 326.415 3.805 50 0 EHAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2sccc2Cl)C1 ZINC000670460040 564160986 /nfs/dbraw/zinc/16/09/86/564160986.db2.gz DCJRVGPPLCYONB-AWEZNQCLSA-N 1 1 348.899 3.929 50 0 EHAAMO CC(C)CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000008037440 564162330 /nfs/dbraw/zinc/16/23/30/564162330.db2.gz WWGWJOHBDMYLBT-GOSISDBHSA-N 1 1 344.455 3.737 50 0 EHAAMO Cc1cnc(-c2cccc(NC(=O)NC[C@H]3CC[N@H+](C(C)C)C3)c2)o1 ZINC000066974220 564164906 /nfs/dbraw/zinc/16/49/06/564164906.db2.gz JWMKGPGQDSGQBZ-OAHLLOKOSA-N 1 1 342.443 3.502 50 0 EHAAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(F)cc3cccnc32)cc1 ZINC000069744752 564171979 /nfs/dbraw/zinc/17/19/79/564171979.db2.gz BAUNJXJPYUNFDW-IBGZPJMESA-N 1 1 340.398 3.548 50 0 EHAAMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000069833322 564172403 /nfs/dbraw/zinc/17/24/03/564172403.db2.gz ZRZMGUZZNAUCFS-IYBDPMFKSA-N 1 1 330.497 3.647 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)s1 ZINC000021640232 564177315 /nfs/dbraw/zinc/17/73/15/564177315.db2.gz VLXCZLUXEVAFSJ-UHFFFAOYSA-N 1 1 342.512 3.641 50 0 EHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)s1 ZINC000021640232 564177316 /nfs/dbraw/zinc/17/73/16/564177316.db2.gz VLXCZLUXEVAFSJ-UHFFFAOYSA-N 1 1 342.512 3.641 50 0 EHAAMO C/C(=C\C(=O)Nc1ncc(C(F)(F)F)cc1Cl)[NH+]1CCCC1 ZINC000005183522 1033410075 /nfs/dbraw/zinc/41/00/75/1033410075.db2.gz QLDYGFWPYDLEKS-RMKNXTFCSA-N 1 1 333.741 3.692 50 0 EHAAMO CC(C)[N@H+]1CC2(CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000257188322 1038478408 /nfs/dbraw/zinc/47/84/08/1038478408.db2.gz MOQRLZMLYCRPHC-LJQANCHMSA-N 1 1 338.451 3.967 50 0 EHAAMO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000106136223 1041570930 /nfs/dbraw/zinc/57/09/30/1041570930.db2.gz CRDMMPKFDURCLO-KGLIPLIRSA-N 1 1 343.446 3.533 50 0 EHAAMO OC[C@@]1([NH2+]Cc2ccsc2C(F)(F)F)CCOc2ccccc21 ZINC000529556105 1128561118 /nfs/dbraw/zinc/56/11/18/1128561118.db2.gz JULBPRWRMGDTMA-HNNXBMFYSA-N 1 1 343.370 3.527 50 0 EHAAMO CC1CCC([N@@H+](Cc2nnc(C3CCC3)n2C)C[C@@H]2CCCO2)CC1 ZINC000181385047 1124801730 /nfs/dbraw/zinc/80/17/30/1124801730.db2.gz GYAKEOMOKCHZIH-VJFUWPCTSA-N 1 1 346.519 3.642 50 0 EHAAMO CC1CCC([N@H+](Cc2nnc(C3CCC3)n2C)C[C@@H]2CCCO2)CC1 ZINC000181385047 1124801740 /nfs/dbraw/zinc/80/17/40/1124801740.db2.gz GYAKEOMOKCHZIH-VJFUWPCTSA-N 1 1 346.519 3.642 50 0 EHAAMO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1nc2ccccc2n1C ZINC000091314469 1124976020 /nfs/dbraw/zinc/97/60/20/1124976020.db2.gz OROOKNOAIHDTEE-AWEZNQCLSA-N 1 1 336.439 3.608 50 0 EHAAMO O=C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCCCC12CC2 ZINC000826583302 1131328155 /nfs/dbraw/zinc/32/81/55/1131328155.db2.gz CPIRURRNOJXFPW-SFHVURJKSA-N 1 1 330.447 3.898 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000181141562 1131047133 /nfs/dbraw/zinc/04/71/33/1131047133.db2.gz OLDKURQDDFNQQI-OAHLLOKOSA-N 1 1 336.439 3.655 50 0 EHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000181141562 1131047139 /nfs/dbraw/zinc/04/71/39/1131047139.db2.gz OLDKURQDDFNQQI-OAHLLOKOSA-N 1 1 336.439 3.655 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000181141562 1131047144 /nfs/dbraw/zinc/04/71/44/1131047144.db2.gz OLDKURQDDFNQQI-OAHLLOKOSA-N 1 1 336.439 3.655 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000575317492 1131541264 /nfs/dbraw/zinc/54/12/64/1131541264.db2.gz KWXFSXOZQDZXBV-LJQANCHMSA-N 1 1 339.483 3.625 50 0 EHAAMO Cc1ccsc1C[N@@H+]1CC[C@H](n2c(C)cnc2C2CCOCC2)C1 ZINC000575550770 1131573168 /nfs/dbraw/zinc/57/31/68/1131573168.db2.gz XZPOWZNGSZOEFN-KRWDZBQOSA-N 1 1 345.512 3.902 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)CC2CCCCC2)n1Cc1ccccc1 ZINC000581816978 1132374858 /nfs/dbraw/zinc/37/48/58/1132374858.db2.gz KNPFRZQAWCMICK-UHFFFAOYSA-N 1 1 339.483 3.869 50 0 EHAAMO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000585117056 1137008611 /nfs/dbraw/zinc/00/86/11/1137008611.db2.gz PXUJFRYFMXXCJX-ZETCQYMHSA-N 1 1 332.757 3.945 50 0 EHAAMO CC(C)Oc1ccc(C[N@@H+](C)[C@H](c2ccccn2)C2CC2)cc1CO ZINC000952860323 1137482662 /nfs/dbraw/zinc/48/26/62/1137482662.db2.gz MHCKDWQYMJCRNA-NRFANRHFSA-N 1 1 340.467 3.944 50 0 EHAAMO COc1ccc(/C=C/C[N@@H+](Cc2c(C)nn(C)c2C)C2CC2)cc1 ZINC000952990427 1137485726 /nfs/dbraw/zinc/48/57/26/1137485726.db2.gz QJILCGDKHTUWOW-AATRIKPKSA-N 1 1 325.456 3.723 50 0 EHAAMO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000004743655 210266839 /nfs/dbraw/zinc/26/68/39/210266839.db2.gz NWLWWFSYPYQXJE-GFCCVEGCSA-N 1 1 339.277 3.818 50 0 EHAAMO CC[N@@H+](CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052968733 214158043 /nfs/dbraw/zinc/15/80/43/214158043.db2.gz NSOWYSLQMOTNFJ-UHFFFAOYSA-N 1 1 347.418 3.734 50 0 EHAAMO Fc1ccc(Oc2ncccc2C[NH2+]Cc2ccccn2)cc1F ZINC000055099644 214272130 /nfs/dbraw/zinc/27/21/30/214272130.db2.gz VIERWKYAKPWNGX-UHFFFAOYSA-N 1 1 327.334 3.837 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000055132699 214277564 /nfs/dbraw/zinc/27/75/64/214277564.db2.gz ATHYGXMZNHSWPZ-ZDUSSCGKSA-N 1 1 331.441 3.504 50 0 EHAAMO Cc1ccc2[nH+]c(NCc3cccc(-c4nn[nH]n4)c3)cc(C)c2c1 ZINC000055182543 214284623 /nfs/dbraw/zinc/28/46/23/214284623.db2.gz PEDZVTSAJBJKSM-UHFFFAOYSA-N 1 1 330.395 3.644 50 0 EHAAMO CCOc1cccc(C[N@@H+](CCO)Cc2cnc3ccccc3c2)c1 ZINC000055226242 214292479 /nfs/dbraw/zinc/29/24/79/214292479.db2.gz GGQHFCIMZLNXFD-UHFFFAOYSA-N 1 1 336.435 3.628 50 0 EHAAMO CCOc1ccccc1OCC[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000055243022 214293851 /nfs/dbraw/zinc/29/38/51/214293851.db2.gz HVYVPQFJOGDGPK-UHFFFAOYSA-N 1 1 342.439 3.555 50 0 EHAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cc3c(cc2Cl)OCO3)c1 ZINC000055401804 214319147 /nfs/dbraw/zinc/31/91/47/214319147.db2.gz WMBJQVVSFGGPAP-ZDUSSCGKSA-N 1 1 332.831 3.835 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(C(C)C)nn1C ZINC000058433516 214587185 /nfs/dbraw/zinc/58/71/85/214587185.db2.gz OVMCUADMWHXTNR-OAHLLOKOSA-N 1 1 349.862 3.819 50 0 EHAAMO Cc1ccccc1C(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000065455843 214915392 /nfs/dbraw/zinc/91/53/92/214915392.db2.gz GFZAJYYJGRTYRZ-UHFFFAOYSA-N 1 1 338.426 3.696 50 0 EHAAMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000066676295 215067072 /nfs/dbraw/zinc/06/70/72/215067072.db2.gz KPICXBLPXODKJH-SFHVURJKSA-N 1 1 326.484 3.713 50 0 EHAAMO Cc1c[nH+]c(NCc2cccnc2Oc2c(C)cccc2C)nc1N ZINC000067654563 215175011 /nfs/dbraw/zinc/17/50/11/215175011.db2.gz STGBVDFZDUCUAS-UHFFFAOYSA-N 1 1 335.411 3.783 50 0 EHAAMO CC(C)C[C@H]1C[N@@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@]1(C)O ZINC000067740390 215199241 /nfs/dbraw/zinc/19/92/41/215199241.db2.gz OUMPZOVUUOEJAW-LEWJYISDSA-N 1 1 341.499 3.550 50 0 EHAAMO Oc1cccc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 ZINC000067934060 215252675 /nfs/dbraw/zinc/25/26/75/215252675.db2.gz WSWWPYQOSZUHMT-FCHUYYIVSA-N 1 1 333.431 3.896 50 0 EHAAMO Cc1cnc(C[NH2+]C2(c3cccc(Br)c3)CCC2)cn1 ZINC000069010009 215353036 /nfs/dbraw/zinc/35/30/36/215353036.db2.gz ZWFMIJWPPZWUMY-UHFFFAOYSA-N 1 1 332.245 3.717 50 0 EHAAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040497563 213322337 /nfs/dbraw/zinc/32/23/37/213322337.db2.gz KROGSIVFNARDNJ-ZDUSSCGKSA-N 1 1 327.815 3.541 50 0 EHAAMO Cc1csc2nc(C[N@H+](C)[C@@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000040063167 213256813 /nfs/dbraw/zinc/25/68/13/213256813.db2.gz XXKFAWIGPQLTQC-LBPRGKRZSA-N 1 1 347.871 3.911 50 0 EHAAMO CC[C@@H](C)[N@H+](Cc1ccsc1)C[C@H](O)COCc1ccccc1 ZINC000036099375 213064868 /nfs/dbraw/zinc/06/48/68/213064868.db2.gz MGPIXFHJVZJICS-APWZRJJASA-N 1 1 333.497 3.926 50 0 EHAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036095960 213062765 /nfs/dbraw/zinc/06/27/65/213062765.db2.gz POHFEOGFYTZEJA-LJQANCHMSA-N 1 1 343.467 3.519 50 0 EHAAMO COc1ccc(F)c(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)c1 ZINC000072152318 216040393 /nfs/dbraw/zinc/04/03/93/216040393.db2.gz XXJJXTIMDFHZKI-UHFFFAOYSA-N 1 1 341.426 3.957 50 0 EHAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)n1 ZINC000072158582 216048430 /nfs/dbraw/zinc/04/84/30/216048430.db2.gz VUVHYJXXXGVPAS-IBGZPJMESA-N 1 1 339.487 3.785 50 0 EHAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)n1 ZINC000072158582 216048433 /nfs/dbraw/zinc/04/84/33/216048433.db2.gz VUVHYJXXXGVPAS-IBGZPJMESA-N 1 1 339.487 3.785 50 0 EHAAMO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000072163347 216051761 /nfs/dbraw/zinc/05/17/61/216051761.db2.gz YKIHYMGCXFOIRZ-OAHLLOKOSA-N 1 1 329.419 3.931 50 0 EHAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000072163347 216051765 /nfs/dbraw/zinc/05/17/65/216051765.db2.gz YKIHYMGCXFOIRZ-OAHLLOKOSA-N 1 1 329.419 3.931 50 0 EHAAMO COc1cc(OC)c(C[NH+]2CCCCCC2)cc1Br ZINC000000200022 209479356 /nfs/dbraw/zinc/47/93/56/209479356.db2.gz UDMOFRRYRGSZLV-UHFFFAOYSA-N 1 1 328.250 3.842 50 0 EHAAMO CCOC(=O)c1c2cc(OC)ccc2oc1C[N@H+]1CCCC[C@H]1C ZINC000000054437 209391904 /nfs/dbraw/zinc/39/19/04/209391904.db2.gz IXEWQDWLSGEPBF-CYBMUJFWSA-N 1 1 331.412 3.993 50 0 EHAAMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000073104295 216350687 /nfs/dbraw/zinc/35/06/87/216350687.db2.gz LZMNIUSXWXUGHX-BRWVUGGUSA-N 1 1 342.483 3.659 50 0 EHAAMO COC(=O)c1ccc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000023360324 212370700 /nfs/dbraw/zinc/37/07/00/212370700.db2.gz YJOHCRPXMUWLEK-FQEVSTJZSA-N 1 1 344.499 3.608 50 0 EHAAMO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)cc1 ZINC000023360324 212370707 /nfs/dbraw/zinc/37/07/07/212370707.db2.gz YJOHCRPXMUWLEK-FQEVSTJZSA-N 1 1 344.499 3.608 50 0 EHAAMO OCCC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216311672 241182080 /nfs/dbraw/zinc/18/20/80/241182080.db2.gz NBMVZKBJRYYVFC-SFHVURJKSA-N 1 1 345.874 3.924 50 0 EHAAMO CCc1ccc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1 ZINC000225836112 242057581 /nfs/dbraw/zinc/05/75/81/242057581.db2.gz BMFQEKISRCRMTH-UHFFFAOYSA-N 1 1 332.875 3.939 50 0 EHAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)ccc1O ZINC000021720956 212243638 /nfs/dbraw/zinc/24/36/38/212243638.db2.gz DGKJVZXCGJSWMU-OAHLLOKOSA-N 1 1 330.428 3.987 50 0 EHAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000230209918 242249592 /nfs/dbraw/zinc/24/95/92/242249592.db2.gz ZIAOWARRTKNEFG-ACJLOTCBSA-N 1 1 345.874 3.816 50 0 biogenic EHAAMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000021102279 212207423 /nfs/dbraw/zinc/20/74/23/212207423.db2.gz LMXZQNSLSBQNAA-UHFFFAOYSA-N 1 1 341.480 3.785 50 0 EHAAMO C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)n1)c1cccc(O)c1 ZINC000242155960 243013085 /nfs/dbraw/zinc/01/30/85/243013085.db2.gz WUSQDBDRYXFHAA-LLVKDONJSA-N 1 1 326.318 3.579 50 0 EHAAMO Cn1cc([C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)[C@H]2C[C@H](O)C2)cn1 ZINC000244659688 243049977 /nfs/dbraw/zinc/04/99/77/243049977.db2.gz HHGPYJZGPOUZQY-MIUNTBIASA-N 1 1 342.830 3.546 50 0 EHAAMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 ZINC000253536515 244012595 /nfs/dbraw/zinc/01/25/95/244012595.db2.gz HJBPZLMAGGEWDS-OAHLLOKOSA-N 1 1 336.439 3.660 50 0 EHAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000020452760 212131134 /nfs/dbraw/zinc/13/11/34/212131134.db2.gz ZIHCFNAOCRPBIZ-HNNXBMFYSA-N 1 1 343.471 3.930 50 0 EHAAMO Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000020367165 212123389 /nfs/dbraw/zinc/12/33/89/212123389.db2.gz MVJAGXJDEWDJFF-UHFFFAOYSA-N 1 1 337.467 3.962 50 0 EHAAMO O=C(CCC1CCCC1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019889315 212079439 /nfs/dbraw/zinc/07/94/39/212079439.db2.gz WNUZQKAHGFOTCW-UHFFFAOYSA-N 1 1 339.483 3.783 50 0 EHAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000019823624 212072604 /nfs/dbraw/zinc/07/26/04/212072604.db2.gz VSYPBDDTFDLQTF-UHFFFAOYSA-N 1 1 328.843 3.606 50 0 EHAAMO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019841096 212074358 /nfs/dbraw/zinc/07/43/58/212074358.db2.gz HQFQSOZXCKATLJ-UHFFFAOYSA-N 1 1 325.481 3.510 50 0 EHAAMO CN1CC[NH+]([C@H]2Cc3ccccc3Sc3cc(F)ccc32)CC1 ZINC000019802281 212070249 /nfs/dbraw/zinc/07/02/49/212070249.db2.gz JHVUZQFWNDBWDL-KRWDZBQOSA-N 1 1 328.456 3.822 50 0 EHAAMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019597535 212050137 /nfs/dbraw/zinc/05/01/37/212050137.db2.gz RWZZIDHXTFGNLE-UHFFFAOYSA-N 1 1 329.831 3.690 50 0 EHAAMO Cc1noc(C2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000049392449 214005289 /nfs/dbraw/zinc/00/52/89/214005289.db2.gz UWFDZMDUQVUARZ-UHFFFAOYSA-N 1 1 342.262 3.582 50 0 EHAAMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000016435070 211903530 /nfs/dbraw/zinc/90/35/30/211903530.db2.gz RJHDSXAYELNINZ-CYBMUJFWSA-N 1 1 346.452 3.541 50 0 EHAAMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000016435070 211903534 /nfs/dbraw/zinc/90/35/34/211903534.db2.gz RJHDSXAYELNINZ-CYBMUJFWSA-N 1 1 346.452 3.541 50 0 EHAAMO CC[C@H](C)[C@@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000012374439 211359033 /nfs/dbraw/zinc/35/90/33/211359033.db2.gz ABQUFQQMQCPHOH-TVQRCGJNSA-N 1 1 339.848 3.744 50 0 EHAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2CCCO)cc1C ZINC000012302737 211339626 /nfs/dbraw/zinc/33/96/26/211339626.db2.gz AYTZJAXWAMTSDS-IBGZPJMESA-N 1 1 327.472 3.821 50 0 EHAAMO CC(C)c1nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cs1 ZINC000012058297 211284791 /nfs/dbraw/zinc/28/47/91/211284791.db2.gz IFFPORYURIADGG-LJQANCHMSA-N 1 1 347.528 3.605 50 0 EHAAMO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccc2[nH]ccc2c1 ZINC000012025788 211281774 /nfs/dbraw/zinc/28/17/74/211281774.db2.gz CALHODQEOAZDFJ-IBGZPJMESA-N 1 1 339.483 3.942 50 0 EHAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011937495 211272488 /nfs/dbraw/zinc/27/24/88/211272488.db2.gz ONKZAMARCNMZDO-HXUWFJFHSA-N 1 1 343.515 3.697 50 0 EHAAMO OCc1ccc(C[C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000091586683 218025609 /nfs/dbraw/zinc/02/56/09/218025609.db2.gz BCEXIMBVZMLYSN-IBGZPJMESA-N 1 1 332.447 3.792 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@H](CCc3ccc(OC)cc3)C2)cn1 ZINC000011840469 211253893 /nfs/dbraw/zinc/25/38/93/211253893.db2.gz CCRUTBGJVLNWPA-GOSISDBHSA-N 1 1 327.472 3.756 50 0 EHAAMO CCn1ccnc1[C@H]1CCC[N@@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604756 218031482 /nfs/dbraw/zinc/03/14/82/218031482.db2.gz NCYIYUVYLSFLJB-KRWDZBQOSA-N 1 1 343.471 3.560 50 0 EHAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091695583 218050595 /nfs/dbraw/zinc/05/05/95/218050595.db2.gz YCNLXBFBPBWYFY-UHFFFAOYSA-N 1 1 343.814 3.877 50 0 EHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N(C)C1CCCCC1)C[C@H](C)O2 ZINC000011783868 211248229 /nfs/dbraw/zinc/24/82/29/211248229.db2.gz LLNXANHLYDQUAP-KRWDZBQOSA-N 1 1 344.499 3.759 50 0 EHAAMO Cc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091792923 218066850 /nfs/dbraw/zinc/06/68/50/218066850.db2.gz VIAGVMVRPZQTLJ-AZUAARDMSA-N 1 1 339.458 3.626 50 0 EHAAMO OCc1cccc(C[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000091951464 218093555 /nfs/dbraw/zinc/09/35/55/218093555.db2.gz QDDWFFUGTRTSON-QGZVFWFLSA-N 1 1 347.405 3.845 50 0 EHAAMO COc1ccccc1COC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000092424522 218140554 /nfs/dbraw/zinc/14/05/54/218140554.db2.gz SIAGRBJISYRMQL-UHFFFAOYSA-N 1 1 332.469 3.641 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc2ccccc2n1 ZINC000010447031 211173191 /nfs/dbraw/zinc/17/31/91/211173191.db2.gz RTBCYJANWRHVDT-IBGZPJMESA-N 1 1 349.434 3.785 50 0 EHAAMO CC[N@H+](Cc1ccccc1)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434767 211172894 /nfs/dbraw/zinc/17/28/94/211172894.db2.gz FLVQWHBHFYORRA-SWXIYASGSA-N 1 1 343.511 3.855 50 0 EHAAMO COc1ccc(-c2noc(NCCC[N@@H+](C)C3CCCCC3)n2)cc1 ZINC000009726833 211120062 /nfs/dbraw/zinc/12/00/62/211120062.db2.gz ZBEWKILJOAQVKI-UHFFFAOYSA-N 1 1 344.459 3.812 50 0 EHAAMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093864312 218253939 /nfs/dbraw/zinc/25/39/39/218253939.db2.gz XSKJBAYFFMLYAY-SFHVURJKSA-N 1 1 349.438 3.512 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1NCc1cnc(C(C)(C)C)s1 ZINC000095349125 218284050 /nfs/dbraw/zinc/28/40/50/218284050.db2.gz VYEJHIMLHRKCCZ-UHFFFAOYSA-N 1 1 327.457 3.942 50 0 EHAAMO Cc1ccc(CC2(NC(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)cc1 ZINC000095360313 218292715 /nfs/dbraw/zinc/29/27/15/218292715.db2.gz MSRMEZWKGPXFEC-LJQANCHMSA-N 1 1 340.442 3.628 50 0 EHAAMO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063711 211037628 /nfs/dbraw/zinc/03/76/28/211037628.db2.gz MWOLWPHLCUJFRZ-CYBMUJFWSA-N 1 1 340.870 3.996 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095360889 218294555 /nfs/dbraw/zinc/29/45/55/218294555.db2.gz BCEMJHDFBHCPKJ-INIZCTEOSA-N 1 1 330.501 3.828 50 0 EHAAMO C[C@@H](c1ccco1)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000095409971 218346592 /nfs/dbraw/zinc/34/65/92/218346592.db2.gz QSORPQHWIGLBDM-YTTRVJOFSA-N 1 1 331.460 3.530 50 0 EHAAMO Cc1ccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)o1 ZINC000095428832 218370823 /nfs/dbraw/zinc/37/08/23/218370823.db2.gz KBQJXKISRWUMHO-UHFFFAOYSA-N 1 1 341.455 3.933 50 0 EHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3[nH]c4ccccc4c3C)[C@H]2C1 ZINC000299780936 258089353 /nfs/dbraw/zinc/08/93/53/258089353.db2.gz BHJJWVFKQWGFBL-RYGJVYDSSA-N 1 1 328.456 3.635 50 0 EHAAMO O=C(NCCCc1ccco1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299793800 258098515 /nfs/dbraw/zinc/09/85/15/258098515.db2.gz IDRCMSJOYCDRIE-ZCNNSNEGSA-N 1 1 338.451 3.554 50 0 EHAAMO COc1ccc(C[N@@H+]2CC[C@H](OC)C2)cc1OCc1cccc(F)c1 ZINC000215990091 258072227 /nfs/dbraw/zinc/07/22/27/258072227.db2.gz HZSHCBZZJKNKHP-SFHVURJKSA-N 1 1 345.414 3.634 50 0 EHAAMO O=C(NCc1ccsc1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299760196 258077229 /nfs/dbraw/zinc/07/72/29/258077229.db2.gz OWEBQYHEYQCCOM-KSZLIROESA-N 1 1 326.465 3.590 50 0 EHAAMO O=C(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000052537460 132184629 /nfs/dbraw/zinc/18/46/29/132184629.db2.gz IELISHYYIJUUCX-UHFFFAOYSA-N 1 1 328.843 3.735 50 0 EHAAMO Cc1cccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1C ZINC000057423135 132200347 /nfs/dbraw/zinc/20/03/47/132200347.db2.gz GKPIEHHURUFING-UHFFFAOYSA-N 1 1 346.478 3.811 50 0 EHAAMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 ZINC000123716053 222322587 /nfs/dbraw/zinc/32/25/87/222322587.db2.gz ZKXVSSNIBRWKRZ-SJORKVTESA-N 1 1 332.407 3.626 50 0 EHAAMO CC(C)c1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000123414819 222273730 /nfs/dbraw/zinc/27/37/30/222273730.db2.gz BBNYAOLJZYXZID-KRWDZBQOSA-N 1 1 341.455 3.535 50 0 EHAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccco1 ZINC000036100796 521683697 /nfs/dbraw/zinc/68/36/97/521683697.db2.gz JMRZNSGZJNQYBZ-LJQANCHMSA-N 1 1 331.456 3.686 50 0 EHAAMO CCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccccc1 ZINC000036101469 521683752 /nfs/dbraw/zinc/68/37/52/521683752.db2.gz OMQXRPWQTRIRDF-GOSISDBHSA-N 1 1 333.497 3.846 50 0 EHAAMO COc1ccc(/C=C/C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000215874414 536596574 /nfs/dbraw/zinc/59/65/74/536596574.db2.gz PQTKIJYJLMFTEQ-KOXUSJRISA-N 1 1 338.451 3.785 50 0 EHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212359 563261291 /nfs/dbraw/zinc/26/12/91/563261291.db2.gz UKVLMUAKVYCBPY-LJQANCHMSA-N 1 1 344.499 3.700 50 0 EHAAMO C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000002586028 563443623 /nfs/dbraw/zinc/44/36/23/563443623.db2.gz MOJZPKOBKCXNKG-YJBOKZPZSA-N 1 1 343.398 3.669 50 0 investigational EHAAMO CC(C)=CCSc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071921771 563627224 /nfs/dbraw/zinc/62/72/24/563627224.db2.gz JJGZJIYABRFPKP-INIZCTEOSA-N 1 1 344.524 3.959 50 0 EHAAMO O=C(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccc(F)cc1 ZINC000014949525 563767692 /nfs/dbraw/zinc/76/76/92/563767692.db2.gz TVHQRVHWIWEYBU-FQEVSTJZSA-N 1 1 340.442 3.653 50 0 EHAAMO CCCn1cc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c(C)n1 ZINC000015062052 563774160 /nfs/dbraw/zinc/77/41/60/563774160.db2.gz NBRMZCSRAXAPFX-IBGZPJMESA-N 1 1 330.451 3.817 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)o1 ZINC000015066156 563775095 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564140845 /nfs/dbraw/zinc/14/08/45/564140845.db2.gz DBPGXXBRHGBCJL-INIZCTEOSA-N 1 1 347.459 3.686 50 0 EHAAMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000095960100 564142705 /nfs/dbraw/zinc/14/27/05/564142705.db2.gz QPNBCVZTVXMEIK-CQSZACIVSA-N 1 1 341.842 3.743 50 0 EHAAMO Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000095984301 564143856 /nfs/dbraw/zinc/14/38/56/564143856.db2.gz KWHHUWREPKYMRP-CYBMUJFWSA-N 1 1 349.394 3.675 50 0 EHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000097201209 564149549 /nfs/dbraw/zinc/14/95/49/564149549.db2.gz IWRNNMDTFZFPGC-FQEVSTJZSA-N 1 1 349.434 3.659 50 0 EHAAMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000097238358 564149624 /nfs/dbraw/zinc/14/96/24/564149624.db2.gz QONNYCNODVPBRE-GFCCVEGCSA-N 1 1 346.441 3.586 50 0 EHAAMO O=C(Cc1cccc(F)c1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029634126 564153726 /nfs/dbraw/zinc/15/37/26/564153726.db2.gz OBMGKKDJZWBFRL-UHFFFAOYSA-N 1 1 347.459 3.839 50 0 EHAAMO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000057854160 564156153 /nfs/dbraw/zinc/15/61/53/564156153.db2.gz PMTCNULMFNKOGK-GFCCVEGCSA-N 1 1 337.250 3.960 50 0 EHAAMO Cc1ccc2ncccc2c1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000670447803 564159103 /nfs/dbraw/zinc/15/91/03/564159103.db2.gz YGBYKUMXKRYCHJ-HNNXBMFYSA-N 1 1 336.439 3.741 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000008394281 564165071 /nfs/dbraw/zinc/16/50/71/564165071.db2.gz WAUVNKJYZMPVJR-OLZOCXBDSA-N 1 1 332.271 3.998 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1F ZINC000069460703 564169715 /nfs/dbraw/zinc/16/97/15/564169715.db2.gz BWQFVRVZCJZIKD-KXBFYZLASA-N 1 1 339.414 3.974 50 0 EHAAMO C[C@@H](c1ccc(NC(=O)c2ccccc2Cl)cc1)[NH+]1CCOCC1 ZINC000069463706 564169763 /nfs/dbraw/zinc/16/97/63/564169763.db2.gz WVSWRHICADGSSQ-AWEZNQCLSA-N 1 1 344.842 3.986 50 0 EHAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000069519692 564170115 /nfs/dbraw/zinc/17/01/15/564170115.db2.gz 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CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2)N3)C1 ZINC000004556157 210220963 /nfs/dbraw/zinc/22/09/63/210220963.db2.gz ZOQNUXFLROJACB-INIZCTEOSA-N 1 1 343.452 3.564 50 0 EHAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(O)c2)N3)C1 ZINC000004554099 210220764 /nfs/dbraw/zinc/22/07/64/210220764.db2.gz GXIXPEXRYPYOFK-INIZCTEOSA-N 1 1 343.452 3.649 50 0 EHAAMO COc1ccc(-c2cc(N(C)CC[NH+](C)C)c3ccccc3n2)cc1 ZINC000004542898 210217413 /nfs/dbraw/zinc/21/74/13/210217413.db2.gz OABSDVIRNQZDHV-UHFFFAOYSA-N 1 1 335.451 3.908 50 0 EHAAMO CSc1ccc(C[N@H+](C)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000003430318 210037487 /nfs/dbraw/zinc/03/74/87/210037487.db2.gz BGOLFNSGBWMDTJ-UHFFFAOYSA-N 1 1 348.899 3.810 50 0 EHAAMO CSc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000003430318 210037490 /nfs/dbraw/zinc/03/74/90/210037490.db2.gz BGOLFNSGBWMDTJ-UHFFFAOYSA-N 1 1 348.899 3.810 50 0 EHAAMO C[N@H+](CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)cc1 ZINC000003338090 210011526 /nfs/dbraw/zinc/01/15/26/210011526.db2.gz RDXKUAOHMSPQHW-UHFFFAOYSA-N 1 1 337.250 3.742 50 0 EHAAMO C[N@@H+](CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)cc1 ZINC000003338090 210011531 /nfs/dbraw/zinc/01/15/31/210011531.db2.gz RDXKUAOHMSPQHW-UHFFFAOYSA-N 1 1 337.250 3.742 50 0 EHAAMO Cc1ccsc1C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000067692209 215187806 /nfs/dbraw/zinc/18/78/06/215187806.db2.gz ACVQGDUDLDBOMC-HNNXBMFYSA-N 1 1 329.469 3.700 50 0 EHAAMO CC[C@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2)CC[N@H+]1C(C)C ZINC000067740268 215199842 /nfs/dbraw/zinc/19/98/42/215199842.db2.gz PBFRKWPZSDNHKY-KRWDZBQOSA-N 1 1 343.496 3.755 50 0 EHAAMO Fc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c2ncccc12 ZINC000040091277 213262798 /nfs/dbraw/zinc/26/27/98/213262798.db2.gz GVSKFSJVTDACJG-UHFFFAOYSA-N 1 1 341.455 3.753 50 0 EHAAMO Fc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)c2ncccc12 ZINC000040091277 213262802 /nfs/dbraw/zinc/26/28/02/213262802.db2.gz GVSKFSJVTDACJG-UHFFFAOYSA-N 1 1 341.455 3.753 50 0 EHAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1ccccc1 ZINC000036451901 213098492 /nfs/dbraw/zinc/09/84/92/213098492.db2.gz JOWLYUCBGVOSBK-PBHICJAKSA-N 1 1 328.481 3.935 50 0 EHAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1 ZINC000036451901 213098496 /nfs/dbraw/zinc/09/84/96/213098496.db2.gz JOWLYUCBGVOSBK-PBHICJAKSA-N 1 1 328.481 3.935 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)o1 ZINC000036097936 213065029 /nfs/dbraw/zinc/06/50/29/213065029.db2.gz HHDKOGIWZFVWBV-SFHVURJKSA-N 1 1 349.446 3.905 50 0 EHAAMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1 ZINC000036098678 213065166 /nfs/dbraw/zinc/06/51/66/213065166.db2.gz IKXDVGXKLLMNCI-SFHVURJKSA-N 1 1 331.456 3.766 50 0 EHAAMO Cc1ccc(C)c(C[N@H+](C[C@@H](O)COCc2ccco2)C(C)C)c1 ZINC000036103856 213068751 /nfs/dbraw/zinc/06/87/51/213068751.db2.gz VZZWHCFSLMGCKP-LJQANCHMSA-N 1 1 331.456 3.685 50 0 EHAAMO COc1ccccc1C[N@@H+](CCC(C)C)C[C@H](O)COCC(C)C ZINC000036096215 213063550 /nfs/dbraw/zinc/06/35/50/213063550.db2.gz FVJIPXPVFRQWST-IBGZPJMESA-N 1 1 337.504 3.577 50 0 EHAAMO CC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000071748026 215805001 /nfs/dbraw/zinc/80/50/01/215805001.db2.gz MPXUXARUDFTISI-IBGZPJMESA-N 1 1 349.434 3.514 50 0 EHAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000071748026 215805004 /nfs/dbraw/zinc/80/50/04/215805004.db2.gz MPXUXARUDFTISI-IBGZPJMESA-N 1 1 349.434 3.514 50 0 EHAAMO FC(F)(F)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133503 216022693 /nfs/dbraw/zinc/02/26/93/216022693.db2.gz ZJKYACFVMNFLNS-KZNAEPCWSA-N 1 1 338.417 3.891 50 0 EHAAMO FC(F)(F)CCCN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133503 216022696 /nfs/dbraw/zinc/02/26/96/216022696.db2.gz ZJKYACFVMNFLNS-KZNAEPCWSA-N 1 1 338.417 3.891 50 0 EHAAMO Cn1ccc2cc(CN3CCC[N@@H+](Cc4cccs4)CC3)ccc21 ZINC000072145143 216030441 /nfs/dbraw/zinc/03/04/41/216030441.db2.gz NGIUNPNSCVXKMR-UHFFFAOYSA-N 1 1 339.508 3.948 50 0 EHAAMO Cn1ccc2cc(C[N@@H+]3CCCN(Cc4cccs4)CC3)ccc21 ZINC000072145143 216030442 /nfs/dbraw/zinc/03/04/42/216030442.db2.gz NGIUNPNSCVXKMR-UHFFFAOYSA-N 1 1 339.508 3.948 50 0 EHAAMO Cn1ccc2cc(C[N@H+]3CCCN(Cc4cccs4)CC3)ccc21 ZINC000072145143 216030445 /nfs/dbraw/zinc/03/04/45/216030445.db2.gz NGIUNPNSCVXKMR-UHFFFAOYSA-N 1 1 339.508 3.948 50 0 EHAAMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072146439 216033717 /nfs/dbraw/zinc/03/37/17/216033717.db2.gz YIYYGZCSNMHTRV-CQSZACIVSA-N 1 1 346.368 3.725 50 0 EHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072146439 216033720 /nfs/dbraw/zinc/03/37/20/216033720.db2.gz YIYYGZCSNMHTRV-CQSZACIVSA-N 1 1 346.368 3.725 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O ZINC000072152999 216041666 /nfs/dbraw/zinc/04/16/66/216041666.db2.gz GACWKHPVVFQUIJ-MRXNPFEDSA-N 1 1 345.414 3.831 50 0 EHAAMO CC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CC[N@H+]1C(C)C ZINC000072167654 216057972 /nfs/dbraw/zinc/05/79/72/216057972.db2.gz LBXZYAGHIIKTAI-IBGZPJMESA-N 1 1 330.520 3.829 50 0 EHAAMO C[N@@H+](Cc1ccc(-c2ccccc2)s1)CC1(CO)CCOCC1 ZINC000072169498 216060319 /nfs/dbraw/zinc/06/03/19/216060319.db2.gz KVODLWBVYRTINW-UHFFFAOYSA-N 1 1 331.481 3.636 50 0 EHAAMO CN1C[C@]2(CC[N@@H+](Cc3cccc4c5ccccc5oc43)C2)OC1=O ZINC000072409631 216200841 /nfs/dbraw/zinc/20/08/41/216200841.db2.gz SZNAKMBWYYKKCO-FQEVSTJZSA-N 1 1 336.391 3.613 50 0 EHAAMO CCNc1ccnc(N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458366 216244135 /nfs/dbraw/zinc/24/41/35/216244135.db2.gz LHDUAGBPOOLITO-INIZCTEOSA-N 1 1 345.878 3.638 50 0 EHAAMO C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000023580728 212383064 /nfs/dbraw/zinc/38/30/64/212383064.db2.gz UDFTUGITYZYFBR-NSHDSACASA-N 1 1 338.238 3.553 50 0 EHAAMO Cc1ccoc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000022619463 212311383 /nfs/dbraw/zinc/31/13/83/212311383.db2.gz UXSFLNUSCGQQTJ-MRXNPFEDSA-N 1 1 332.831 3.808 50 0 EHAAMO COc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000022199296 212281748 /nfs/dbraw/zinc/28/17/48/212281748.db2.gz NFLPIFBLUDLTAU-OAHLLOKOSA-N 1 1 330.453 3.922 50 0 EHAAMO COc1cc(OC)c(C[NH+]2CCC([C@H](O)C(C)C)CC2)cc1Cl ZINC000215130222 241108030 /nfs/dbraw/zinc/10/80/30/241108030.db2.gz SEQFGJRBLLSDNG-GOSISDBHSA-N 1 1 341.879 3.586 50 0 EHAAMO CC(C)[N@H+]1CCCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000215766771 241143136 /nfs/dbraw/zinc/14/31/36/241143136.db2.gz AGWKLNHPDQOLCD-UHFFFAOYSA-N 1 1 339.483 3.577 50 0 EHAAMO FC(F)Oc1ccccc1C[N@@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215817481 241147810 /nfs/dbraw/zinc/14/78/10/241147810.db2.gz YLNZHXREXDRGQP-KRWDZBQOSA-N 1 1 348.393 3.864 50 0 EHAAMO FC(F)Oc1ccccc1C[N@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215817481 241147819 /nfs/dbraw/zinc/14/78/19/241147819.db2.gz YLNZHXREXDRGQP-KRWDZBQOSA-N 1 1 348.393 3.864 50 0 EHAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000216307538 241180394 /nfs/dbraw/zinc/18/03/94/241180394.db2.gz WGFMPSWLZHGEAC-QGZVFWFLSA-N 1 1 347.890 3.525 50 0 EHAAMO OCCOc1ccccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000215465754 241125507 /nfs/dbraw/zinc/12/55/07/241125507.db2.gz VAWCYMZHCXGBBU-MRXNPFEDSA-N 1 1 331.843 3.701 50 0 EHAAMO c1[nH]c2ccccc2c1C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000022031785 212272826 /nfs/dbraw/zinc/27/28/26/212272826.db2.gz FBSGWYWDCQQCBK-UHFFFAOYSA-N 1 1 333.479 3.918 50 0 EHAAMO O[C@H](c1cc2n(n1)CCC[N@@H+](C/C=C/c1ccccc1)C2)C1CCC1 ZINC000218975212 241357818 /nfs/dbraw/zinc/35/78/18/241357818.db2.gz BDUNWBJJLLAUPJ-OWLMGLOSSA-N 1 1 337.467 3.636 50 0 EHAAMO O=C(c1c(F)cccc1F)N1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000225846932 242061145 /nfs/dbraw/zinc/06/11/45/242061145.db2.gz CZONSTQCJFWDIU-OAHLLOKOSA-N 1 1 334.410 3.612 50 0 EHAAMO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759561 242023297 /nfs/dbraw/zinc/02/32/97/242023297.db2.gz AGOJHLZNRXRQGA-DZFGPLHGSA-N 1 1 336.479 3.817 50 0 EHAAMO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCCc3ccccc3C2)C1 ZINC000225770491 242028905 /nfs/dbraw/zinc/02/89/05/242028905.db2.gz LZPUVCVYPYOPEU-GOSISDBHSA-N 1 1 334.463 3.597 50 0 EHAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc2c1CCCC2 ZINC000021175309 212213905 /nfs/dbraw/zinc/21/39/05/212213905.db2.gz ZJOIMZJTKXJFDA-MRXNPFEDSA-N 1 1 341.499 3.951 50 0 EHAAMO COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000020405005 212125384 /nfs/dbraw/zinc/12/53/84/212125384.db2.gz NVQGQGGIFCUOHG-UHFFFAOYSA-N 1 1 339.464 3.627 50 0 EHAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000020112206 212103534 /nfs/dbraw/zinc/10/35/34/212103534.db2.gz XQEGOSKIIOZULV-UONOGXRCSA-N 1 1 349.261 3.774 50 0 biogenic EHAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019809350 212070839 /nfs/dbraw/zinc/07/08/39/212070839.db2.gz XZDGGTZAEXTJDD-UHFFFAOYSA-N 1 1 328.431 3.542 50 0 EHAAMO CN1CC[NH+]([C@@H]2Cc3ccccc3Sc3cc(F)ccc32)CC1 ZINC000019802278 212069937 /nfs/dbraw/zinc/06/99/37/212069937.db2.gz JHVUZQFWNDBWDL-QGZVFWFLSA-N 1 1 328.456 3.822 50 0 EHAAMO OCC1CCN([C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000019792848 212068170 /nfs/dbraw/zinc/06/81/70/212068170.db2.gz PIXGWHSTYZZFJR-GOSISDBHSA-N 1 1 344.524 3.570 50 0 EHAAMO OCC1CC[NH+]([C@@H]2CCCN(Cc3cc4ccccc4s3)C2)CC1 ZINC000019792848 212068174 /nfs/dbraw/zinc/06/81/74/212068174.db2.gz PIXGWHSTYZZFJR-GOSISDBHSA-N 1 1 344.524 3.570 50 0 EHAAMO CSc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019782036 212067085 /nfs/dbraw/zinc/06/70/85/212067085.db2.gz RAQOHRXHTXANHI-UHFFFAOYSA-N 1 1 330.472 3.865 50 0 EHAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000019595510 212050299 /nfs/dbraw/zinc/05/02/99/212050299.db2.gz RMRUQHBLWZNKLP-OAHLLOKOSA-N 1 1 341.484 3.599 50 0 EHAAMO O=C(Nc1cccnc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019375398 212024297 /nfs/dbraw/zinc/02/42/97/212024297.db2.gz RVULDOSZJYLBSA-UHFFFAOYSA-N 1 1 343.430 3.892 50 0 EHAAMO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000078870254 217135298 /nfs/dbraw/zinc/13/52/98/217135298.db2.gz JFRSRINCEVTWCK-RISCZKNCSA-N 1 1 334.847 3.949 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3F)CC2)c(C)c1 ZINC000012451674 211386411 /nfs/dbraw/zinc/38/64/11/211386411.db2.gz UHUMCYYFCAPUAA-UHFFFAOYSA-N 1 1 340.442 3.677 50 0 EHAAMO O=C(CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1)NC1CC1 ZINC000012304338 211339839 /nfs/dbraw/zinc/33/98/39/211339839.db2.gz NFXRWSPDBBWNES-DUXHTMCSSA-N 1 1 330.447 3.610 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012298418 211337229 /nfs/dbraw/zinc/33/72/29/211337229.db2.gz XQTYSIPQLKEUKK-OAQYLSRUSA-N 1 1 327.443 3.951 50 0 EHAAMO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)cc(OC)c1O ZINC000012120293 211297040 /nfs/dbraw/zinc/29/70/40/211297040.db2.gz QPFIDUMVAKPNHA-HNNXBMFYSA-N 1 1 346.427 3.823 50 0 EHAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)cc(OC)c1O ZINC000012120293 211297044 /nfs/dbraw/zinc/29/70/44/211297044.db2.gz QPFIDUMVAKPNHA-HNNXBMFYSA-N 1 1 346.427 3.823 50 0 EHAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cc2ccccc2o1 ZINC000012025720 211281004 /nfs/dbraw/zinc/28/10/04/211281004.db2.gz HNHFTIBYNGTDTL-LJQANCHMSA-N 1 1 348.446 3.870 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)s1 ZINC000091829234 218071693 /nfs/dbraw/zinc/07/16/93/218071693.db2.gz DXTMQJFEENPSGX-ZWKOTPCHSA-N 1 1 327.497 3.548 50 0 EHAAMO Cc1c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)[nH]c2c1c(C)ccc2C ZINC000091769855 218062490 /nfs/dbraw/zinc/06/24/90/218062490.db2.gz ILHVHRXSMAXBII-GOSISDBHSA-N 1 1 347.462 3.880 50 0 EHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3ncccn3)CC2)C1 ZINC000092028540 218105785 /nfs/dbraw/zinc/10/57/85/218105785.db2.gz DVYJDMDTZSQOGP-LJQANCHMSA-N 1 1 336.483 3.573 50 0 EHAAMO CC[N@@H+](C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010434725 211172167 /nfs/dbraw/zinc/17/21/67/211172167.db2.gz WDLAPJSBMOTMOC-UQTNFYOXSA-N 1 1 335.532 3.987 50 0 EHAAMO CC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000095355274 218289555 /nfs/dbraw/zinc/28/95/55/218289555.db2.gz HCVNLIMOTJGCPX-JTHBVZDNSA-N 1 1 348.490 3.986 50 0 EHAAMO CC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 ZINC000095355274 218289557 /nfs/dbraw/zinc/28/95/57/218289557.db2.gz HCVNLIMOTJGCPX-JTHBVZDNSA-N 1 1 348.490 3.986 50 0 EHAAMO CC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 ZINC000095355274 218289558 /nfs/dbraw/zinc/28/95/58/218289558.db2.gz HCVNLIMOTJGCPX-JTHBVZDNSA-N 1 1 348.490 3.986 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000095359089 218291959 /nfs/dbraw/zinc/29/19/59/218291959.db2.gz LBLYBWYPRBFJGY-UHFFFAOYSA-N 1 1 343.446 3.592 50 0 EHAAMO CC(C)Cc1ccc(C[NH2+][C@H](c2nnc3n2CCC3)C(C)C)cc1 ZINC000095410405 218347321 /nfs/dbraw/zinc/34/73/21/218347321.db2.gz CQIGLVDUXHVHNS-IBGZPJMESA-N 1 1 326.488 3.910 50 0 EHAAMO CC(C)(C)OC[C@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000007636326 210823365 /nfs/dbraw/zinc/82/33/65/210823365.db2.gz XLTTYAARRSXXTO-OAQYLSRUSA-N 1 1 341.495 3.907 50 0 EHAAMO Clc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000057292133 132199374 /nfs/dbraw/zinc/19/93/74/132199374.db2.gz KKMXLUFPOSGWIC-UHFFFAOYSA-N 1 1 344.871 3.667 50 0 EHAAMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccccc1SC(F)F ZINC000225567254 526475702 /nfs/dbraw/zinc/47/57/02/526475702.db2.gz ZRGNEHKDARQMID-UHFFFAOYSA-N 1 1 337.395 3.505 50 0 EHAAMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3cccc(COC)c3)c2C1 ZINC000187504392 528327978 /nfs/dbraw/zinc/32/79/78/528327978.db2.gz GPPPBOMGARPMEO-UHFFFAOYSA-N 1 1 338.451 3.740 50 0 EHAAMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3cccc(COC)c3)c2C1 ZINC000187504392 528327981 /nfs/dbraw/zinc/32/79/81/528327981.db2.gz GPPPBOMGARPMEO-UHFFFAOYSA-N 1 1 338.451 3.740 50 0 EHAAMO O=C(Nc1cccc2[nH]ccc21)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000071896120 563492590 /nfs/dbraw/zinc/49/25/90/563492590.db2.gz SBRKXTIRUADFMT-LJQANCHMSA-N 1 1 334.423 3.556 50 0 EHAAMO O=C(Nc1cccc2[nH]ccc21)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000071896120 563492595 /nfs/dbraw/zinc/49/25/95/563492595.db2.gz SBRKXTIRUADFMT-LJQANCHMSA-N 1 1 334.423 3.556 50 0 EHAAMO CCS[C@@H]1CCCC[N@H+](Cc2nnc(Cc3ccccc3)o2)C1 ZINC000071899680 563497585 /nfs/dbraw/zinc/49/75/85/563497585.db2.gz KVFRFWQNRDYSSM-MRXNPFEDSA-N 1 1 331.485 3.768 50 0 EHAAMO CCS[C@@H]1CCCC[N@@H+](Cc2nnc(Cc3ccccc3)o2)C1 ZINC000071899680 563497590 /nfs/dbraw/zinc/49/75/90/563497590.db2.gz KVFRFWQNRDYSSM-MRXNPFEDSA-N 1 1 331.485 3.768 50 0 EHAAMO CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)CCC4)C1 ZINC000005006311 563518581 /nfs/dbraw/zinc/51/85/81/563518581.db2.gz LHHSKMHGVUIVSB-KRWDZBQOSA-N 1 1 338.451 3.811 50 0 EHAAMO CCOC(=O)C1CC[NH+](CCOc2c(C)cc(C)cc2Cl)CC1 ZINC000006704075 563581145 /nfs/dbraw/zinc/58/11/45/563581145.db2.gz ZVYSLDZTYTVSTO-UHFFFAOYSA-N 1 1 339.863 3.611 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCCOc2cccc(OCC)c2)C1 ZINC000006727395 563583128 /nfs/dbraw/zinc/58/31/28/563583128.db2.gz JNXCQSZQHFKSMO-KRWDZBQOSA-N 1 1 349.471 3.519 50 0 EHAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCc1cccs1 ZINC000008746443 563639190 /nfs/dbraw/zinc/63/91/90/563639190.db2.gz UXABKIVQBUVXLN-OAHLLOKOSA-N 1 1 343.496 3.855 50 0 EHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000012715138 563669139 /nfs/dbraw/zinc/66/91/39/563669139.db2.gz RXYBJHRVMSZWJT-GOSISDBHSA-N 1 1 341.455 3.568 50 0 EHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000012715138 563669140 /nfs/dbraw/zinc/66/91/40/563669140.db2.gz RXYBJHRVMSZWJT-GOSISDBHSA-N 1 1 341.455 3.568 50 0 EHAAMO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012745474 563669858 /nfs/dbraw/zinc/66/98/58/563669858.db2.gz RUXKFNZBBLVLAZ-MRXNPFEDSA-N 1 1 327.399 3.929 50 0 EHAAMO COc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000012745474 563669862 /nfs/dbraw/zinc/66/98/62/563669862.db2.gz RUXKFNZBBLVLAZ-MRXNPFEDSA-N 1 1 327.399 3.929 50 0 EHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)NCc1cccc(Cl)c1 ZINC000013040366 563686113 /nfs/dbraw/zinc/68/61/13/563686113.db2.gz RQRITMIXXRNLFG-UHFFFAOYSA-N 1 1 340.854 3.746 50 0 EHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)NCc1cccc(Cl)c1 ZINC000013040366 563686116 /nfs/dbraw/zinc/68/61/16/563686116.db2.gz RQRITMIXXRNLFG-UHFFFAOYSA-N 1 1 340.854 3.746 50 0 EHAAMO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H]1CCCc2ccccc21 ZINC000032753298 563727308 /nfs/dbraw/zinc/72/73/08/563727308.db2.gz WYFJATNAXLTRIZ-MRXNPFEDSA-N 1 1 341.455 3.920 50 0 EHAAMO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H]1CCCc2ccccc21 ZINC000032753298 563727310 /nfs/dbraw/zinc/72/73/10/563727310.db2.gz WYFJATNAXLTRIZ-MRXNPFEDSA-N 1 1 341.455 3.920 50 0 EHAAMO Cn1cccc1[C@@H]1CCC[N@H+]1[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014070432 563737763 /nfs/dbraw/zinc/73/77/63/563737763.db2.gz AYWSYBGARSBCCX-VQTJNVASSA-N 1 1 337.467 3.526 50 0 EHAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000014095269 563739992 /nfs/dbraw/zinc/73/99/92/563739992.db2.gz UTMMFKWCNSQSGR-UHFFFAOYSA-N 1 1 327.403 3.566 50 0 EHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000026494034 563891927 /nfs/dbraw/zinc/89/19/27/563891927.db2.gz DQGJCELNGPAFAU-QPCUBCJCSA-N 1 1 338.495 3.594 50 0 EHAAMO CSc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000029483491 563906728 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Cc1cccc(NC2CCN(C(=O)Nc3cccnc3Cl)CC2)[nH+]1 ZINC000096419821 563951423 /nfs/dbraw/zinc/95/14/23/563951423.db2.gz FYUWQWCKENNZCF-UHFFFAOYSA-N 1 1 345.834 3.547 50 0 EHAAMO C[C@H](CC[N@H+]1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000065393468 563959349 /nfs/dbraw/zinc/95/93/49/563959349.db2.gz ZWFAJKNJPKCWLF-QGZVFWFLSA-N 1 1 326.440 3.621 50 0 EHAAMO CC(=O)N(CC1=CCC[N@@H+](CCCF)C1)[C@H]1CCCc2ccccc21 ZINC000065469218 563961361 /nfs/dbraw/zinc/96/13/61/563961361.db2.gz RIVAWUPGETZXTP-NRFANRHFSA-N 1 1 344.474 3.904 50 0 EHAAMO COc1cccc(-c2nc(C[NH+]3CC(c4ccncc4)C3)c(C)o2)c1 ZINC000071746938 563964972 /nfs/dbraw/zinc/96/49/72/563964972.db2.gz QQPXZPWFAXYJCD-UHFFFAOYSA-N 1 1 335.407 3.653 50 0 EHAAMO Nc1ncccc1C[N@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071770911 563965642 /nfs/dbraw/zinc/96/56/42/563965642.db2.gz GSQXENQZEUXIMW-CQSZACIVSA-N 1 1 331.410 3.787 50 0 EHAAMO CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000071775532 563965703 /nfs/dbraw/zinc/96/57/03/563965703.db2.gz 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ZINC000007039198 564103534 /nfs/dbraw/zinc/10/35/34/564103534.db2.gz FQPXXILMUALQQF-QGZVFWFLSA-N 1 1 331.847 3.763 50 0 EHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039198 564103535 /nfs/dbraw/zinc/10/35/35/564103535.db2.gz FQPXXILMUALQQF-QGZVFWFLSA-N 1 1 331.847 3.763 50 0 EHAAMO COc1ccccc1C[C@H](C)[NH2+]Cc1noc(-c2cccc(F)c2)n1 ZINC000170088949 564105436 /nfs/dbraw/zinc/10/54/36/564105436.db2.gz RKOWQGQGPALMLH-ZDUSSCGKSA-N 1 1 341.386 3.605 50 0 EHAAMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000065621453 564108437 /nfs/dbraw/zinc/10/84/37/564108437.db2.gz SFQROAPAEXZMAY-CQSZACIVSA-N 1 1 342.374 3.552 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000065621453 564108438 /nfs/dbraw/zinc/10/84/38/564108438.db2.gz SFQROAPAEXZMAY-CQSZACIVSA-N 1 1 342.374 3.552 50 0 EHAAMO Cc1csc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000089705763 564113243 /nfs/dbraw/zinc/11/32/43/564113243.db2.gz WWPFDLHYIJYRJC-OAHLLOKOSA-N 1 1 336.505 3.618 50 0 EHAAMO O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834925 564114137 /nfs/dbraw/zinc/11/41/37/564114137.db2.gz UPKGNRFSSYIUCS-HXUWFJFHSA-N 1 1 346.434 3.680 50 0 EHAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccc(Br)cc2)C1 ZINC000002822070 564116931 /nfs/dbraw/zinc/11/69/31/564116931.db2.gz CRDTXVYLNIOFSH-CQSZACIVSA-N 1 1 342.277 3.576 50 0 EHAAMO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541186 564123629 /nfs/dbraw/zinc/12/36/29/564123629.db2.gz BSDGIYBDHXKABB-QXAKKESOSA-N 1 1 346.515 3.768 50 0 EHAAMO O=C(OCCCc1cccnc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095461502 564140779 /nfs/dbraw/zinc/14/07/79/564140779.db2.gz XQNGSUQAGWAVMR-FQEVSTJZSA-N 1 1 338.451 3.612 50 0 EHAAMO O=C(OCCCc1cccnc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095461502 564140780 /nfs/dbraw/zinc/14/07/80/564140780.db2.gz XQNGSUQAGWAVMR-FQEVSTJZSA-N 1 1 338.451 3.612 50 0 EHAAMO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095958173 564142599 /nfs/dbraw/zinc/14/25/99/564142599.db2.gz QBIAFLACXLVAPU-NSISKUIASA-N 1 1 341.499 3.796 50 0 EHAAMO CC(C)c1csc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000670434020 564156538 /nfs/dbraw/zinc/15/65/38/564156538.db2.gz LARIQOZFTSTBRD-ZDUSSCGKSA-N 1 1 349.525 3.722 50 0 EHAAMO CC(C)c1csc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000670434020 564156539 /nfs/dbraw/zinc/15/65/39/564156539.db2.gz LARIQOZFTSTBRD-ZDUSSCGKSA-N 1 1 349.525 3.722 50 0 EHAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000008214289 564163599 /nfs/dbraw/zinc/16/35/99/564163599.db2.gz MFCGVRAPNCEHES-AWEZNQCLSA-N 1 1 330.403 3.683 50 0 EHAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000008214289 564163600 /nfs/dbraw/zinc/16/36/00/564163600.db2.gz MFCGVRAPNCEHES-AWEZNQCLSA-N 1 1 330.403 3.683 50 0 EHAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000008394283 564165077 /nfs/dbraw/zinc/16/50/77/564165077.db2.gz WAUVNKJYZMPVJR-STQMWFEESA-N 1 1 332.271 3.998 50 0 EHAAMO CCc1nnsc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000040119471 564168183 /nfs/dbraw/zinc/16/81/83/564168183.db2.gz GDWBHPYNBMMMAR-ZDUSSCGKSA-N 1 1 344.484 3.727 50 0 EHAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000069435205 564169459 /nfs/dbraw/zinc/16/94/59/564169459.db2.gz YAFQCTJCUZSRRZ-AWEZNQCLSA-N 1 1 342.468 3.825 50 0 EHAAMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000069625992 564171017 /nfs/dbraw/zinc/17/10/17/564171017.db2.gz ZMVKBDWLRLBTSP-OAHLLOKOSA-N 1 1 336.464 3.898 50 0 EHAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000069894976 564172722 /nfs/dbraw/zinc/17/27/22/564172722.db2.gz KBIAUKMTYOKFJC-HNNXBMFYSA-N 1 1 328.441 3.573 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)[nH+]1 ZINC000070036617 564173437 /nfs/dbraw/zinc/17/34/37/564173437.db2.gz UBOWMTADAXGBHZ-UHFFFAOYSA-N 1 1 346.381 3.777 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000071875879 564176214 /nfs/dbraw/zinc/17/62/14/564176214.db2.gz BWZOJNDYOHEYDE-GOSISDBHSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000071875879 564176215 /nfs/dbraw/zinc/17/62/15/564176215.db2.gz BWZOJNDYOHEYDE-GOSISDBHSA-N 1 1 340.402 3.650 50 0 EHAAMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875259 564176276 /nfs/dbraw/zinc/17/62/76/564176276.db2.gz QDPHAJQAFUVOOM-UONOGXRCSA-N 1 1 343.456 3.610 50 0 EHAAMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875259 564176277 /nfs/dbraw/zinc/17/62/77/564176277.db2.gz QDPHAJQAFUVOOM-UONOGXRCSA-N 1 1 343.456 3.610 50 0 EHAAMO COCCCn1c(C)cnc1[C@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000169788034 1032652816 /nfs/dbraw/zinc/65/28/16/1032652816.db2.gz DAJLCQPAGYJBMN-INIZCTEOSA-N 1 1 333.501 3.587 50 0 EHAAMO c1cc(-c2nc(CO[C@H]3CCC[N@@H+](CC4CCCCC4)C3)no2)co1 ZINC000257175964 1034666552 /nfs/dbraw/zinc/66/65/52/1034666552.db2.gz ACUDOGKKUCZSHT-KRWDZBQOSA-N 1 1 345.443 3.891 50 0 EHAAMO O[C@H](C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000106110126 1041558874 /nfs/dbraw/zinc/55/88/74/1041558874.db2.gz SJFFCYPRQWBAEB-RTWAWAEBSA-N 1 1 336.410 3.766 50 0 EHAAMO O[C@H](C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000106110126 1041558884 /nfs/dbraw/zinc/55/88/84/1041558884.db2.gz SJFFCYPRQWBAEB-RTWAWAEBSA-N 1 1 336.410 3.766 50 0 EHAAMO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ncccc1C)[N@@H+](C)CC ZINC000823061320 1131036284 /nfs/dbraw/zinc/03/62/84/1131036284.db2.gz OGBKWHALINULEO-FQEVSTJZSA-N 1 1 339.483 3.649 50 0 EHAAMO C[N@H+](Cc1ccc(C2CCCCC2)s1)C1CCS(=O)(=O)CC1 ZINC000823668465 1131077989 /nfs/dbraw/zinc/07/79/89/1131077989.db2.gz SLBHLLWMTYCSRB-UHFFFAOYSA-N 1 1 341.542 3.805 50 0 EHAAMO C[N@@H+](Cc1ccc(C2CCCCC2)s1)C1CCS(=O)(=O)CC1 ZINC000823668465 1131077994 /nfs/dbraw/zinc/07/79/94/1131077994.db2.gz SLBHLLWMTYCSRB-UHFFFAOYSA-N 1 1 341.542 3.805 50 0 EHAAMO Cc1cnc(C[C@H]2CC[N@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546646 1131572251 /nfs/dbraw/zinc/57/22/51/1131572251.db2.gz RYGDNQQALKNSPU-HXUWFJFHSA-N 1 1 348.494 3.643 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)C2CCCCC2)n1Cc1ccc(F)cc1 ZINC000581817129 1132375023 /nfs/dbraw/zinc/37/50/23/1132375023.db2.gz RLKSVPFBQDKPGW-UHFFFAOYSA-N 1 1 343.446 3.618 50 0 EHAAMO Cc1ncc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)o1 ZINC000862252007 1137479595 /nfs/dbraw/zinc/47/95/95/1137479595.db2.gz AUAOJRSYOCEMJQ-JOCHJYFZSA-N 1 1 348.446 3.819 50 0 EHAAMO C[C@H](C[N@@H+](C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1 ZINC000952989187 1137485744 /nfs/dbraw/zinc/48/57/44/1137485744.db2.gz VNXHLBQOEGIKJN-MRXNPFEDSA-N 1 1 336.545 3.948 50 0 EHAAMO O=C(C(c1ccccc1)c1ccccc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827654468 1139882556 /nfs/dbraw/zinc/88/25/56/1139882556.db2.gz QGUBBULVPQEZSL-UHFFFAOYSA-N 1 1 348.490 3.905 50 0 EHAAMO CN1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654200 219044212 /nfs/dbraw/zinc/04/42/12/219044212.db2.gz OMNUJLIHFVINGN-SFHVURJKSA-N 1 1 347.572 3.618 50 0 EHAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803865 214146661 /nfs/dbraw/zinc/14/66/61/214146661.db2.gz AGEQNJHVJLUIKM-CZUORRHYSA-N 1 1 346.521 3.920 50 0 EHAAMO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc(OC)c1 ZINC000052803199 214146914 /nfs/dbraw/zinc/14/69/14/214146914.db2.gz CKIGHJRQJVZLDO-KRWDZBQOSA-N 1 1 346.452 3.541 50 0 EHAAMO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc(OC)c1 ZINC000052803199 214146916 /nfs/dbraw/zinc/14/69/16/214146916.db2.gz CKIGHJRQJVZLDO-KRWDZBQOSA-N 1 1 346.452 3.541 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000055091028 214272494 /nfs/dbraw/zinc/27/24/94/214272494.db2.gz VWWKYLCIWSMXSP-KRWDZBQOSA-N 1 1 341.480 3.707 50 0 EHAAMO Cc1ccc(O)c(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)n1 ZINC000055120084 214275617 /nfs/dbraw/zinc/27/56/17/214275617.db2.gz JWVUJSINFSZFIO-UHFFFAOYSA-N 1 1 337.398 3.832 50 0 EHAAMO Cc1ccc(O)c(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)n1 ZINC000055120084 214275620 /nfs/dbraw/zinc/27/56/20/214275620.db2.gz JWVUJSINFSZFIO-UHFFFAOYSA-N 1 1 337.398 3.832 50 0 EHAAMO Clc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1Cl ZINC000097797728 219057773 /nfs/dbraw/zinc/05/77/73/219057773.db2.gz XNOLBYYYTJNYEC-HNNXBMFYSA-N 1 1 343.298 3.680 50 0 EHAAMO Clc1cccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1Cl ZINC000097797728 219057775 /nfs/dbraw/zinc/05/77/75/219057775.db2.gz XNOLBYYYTJNYEC-HNNXBMFYSA-N 1 1 343.298 3.680 50 0 EHAAMO Clc1cccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)c1Cl ZINC000097797728 219057776 /nfs/dbraw/zinc/05/77/76/219057776.db2.gz XNOLBYYYTJNYEC-HNNXBMFYSA-N 1 1 343.298 3.680 50 0 EHAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1cc2ccccc2o1 ZINC000098055211 219075218 /nfs/dbraw/zinc/07/52/18/219075218.db2.gz FYYXPJOZBQUVEH-SBKIPFDTSA-N 1 1 326.440 3.683 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2)N3)C1 ZINC000004555608 210220819 /nfs/dbraw/zinc/22/08/19/210220819.db2.gz GZRMWNYCEIEVBH-MRXNPFEDSA-N 1 1 343.452 3.564 50 0 EHAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000062130006 214700483 /nfs/dbraw/zinc/70/04/83/214700483.db2.gz TYSCQVQBJAVDBV-UHFFFAOYSA-N 1 1 347.409 3.837 50 0 EHAAMO CCCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000067447232 215147423 /nfs/dbraw/zinc/14/74/23/215147423.db2.gz DVZZZIBJKFTFON-OAQYLSRUSA-N 1 1 328.500 3.918 50 0 EHAAMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000067559246 215161949 /nfs/dbraw/zinc/16/19/49/215161949.db2.gz TUQIBHIHSGGTIV-OAHLLOKOSA-N 1 1 325.412 3.552 50 0 EHAAMO CC[C@@H](O)C[N@H+]1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 ZINC000067696229 215189604 /nfs/dbraw/zinc/18/96/04/215189604.db2.gz UXCRMKHNMFAZGK-MRXNPFEDSA-N 1 1 347.480 3.697 50 0 EHAAMO CC(C)(C)c1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCC(C)(C)C2)n1 ZINC000067714022 215192754 /nfs/dbraw/zinc/19/27/54/215192754.db2.gz AWXJXPBMUIDDMW-UHFFFAOYSA-N 1 1 339.483 3.966 50 0 EHAAMO Oc1cccc2ccc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)nc12 ZINC000067894847 215244454 /nfs/dbraw/zinc/24/44/54/215244454.db2.gz FRPXPKHQWNOGOG-LJQANCHMSA-N 1 1 349.434 3.517 50 0 EHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C)c(C)o2)c(OC)c1C ZINC000067964945 215260800 /nfs/dbraw/zinc/26/08/00/215260800.db2.gz KZMYFSLQBJMDDF-LBPRGKRZSA-N 1 1 330.428 3.960 50 0 EHAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000036103084 213067658 /nfs/dbraw/zinc/06/76/58/213067658.db2.gz DYSMTKSLBBGUQY-GOSISDBHSA-N 1 1 331.431 3.784 50 0 EHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103513 213066488 /nfs/dbraw/zinc/06/64/88/213066488.db2.gz KSFHUSZMMUAVQX-KRWDZBQOSA-N 1 1 337.460 3.675 50 0 EHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cc(C)ccc1C)[C@@H](C)CC ZINC000036031953 213057590 /nfs/dbraw/zinc/05/75/90/213057590.db2.gz AMJPXWUZBPWAJA-HKUYNNGSSA-N 1 1 335.488 3.608 50 0 EHAAMO Clc1ccc(OCCCCC[NH+]2CCNCC2)c2ccccc12 ZINC000035606281 213041535 /nfs/dbraw/zinc/04/15/35/213041535.db2.gz MUPMUQABVLQPGF-UHFFFAOYSA-N 1 1 332.875 3.948 50 0 EHAAMO CC(C)c1ccc(-n2cc(C[NH+]3CC(c4cccnc4)C3)cn2)cc1 ZINC000072135579 216025263 /nfs/dbraw/zinc/02/52/63/216025263.db2.gz GBGRVQQFQVLPSZ-UHFFFAOYSA-N 1 1 332.451 3.990 50 0 EHAAMO Cc1cccc2nc(C3CC[NH+](Cc4cccc5nonc54)CC3)[nH]c21 ZINC000072151000 216039856 /nfs/dbraw/zinc/03/98/56/216039856.db2.gz INROGIBEVIYWAE-UHFFFAOYSA-N 1 1 347.422 3.787 50 0 EHAAMO Cn1ncc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)c1C1CC1 ZINC000072150017 216037940 /nfs/dbraw/zinc/03/79/40/216037940.db2.gz KOAGHIMUMBPDMO-HNNXBMFYSA-N 1 1 343.446 3.728 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043345 /nfs/dbraw/zinc/04/33/45/216043345.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 1 1 326.431 3.840 50 0 EHAAMO Cc1ccn2cc(C[N@@H+]3CCC[C@H](C(=O)Cc4ccccc4)C3)nc2c1 ZINC000072168955 216060882 /nfs/dbraw/zinc/06/08/82/216060882.db2.gz KXDKWPBKSLAGKE-IBGZPJMESA-N 1 1 347.462 3.667 50 0 EHAAMO Cc1ccn2cc(C[N@H+]3CCC[C@H](C(=O)Cc4ccccc4)C3)nc2c1 ZINC000072168955 216060886 /nfs/dbraw/zinc/06/08/86/216060886.db2.gz KXDKWPBKSLAGKE-IBGZPJMESA-N 1 1 347.462 3.667 50 0 EHAAMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(-n2cccn2)cc1 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EHAAMO C[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H](O)c1ccccc1 ZINC000023280979 212366861 /nfs/dbraw/zinc/36/68/61/212366861.db2.gz UCOVVUJHUBIZDM-MRXNPFEDSA-N 1 1 338.220 3.754 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000215029171 241103143 /nfs/dbraw/zinc/10/31/43/241103143.db2.gz VMRBTNMEAIZQQU-HXUWFJFHSA-N 1 1 334.423 3.613 50 0 EHAAMO Cc1ccc(C)c(NC(=O)NC[C@@H]2C[N@H+](C)C[C@@H]2c2cccs2)c1 ZINC000227150492 242121499 /nfs/dbraw/zinc/12/14/99/242121499.db2.gz HQXXJXUBJQJMPH-CVEARBPZSA-N 1 1 343.496 3.832 50 0 EHAAMO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000021556508 212231737 /nfs/dbraw/zinc/23/17/37/212231737.db2.gz AQWIODDAPYYCHG-OAHLLOKOSA-N 1 1 345.443 3.656 50 0 EHAAMO Cc1ccc(NCCCNC(=O)CSc2ccccc2Cl)[nH+]c1 ZINC000076017898 216684119 /nfs/dbraw/zinc/68/41/19/216684119.db2.gz UTHJQBFNKJQREX-UHFFFAOYSA-N 1 1 349.887 3.754 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)Nc3ccccc3F)C2)cc1 ZINC000020889901 212181626 /nfs/dbraw/zinc/18/16/26/212181626.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000064034188 564133935 /nfs/dbraw/zinc/13/39/35/564133935.db2.gz ZHDQSHASPMOJOI-HXUWFJFHSA-N 1 1 330.472 3.910 50 0 EHAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000095954892 564142483 /nfs/dbraw/zinc/14/24/83/564142483.db2.gz GEEPZPGWBFNJLF-VQTJNVASSA-N 1 1 341.499 3.625 50 0 EHAAMO CCc1cnc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000095973123 564143480 /nfs/dbraw/zinc/14/34/80/564143480.db2.gz VGDWDZGGGZWPGP-YIONKMFJSA-N 1 1 349.475 3.599 50 0 EHAAMO CCc1cnc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000095973123 564143481 /nfs/dbraw/zinc/14/34/81/564143481.db2.gz VGDWDZGGGZWPGP-YIONKMFJSA-N 1 1 349.475 3.599 50 0 EHAAMO CC(C)n1cnc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000225604372 564149943 /nfs/dbraw/zinc/14/99/43/564149943.db2.gz IYASYIGZVMTCJJ-UHFFFAOYSA-N 1 1 347.488 3.549 50 0 EHAAMO Cc1cccc(NC(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225687895 564150275 /nfs/dbraw/zinc/15/02/75/564150275.db2.gz JNMGSSXGBDGNTM-HXUWFJFHSA-N 1 1 335.451 3.660 50 0 EHAAMO CN(c1ccccc1)c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000670434369 564156768 /nfs/dbraw/zinc/15/67/68/564156768.db2.gz BJAQRUVYRHCZSR-UHFFFAOYSA-N 1 1 347.466 3.952 50 0 EHAAMO COCC[N@H+]1CCC[C@H](CN(C)c2nc(-c3ccccc3)cs2)C1 ZINC000670434617 564156781 /nfs/dbraw/zinc/15/67/81/564156781.db2.gz ZDESVRZEGZASQC-MRXNPFEDSA-N 1 1 345.512 3.605 50 0 EHAAMO Cc1ccc2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)cc(=O)n2c1 ZINC000008126265 564162918 /nfs/dbraw/zinc/16/29/18/564162918.db2.gz ZFCVMDBBXZKKLA-IBGZPJMESA-N 1 1 333.435 3.512 50 0 EHAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000670469150 564163046 /nfs/dbraw/zinc/16/30/46/564163046.db2.gz WDASLCMFUVEPDU-NEPJUHHUSA-N 1 1 346.780 3.668 50 0 EHAAMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)c2C1 ZINC000066761227 564164017 /nfs/dbraw/zinc/16/40/17/564164017.db2.gz JWXIVGVJVFYQCD-UHFFFAOYSA-N 1 1 347.418 3.506 50 0 EHAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008714126 564166650 /nfs/dbraw/zinc/16/66/50/564166650.db2.gz VWAHAFKOKBCVST-UHFFFAOYSA-N 1 1 330.428 3.657 50 0 EHAAMO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)c(C)n1C(C)C ZINC000069873440 564172592 /nfs/dbraw/zinc/17/25/92/564172592.db2.gz QDNIOLUUSGBSPK-KRWDZBQOSA-N 1 1 328.460 3.668 50 0 EHAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000070021686 564173340 /nfs/dbraw/zinc/17/33/40/564173340.db2.gz FYJMLROVGZYTSJ-DOTOQJQBSA-N 1 1 337.427 3.549 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000009647244 564174358 /nfs/dbraw/zinc/17/43/58/564174358.db2.gz HPZFWZRVZYQFJM-SJORKVTESA-N 1 1 329.488 3.736 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1CCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000071811026 564175595 /nfs/dbraw/zinc/17/55/95/564175595.db2.gz KADMHECSHNYCPA-MRXNPFEDSA-N 1 1 347.466 3.978 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000071876697 564176297 /nfs/dbraw/zinc/17/62/97/564176297.db2.gz BHYFQUPNWJTURC-GOSISDBHSA-N 1 1 335.455 3.626 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000071876697 564176298 /nfs/dbraw/zinc/17/62/98/564176298.db2.gz BHYFQUPNWJTURC-GOSISDBHSA-N 1 1 335.455 3.626 50 0 EHAAMO Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)CC(F)(F)F)n1C(C)C ZINC000257189673 1038513700 /nfs/dbraw/zinc/51/37/00/1038513700.db2.gz JRAREXFIUXJCET-ZDUSSCGKSA-N 1 1 331.382 3.648 50 0 EHAAMO c1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078097 1039713110 /nfs/dbraw/zinc/71/31/10/1039713110.db2.gz KHJGVIHWNXKXPN-WIYYLYMNSA-N 1 1 342.483 3.644 50 0 EHAAMO O[C@@H](COCc1cccs1)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000106107575 1041556778 /nfs/dbraw/zinc/55/67/78/1041556778.db2.gz RPOMHHYLUHXVNV-SJLPKXTDSA-N 1 1 335.444 3.602 50 0 EHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000004982701 1042715044 /nfs/dbraw/zinc/71/50/44/1042715044.db2.gz DASOULIRFQZZOD-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000004982701 1042715050 /nfs/dbraw/zinc/71/50/50/1042715050.db2.gz DASOULIRFQZZOD-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO C[N@@H+](Cc1ccsc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012278994 1129474023 /nfs/dbraw/zinc/47/40/23/1129474023.db2.gz GITDUCQXKZQGJL-SFHVURJKSA-N 1 1 328.481 3.761 50 0 EHAAMO O=C(NCCc1cccs1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647779 1131392171 /nfs/dbraw/zinc/39/21/71/1131392171.db2.gz YKYTXEFDBKVSNM-GOSISDBHSA-N 1 1 346.471 3.773 50 0 EHAAMO CC(C)Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)s1 ZINC000821459794 1130934420 /nfs/dbraw/zinc/93/44/20/1130934420.db2.gz AYQNXPXOQOWASQ-UHFFFAOYSA-N 1 1 344.524 3.970 50 0 EHAAMO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000821508501 1130937943 /nfs/dbraw/zinc/93/79/43/1130937943.db2.gz XRIKZCFRNWXAQL-CYBMUJFWSA-N 1 1 345.878 3.641 50 0 EHAAMO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1[nH]nc2c1CCCCC2 ZINC000823717597 1131080181 /nfs/dbraw/zinc/08/01/81/1131080181.db2.gz XVVVKDXBSJOUMH-UHFFFAOYSA-N 1 1 341.484 3.762 50 0 EHAAMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1[nH]nc2c1CCCCC2 ZINC000823717597 1131080187 /nfs/dbraw/zinc/08/01/87/1131080187.db2.gz XVVVKDXBSJOUMH-UHFFFAOYSA-N 1 1 341.484 3.762 50 0 EHAAMO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000823777494 1131081550 /nfs/dbraw/zinc/08/15/50/1131081550.db2.gz BRGRIVOURYJNMH-SFHVURJKSA-N 1 1 343.471 3.547 50 0 EHAAMO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000823777494 1131081552 /nfs/dbraw/zinc/08/15/52/1131081552.db2.gz BRGRIVOURYJNMH-SFHVURJKSA-N 1 1 343.471 3.547 50 0 EHAAMO Cc1cnc(C2CCOCC2)n1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581807141 1132370302 /nfs/dbraw/zinc/37/03/02/1132370302.db2.gz DHJISZPZVSCHBR-IBGZPJMESA-N 1 1 325.456 3.533 50 0 EHAAMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2nc(C3OCCO3)cs2)c1 ZINC000585120660 1137012120 /nfs/dbraw/zinc/01/21/20/1137012120.db2.gz DGKKJVFJTIVFGH-ZDUSSCGKSA-N 1 1 330.453 3.840 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC000585138145 1137022637 /nfs/dbraw/zinc/02/26/37/1137022637.db2.gz RGOSTRZTMDQGNW-ZDUSSCGKSA-N 1 1 347.846 3.843 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1ccncc1)C1CCCCC1 ZINC000952869138 1137483065 /nfs/dbraw/zinc/48/30/65/1137483065.db2.gz IQZBQUQJSXYJJU-UHFFFAOYSA-N 1 1 340.471 3.592 50 0 EHAAMO Cc1nc([C@@H](C)[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)no1 ZINC000952961817 1137483821 /nfs/dbraw/zinc/48/38/21/1137483821.db2.gz KABVLTFMDWUFRU-FHTBDLFWSA-N 1 1 343.471 3.982 50 0 EHAAMO [NH3+][C@H]1CCC[C@@H](c2n[nH]c(Cc3c(Cl)cccc3Cl)n2)C1 ZINC000952981152 1137485366 /nfs/dbraw/zinc/48/53/66/1137485366.db2.gz ZOBWKIWNUPDOMU-ZJUUUORDSA-N 1 1 325.243 3.687 50 0 EHAAMO COc1ccc(F)c(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c1 ZINC000952991325 1137486028 /nfs/dbraw/zinc/48/60/28/1137486028.db2.gz XBXLSVUQEKWGCI-GOSISDBHSA-N 1 1 335.444 3.841 50 0 EHAAMO C[C@H](CNC(=O)c1coc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000113024901 1140771246 /nfs/dbraw/zinc/77/12/46/1140771246.db2.gz VPTWJCKONVDGDX-CYBMUJFWSA-N 1 1 340.448 3.671 50 0 EHAAMO C[C@H](CNC(=O)c1coc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000113024901 1140771250 /nfs/dbraw/zinc/77/12/50/1140771250.db2.gz VPTWJCKONVDGDX-CYBMUJFWSA-N 1 1 340.448 3.671 50 0 EHAAMO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2Cn2cccn2)no1 ZINC000097642606 219044458 /nfs/dbraw/zinc/04/44/58/219044458.db2.gz NLCMOCCISSKSDP-HXUWFJFHSA-N 1 1 336.439 3.955 50 0 EHAAMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2Cn2cccn2)no1 ZINC000097642606 219044459 /nfs/dbraw/zinc/04/44/59/219044459.db2.gz NLCMOCCISSKSDP-HXUWFJFHSA-N 1 1 336.439 3.955 50 0 EHAAMO Cc1cc(Cl)c(OCCC[NH+]2CCOCC2)c(Br)c1 ZINC000020118613 212103351 /nfs/dbraw/zinc/10/33/51/212103351.db2.gz IWVLNVOMVIWXAQ-UHFFFAOYSA-N 1 1 348.668 3.512 50 0 EHAAMO CNc1cc(C[N@H+](C)Cc2cc(Br)cs2)ccn1 ZINC000052726040 214142437 /nfs/dbraw/zinc/14/24/37/214142437.db2.gz AGGCMWFCOCOORD-UHFFFAOYSA-N 1 1 326.263 3.579 50 0 EHAAMO CNc1cc(C[N@@H+](C)Cc2cc(Br)cs2)ccn1 ZINC000052726040 214142439 /nfs/dbraw/zinc/14/24/39/214142439.db2.gz AGGCMWFCOCOORD-UHFFFAOYSA-N 1 1 326.263 3.579 50 0 EHAAMO Oc1ccc(C2=CC[N@@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000053815203 214200620 /nfs/dbraw/zinc/20/06/20/214200620.db2.gz YHNWJCSFGACZRD-UHFFFAOYSA-N 1 1 331.419 3.867 50 0 EHAAMO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055252870 214296051 /nfs/dbraw/zinc/29/60/51/214296051.db2.gz OMCKDZCGWUGEBS-MRXNPFEDSA-N 1 1 335.455 3.985 50 0 EHAAMO Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055252870 214296053 /nfs/dbraw/zinc/29/60/53/214296053.db2.gz OMCKDZCGWUGEBS-MRXNPFEDSA-N 1 1 335.455 3.985 50 0 EHAAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1nc2c(s1)CCCC2 ZINC000055228384 214292474 /nfs/dbraw/zinc/29/24/74/214292474.db2.gz LSHCPHDIYUIOBN-CQSZACIVSA-N 1 1 336.526 3.857 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1nc2c(s1)CCCC2 ZINC000055228384 214292476 /nfs/dbraw/zinc/29/24/76/214292476.db2.gz LSHCPHDIYUIOBN-CQSZACIVSA-N 1 1 336.526 3.857 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cc1O ZINC000055271039 214298811 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Cn1nccc1C[NH2+][C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000122701965 222140679 /nfs/dbraw/zinc/14/06/79/222140679.db2.gz DPCPJJRMOIYIFT-KRWDZBQOSA-N 1 1 346.356 3.713 50 0 EHAAMO CCCOCC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216474507 535234482 /nfs/dbraw/zinc/23/44/82/535234482.db2.gz FIQHFQIEEPQDCD-HXUWFJFHSA-N 1 1 336.495 3.785 50 0 EHAAMO CCCOCCN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216474507 535234484 /nfs/dbraw/zinc/23/44/84/535234484.db2.gz FIQHFQIEEPQDCD-HXUWFJFHSA-N 1 1 336.495 3.785 50 0 EHAAMO CCCOCCN1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216474507 535234492 /nfs/dbraw/zinc/23/44/92/535234492.db2.gz FIQHFQIEEPQDCD-HXUWFJFHSA-N 1 1 336.495 3.785 50 0 EHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3F)c2)C1 ZINC000034675583 563445171 /nfs/dbraw/zinc/44/51/71/563445171.db2.gz UGFBUAILKYPALL-MRXNPFEDSA-N 1 1 342.414 3.663 50 0 EHAAMO CC(=O)c1ccc(N2Cc3ccccc3C3(CCOCC3)C2=[NH2+])cc1 ZINC000004811068 563511599 /nfs/dbraw/zinc/51/15/99/563511599.db2.gz KGKSEEXMUBEGOB-UHFFFAOYSA-N 1 1 334.419 3.935 50 0 EHAAMO Fc1ccc(CC2CC[NH+](Cc3nc(CC4CC4)no3)CC2)cc1 ZINC000012584007 563663846 /nfs/dbraw/zinc/66/38/46/563663846.db2.gz KORFTSXEJLEOHC-UHFFFAOYSA-N 1 1 329.419 3.616 50 0 EHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CCC2)C1 ZINC000014969233 563769005 /nfs/dbraw/zinc/76/90/05/563769005.db2.gz QECVCAQIXFMHAR-HXUWFJFHSA-N 1 1 331.456 3.653 50 0 EHAAMO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)[NH2+]Cc1ccccn1 ZINC000014979490 563769898 /nfs/dbraw/zinc/76/98/98/563769898.db2.gz SREVDHUNZCQGRP-OAHLLOKOSA-N 1 1 339.487 3.800 50 0 EHAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521161 563786109 /nfs/dbraw/zinc/78/61/09/563786109.db2.gz SVCVAKXLYZDQFV-LBPRGKRZSA-N 1 1 346.814 3.528 50 0 EHAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521161 563786111 /nfs/dbraw/zinc/78/61/11/563786111.db2.gz SVCVAKXLYZDQFV-LBPRGKRZSA-N 1 1 346.814 3.528 50 0 EHAAMO Cc1cc(NC(=O)[C@H]([NH2+]Cc2ccc(C)cc2)c2ccccc2)no1 ZINC000023994702 563867875 /nfs/dbraw/zinc/86/78/75/563867875.db2.gz CRNGTKKWSKHSPT-LJQANCHMSA-N 1 1 335.407 3.761 50 0 EHAAMO O=c1c2ccc(F)cc2ncn1CC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000032541119 563913929 /nfs/dbraw/zinc/91/39/29/563913929.db2.gz VKWWACLTUCFTOV-QGZVFWFLSA-N 1 1 343.446 3.723 50 0 EHAAMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)CCc1ccc(O)cc1)CC2 ZINC000023282515 563919422 /nfs/dbraw/zinc/91/94/22/563919422.db2.gz FRJHNKLYKZVVNQ-OAHLLOKOSA-N 1 1 341.451 3.789 50 0 EHAAMO CCOc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)ccc1O ZINC000055292033 563934281 /nfs/dbraw/zinc/93/42/81/563934281.db2.gz REPAHZFLIFRUDC-UHFFFAOYSA-N 1 1 340.467 3.730 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000058356838 563943493 /nfs/dbraw/zinc/94/34/93/563943493.db2.gz AXSFLHRWPMICOK-QFIPXVFZSA-N 1 1 344.458 3.898 50 0 EHAAMO C[N@H+]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000058356838 563943494 /nfs/dbraw/zinc/94/34/94/563943494.db2.gz AXSFLHRWPMICOK-QFIPXVFZSA-N 1 1 344.458 3.898 50 0 EHAAMO O=C1OCCN1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058378489 563944261 /nfs/dbraw/zinc/94/42/61/563944261.db2.gz PELKPFJEFXXJAH-HNNXBMFYSA-N 1 1 345.468 3.666 50 0 EHAAMO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nc2ccc(Cl)cn21 ZINC000063882989 563956471 /nfs/dbraw/zinc/95/64/71/563956471.db2.gz OJKPBSLYXYDEFM-OAHLLOKOSA-N 1 1 347.846 3.662 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nc2ccc(Cl)cn21 ZINC000063882989 563956472 /nfs/dbraw/zinc/95/64/72/563956472.db2.gz OJKPBSLYXYDEFM-OAHLLOKOSA-N 1 1 347.846 3.662 50 0 EHAAMO CCOc1cccc(OCC[N@H+]2CCC[C@H]2c2c(C)noc2C)c1 ZINC000065404615 563960108 /nfs/dbraw/zinc/96/01/08/563960108.db2.gz YVFHJJPMFGMTDQ-SFHVURJKSA-N 1 1 330.428 3.906 50 0 EHAAMO O=C1CCCN1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000065431385 563960791 /nfs/dbraw/zinc/96/07/91/563960791.db2.gz SZTBOURTYKETGN-IBGZPJMESA-N 1 1 349.478 3.583 50 0 EHAAMO CC(C)(C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCOCC1 ZINC000071415751 563964338 /nfs/dbraw/zinc/96/43/38/563964338.db2.gz LHBHCNICVWWQJC-IBGZPJMESA-N 1 1 348.506 3.581 50 0 EHAAMO COc1cc(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)cc(OC)c1 ZINC000071714958 563964838 /nfs/dbraw/zinc/96/48/38/563964838.db2.gz GLGSIZAWTUNHSA-OAQYLSRUSA-N 1 1 346.515 3.646 50 0 EHAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071770910 563965634 /nfs/dbraw/zinc/96/56/34/563965634.db2.gz GSQXENQZEUXIMW-AWEZNQCLSA-N 1 1 331.410 3.787 50 0 EHAAMO COc1ccc([C@@H]([NH2+]Cc2nc(C)c(C)o2)C2CCOCC2)cc1 ZINC000097033695 563966847 /nfs/dbraw/zinc/96/68/47/563966847.db2.gz KBJSTIPHUKXGCM-LJQANCHMSA-N 1 1 330.428 3.558 50 0 EHAAMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)N1CCCC1 ZINC000097033330 563966893 /nfs/dbraw/zinc/96/68/93/563966893.db2.gz UDHCCTILQNGJSV-ZDUSSCGKSA-N 1 1 334.769 3.546 50 0 EHAAMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000097112351 563968048 /nfs/dbraw/zinc/96/80/48/563968048.db2.gz SUCVRTNZVKHMCJ-CXAGYDPISA-N 1 1 326.371 3.865 50 0 EHAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139272 563968159 /nfs/dbraw/zinc/96/81/59/563968159.db2.gz HLJCKTSDNMSANX-CQSZACIVSA-N 1 1 330.501 3.599 50 0 EHAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)n1 ZINC000077470948 563969886 /nfs/dbraw/zinc/96/98/86/563969886.db2.gz DJSRSKPXGYRURV-QGZVFWFLSA-N 1 1 335.455 3.796 50 0 EHAAMO Cc1c[nH]c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)n1 ZINC000077470948 563969887 /nfs/dbraw/zinc/96/98/87/563969887.db2.gz DJSRSKPXGYRURV-QGZVFWFLSA-N 1 1 335.455 3.796 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3Cc4ccccc4[C@H](O)C3)cn2)c1 ZINC000082096767 563972133 /nfs/dbraw/zinc/97/21/33/563972133.db2.gz DRBMVPWGXUATLH-HXUWFJFHSA-N 1 1 331.419 3.501 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@@H+]3Cc4ccccc4[C@H](O)C3)cn2)c1 ZINC000082096767 563972134 /nfs/dbraw/zinc/97/21/34/563972134.db2.gz DRBMVPWGXUATLH-HXUWFJFHSA-N 1 1 331.419 3.501 50 0 EHAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200745 563973280 /nfs/dbraw/zinc/97/32/80/563973280.db2.gz SPITUWXIYADPOV-OAHLLOKOSA-N 1 1 338.411 3.572 50 0 EHAAMO Cc1sc2ncnc(N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)c2c1C ZINC000095512223 563977283 /nfs/dbraw/zinc/97/72/83/563977283.db2.gz OITWZYAMCSQAJL-HZPDHXFCSA-N 1 1 342.512 3.619 50 0 EHAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000096150113 563979661 /nfs/dbraw/zinc/97/96/61/563979661.db2.gz YYLODJVQDUJGIQ-INIZCTEOSA-N 1 1 342.270 3.943 50 0 EHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000248154529 563995370 /nfs/dbraw/zinc/99/53/70/563995370.db2.gz VEZHBPAPBRQEEP-LRDDRELGSA-N 1 1 349.887 3.609 50 0 EHAAMO C[N@H+]1CC[C@@H](NC(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000252477593 563997682 /nfs/dbraw/zinc/99/76/82/563997682.db2.gz RAUVEWYUOSMNAN-TZMCWYRMSA-N 1 1 334.769 3.544 50 0 EHAAMO C[N@@H+]1CC[C@@H](NC(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000252477593 563997681 /nfs/dbraw/zinc/99/76/81/563997681.db2.gz RAUVEWYUOSMNAN-TZMCWYRMSA-N 1 1 334.769 3.544 50 0 EHAAMO C[C@@H]1C[C@H](OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000000448489 564007095 /nfs/dbraw/zinc/00/70/95/564007095.db2.gz QUUUPSHLTILKRI-UXPWSPDFSA-N 1 1 331.500 3.637 50 0 EHAAMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157042475 564010186 /nfs/dbraw/zinc/01/01/86/564010186.db2.gz AMBUDGJKUAXCDO-OCCSQVGLSA-N 1 1 335.835 3.883 50 0 EHAAMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000157042475 564010187 /nfs/dbraw/zinc/01/01/87/564010187.db2.gz AMBUDGJKUAXCDO-OCCSQVGLSA-N 1 1 335.835 3.883 50 0 EHAAMO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(OC(C)(C)C)cc1 ZINC000157430189 564010787 /nfs/dbraw/zinc/01/07/87/564010787.db2.gz VENVJPRRDRZWIP-CQSZACIVSA-N 1 1 328.460 3.643 50 0 EHAAMO C[C@@H]1CCc2c(sc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)C1 ZINC000005695595 564019159 /nfs/dbraw/zinc/01/91/59/564019159.db2.gz CXQXXUANQFBUAC-GFCCVEGCSA-N 1 1 345.512 3.874 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)NCC1CCCC1 ZINC000106561967 564026472 /nfs/dbraw/zinc/02/64/72/564026472.db2.gz QLKLBJAEJJWRQH-PKOBYXMFSA-N 1 1 327.472 3.503 50 0 EHAAMO Cc1nnc([C@@H](C)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000106852007 564026675 /nfs/dbraw/zinc/02/66/75/564026675.db2.gz BEPPSISHVIQAJU-HUUCEWRRSA-N 1 1 328.460 3.603 50 0 EHAAMO COC(=O)c1ccc(OCC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000048299700 564030778 /nfs/dbraw/zinc/03/07/78/564030778.db2.gz AYJDEIVZHQLWCW-KRWDZBQOSA-N 1 1 331.437 3.751 50 0 EHAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCCc2ccccc2)c1C ZINC000048365852 564031489 /nfs/dbraw/zinc/03/14/89/564031489.db2.gz QYBAXUCUHMASKY-INIZCTEOSA-N 1 1 340.467 3.970 50 0 EHAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCCc2ccccc2)c1C ZINC000048365852 564031490 /nfs/dbraw/zinc/03/14/90/564031490.db2.gz QYBAXUCUHMASKY-INIZCTEOSA-N 1 1 340.467 3.970 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2CCCC2)cc1 ZINC000048374047 564031642 /nfs/dbraw/zinc/03/16/42/564031642.db2.gz VDRCLYIEJAAOOR-MRXNPFEDSA-N 1 1 330.472 3.959 50 0 EHAAMO Cc1ccc2nc(C[N@@H+](Cc3ccco3)C3CCCC3)cc(=O)n2c1 ZINC000048374566 564031713 /nfs/dbraw/zinc/03/17/13/564031713.db2.gz GIOXUSOUNQIQEA-UHFFFAOYSA-N 1 1 337.423 3.541 50 0 EHAAMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000117680198 564032746 /nfs/dbraw/zinc/03/27/46/564032746.db2.gz JLPPICQAWSOLCD-ROUUACIJSA-N 1 1 329.827 3.729 50 0 EHAAMO FCCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000225528737 564047550 /nfs/dbraw/zinc/04/75/50/564047550.db2.gz BEGLXDYNXYEKQO-UHFFFAOYSA-N 1 1 330.241 3.790 50 0 EHAAMO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000225660847 564049159 /nfs/dbraw/zinc/04/91/59/564049159.db2.gz KPLPNJNNOVXZCI-QFBILLFUSA-N 1 1 338.432 3.574 50 0 EHAAMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000244734331 564052272 /nfs/dbraw/zinc/05/22/72/564052272.db2.gz NDOIOJCBNNINRA-IBGZPJMESA-N 1 1 339.439 3.637 50 0 EHAAMO Cc1nc(N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000244899819 564052305 /nfs/dbraw/zinc/05/23/05/564052305.db2.gz ZQXLGELLPFJRMH-HQRMLTQVSA-N 1 1 348.450 3.874 50 0 EHAAMO C[N@@H+](CC(=O)NCc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000018935231 564052675 /nfs/dbraw/zinc/05/26/75/564052675.db2.gz WDBJQQFFIDZSKF-IBGZPJMESA-N 1 1 342.870 3.966 50 0 EHAAMO Cc1cccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000012597030 564060288 /nfs/dbraw/zinc/06/02/88/564060288.db2.gz OFYIWYMWJGGIHY-UHFFFAOYSA-N 1 1 333.435 3.972 50 0 EHAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccncc1 ZINC000534593131 564061211 /nfs/dbraw/zinc/06/12/11/564061211.db2.gz KJUAPJAETXXCIQ-SFHVURJKSA-N 1 1 343.858 3.692 50 0 EHAAMO Cc1csc(C2([NH2+]CC(=O)N[C@H](C)c3cccs3)CCCC2)n1 ZINC000083215750 564061998 /nfs/dbraw/zinc/06/19/98/564061998.db2.gz KWRZZUYWPNUFJK-CYBMUJFWSA-N 1 1 349.525 3.749 50 0 EHAAMO C[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000016623181 564065235 /nfs/dbraw/zinc/06/52/35/564065235.db2.gz JRKQNAUGNMMOPG-IBGZPJMESA-N 1 1 342.870 3.636 50 0 EHAAMO Cc1noc(C)c1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084134911 564066886 /nfs/dbraw/zinc/06/68/86/564066886.db2.gz 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ZINC000075260494 564081273 /nfs/dbraw/zinc/08/12/73/564081273.db2.gz PTHIWJYDLMJRBA-GXRSIYKFSA-N 1 1 337.463 3.668 50 0 EHAAMO Cc1c([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000090460797 564084458 /nfs/dbraw/zinc/08/44/58/564084458.db2.gz PLOIGHWWWQREPV-GFCCVEGCSA-N 1 1 339.468 3.760 50 0 EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)NCC1CCCC1 ZINC000241701814 564088408 /nfs/dbraw/zinc/08/84/08/564088408.db2.gz QLKLBJAEJJWRQH-IEBWSBKVSA-N 1 1 327.472 3.503 50 0 EHAAMO CCc1cccc2c(-c3csc(N4CC[NH+](C)CC4)n3)c[nH]c21 ZINC000006671499 564095756 /nfs/dbraw/zinc/09/57/56/564095756.db2.gz FPGZEJHJDQLOHT-UHFFFAOYSA-N 1 1 326.469 3.606 50 0 EHAAMO CCC[N@H+](Cc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036100552 564096106 /nfs/dbraw/zinc/09/61/06/564096106.db2.gz WZDPOTWTVAQYDQ-OAQYLSRUSA-N 1 1 327.468 3.785 50 0 EHAAMO Cc1noc([C@@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000065475806 564106261 /nfs/dbraw/zinc/10/62/61/564106261.db2.gz DZTUJTJYRBQXFP-GFCCVEGCSA-N 1 1 343.406 3.533 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CCCn1c(C)cnc1C[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575545559 1131568705 /nfs/dbraw/zinc/56/87/05/1131568705.db2.gz IFKGPRSHQPJRPZ-GOSISDBHSA-N 1 1 327.472 3.675 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000581816360 1132372460 /nfs/dbraw/zinc/37/24/60/1132372460.db2.gz VKNVTKVVRNWZDV-IBGZPJMESA-N 1 1 339.483 3.940 50 0 EHAAMO FC(F)Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn1 ZINC000585085731 1136982942 /nfs/dbraw/zinc/98/29/42/1136982942.db2.gz GTPDSGPQUHCSCX-AWEZNQCLSA-N 1 1 346.381 3.669 50 0 EHAAMO Cc1n[nH]c(C)c1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000585117055 1137008589 /nfs/dbraw/zinc/00/85/89/1137008589.db2.gz PXUJFRYFMXXCJX-SSDOTTSWSA-N 1 1 332.757 3.945 50 0 EHAAMO CC(=O)c1c[nH]c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053720613 214194990 /nfs/dbraw/zinc/19/49/90/214194990.db2.gz SZPVQUAEDFDXQO-AWEZNQCLSA-N 1 1 339.439 3.844 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@H]3c3cccc(C)c3)cc(=O)n12 ZINC000055910884 214347042 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Cc1ccc2[nH]c(=O)c(C[N@H+](C)[C@H](C)Cc3ncccc3C)cc2c1 ZINC000067909129 215248088 /nfs/dbraw/zinc/24/80/88/215248088.db2.gz OGGFMQLLZWCHIF-MRXNPFEDSA-N 1 1 335.451 3.603 50 0 EHAAMO CCC(CC)[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C1CC1 ZINC000040151464 213273186 /nfs/dbraw/zinc/27/31/86/213273186.db2.gz SOPKYPMDSVZLID-AWEZNQCLSA-N 1 1 348.487 3.534 50 0 EHAAMO CCC[N@H+](Cc1ccccc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099970 213065576 /nfs/dbraw/zinc/06/55/76/213065576.db2.gz IBXAYBRJJXUPCL-LJQANCHMSA-N 1 1 343.467 3.656 50 0 EHAAMO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000036007035 213055602 /nfs/dbraw/zinc/05/56/02/213055602.db2.gz IKQRFVBTNKDALN-UHFFFAOYSA-N 1 1 334.419 3.726 50 0 EHAAMO COc1ccc2[nH]c(C)c(C(=O)C[N@H+]3CCc4ccccc4C3)c2c1 ZINC000036007035 213055605 /nfs/dbraw/zinc/05/56/05/213055605.db2.gz IKQRFVBTNKDALN-UHFFFAOYSA-N 1 1 334.419 3.726 50 0 EHAAMO Cc1ccc(N2CCC(NC(=O)c3csc(Cl)c3)CC2)[nH+]c1 ZINC000187951784 236354928 /nfs/dbraw/zinc/35/49/28/236354928.db2.gz OMPILPDLDLYAGR-UHFFFAOYSA-N 1 1 335.860 3.504 50 0 EHAAMO CC1(C)C[C@@H](C[N@H+]2CCCN(Cc3ccccc3F)CC2)CCO1 ZINC000072127345 216018028 /nfs/dbraw/zinc/01/80/28/216018028.db2.gz AYCRXVAKLJHQQE-KRWDZBQOSA-N 1 1 334.479 3.539 50 0 EHAAMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc3ncccc23)cs1 ZINC000072133553 216022514 /nfs/dbraw/zinc/02/25/14/216022514.db2.gz QTCFKIMMQUTXDQ-UHFFFAOYSA-N 1 1 326.421 3.715 50 0 EHAAMO COc1c[nH]c(C[N@H+]2CCCC[C@H]2CCc2ccccc2)cc1=O ZINC000072145879 216032384 /nfs/dbraw/zinc/03/23/84/216032384.db2.gz TXMVBEYTZPCSKO-SFHVURJKSA-N 1 1 326.440 3.783 50 0 EHAAMO COc1ccc(C[N@H+](C)Cc2cc(-c3ccncc3)no2)cc1F ZINC000072152489 216040482 /nfs/dbraw/zinc/04/04/82/216040482.db2.gz JZHFWLUWTXMXSO-UHFFFAOYSA-N 1 1 327.359 3.516 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2cc(-c3ccncc3)no2)cc1F ZINC000072152489 216040485 /nfs/dbraw/zinc/04/04/85/216040485.db2.gz JZHFWLUWTXMXSO-UHFFFAOYSA-N 1 1 327.359 3.516 50 0 EHAAMO CCn1ncc(C[N@H+]2CCC[C@H](COc3ccc(OC)cc3)C2)c1C ZINC000072169738 216060722 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HBQDVAKDTBQMCS-HNNXBMFYSA-N 1 1 328.441 3.876 50 0 EHAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cccn1-c1nccs1 ZINC000065422071 563960603 /nfs/dbraw/zinc/96/06/03/563960603.db2.gz HBQDVAKDTBQMCS-HNNXBMFYSA-N 1 1 328.441 3.876 50 0 EHAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]1O ZINC000065428060 563960646 /nfs/dbraw/zinc/96/06/46/563960646.db2.gz ITRDOPDIDDBYDP-SJLPKXTDSA-N 1 1 347.528 3.801 50 0 EHAAMO CCc1cc(N2CCc3onc(-c4cccc(F)c4)c3C2)nc(C)[nH+]1 ZINC000067473043 563962286 /nfs/dbraw/zinc/96/22/86/563962286.db2.gz DRTGBJGFGPHSGU-UHFFFAOYSA-N 1 1 338.386 3.704 50 0 EHAAMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000097017791 563966753 /nfs/dbraw/zinc/96/67/53/563966753.db2.gz JCHHEZNDTZITKY-QGZVFWFLSA-N 1 1 340.471 3.625 50 0 EHAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(F)cc1Cl ZINC000077340564 563969025 /nfs/dbraw/zinc/96/90/25/563969025.db2.gz UGXPROKMHZFEDC-MRXNPFEDSA-N 1 1 346.833 3.608 50 0 EHAAMO Cc1cccnc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077439954 563969726 /nfs/dbraw/zinc/96/97/26/563969726.db2.gz KKSZUGYKLQGPNW-NRFANRHFSA-N 1 1 343.515 3.641 50 0 EHAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000077564670 563970405 /nfs/dbraw/zinc/97/04/05/563970405.db2.gz RKKISUCEICCNHE-QGZVFWFLSA-N 1 1 335.455 3.742 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000082083194 563971974 /nfs/dbraw/zinc/97/19/74/563971974.db2.gz JRANAWLOKNQQDU-GOSISDBHSA-N 1 1 329.419 3.865 50 0 EHAAMO O=C(NCCn1cc[nH+]c1C1CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000225567579 563974611 /nfs/dbraw/zinc/97/46/11/563974611.db2.gz JZMJYCGNDPKDJW-UHFFFAOYSA-N 1 1 339.226 3.889 50 0 EHAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000091327186 563975312 /nfs/dbraw/zinc/97/53/12/563975312.db2.gz MPGPSMMVNVDAAS-NRFANRHFSA-N 1 1 347.499 3.619 50 0 EHAAMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000075718708 564000582 /nfs/dbraw/zinc/00/05/82/564000582.db2.gz JETGEUYMKCWKOZ-UHFFFAOYSA-N 1 1 339.867 3.566 50 0 EHAAMO CC[NH+](CC)CCNc1nc(-c2ccccc2O)nc2ccccc21 ZINC000000531575 564021626 /nfs/dbraw/zinc/02/16/26/564021626.db2.gz AYCDFEQEJDZWCW-UHFFFAOYSA-N 1 1 336.439 3.756 50 0 EHAAMO C[C@@H]1C[C@H](Nc2cccc(C[S@@](C)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000108366538 564028220 /nfs/dbraw/zinc/02/82/20/564028220.db2.gz FEOVLFAYSJYCTK-NKNQFRNOSA-N 1 1 342.508 3.640 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)N1CCc2ccccc21 ZINC000048236506 564030163 /nfs/dbraw/zinc/03/01/63/564030163.db2.gz BKONWJFEFYRXOJ-QGZVFWFLSA-N 1 1 326.465 3.864 50 0 EHAAMO c1ccc(CC[C@H]2CCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000048275610 564030591 /nfs/dbraw/zinc/03/05/91/564030591.db2.gz UKASLMFSAKREQB-QGZVFWFLSA-N 1 1 334.423 3.729 50 0 EHAAMO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCC(C)(C)C2)n1 ZINC000048284573 564030689 /nfs/dbraw/zinc/03/06/89/564030689.db2.gz FQUNOBFTSCCUQT-UHFFFAOYSA-N 1 1 325.456 3.621 50 0 EHAAMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Br)ccc1F ZINC000095968464 564034128 /nfs/dbraw/zinc/03/41/28/564034128.db2.gz XLFNXNYWHDAMBU-VHSXEESVSA-N 1 1 326.213 3.734 50 0 EHAAMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000184628908 564064614 /nfs/dbraw/zinc/06/46/14/564064614.db2.gz QCNAYWGTQWLYAL-KBPBESRZSA-N 1 1 328.485 3.753 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4sccc43)CC2)cc1 ZINC000012759145 564067300 /nfs/dbraw/zinc/06/73/00/564067300.db2.gz ZTHJXFZLPRPZKU-UHFFFAOYSA-N 1 1 338.480 3.712 50 0 EHAAMO Cc1nnc(C[N@H+](Cc2ccc(F)c3cccnc23)C(C)(C)C)o1 ZINC000084291474 564067677 /nfs/dbraw/zinc/06/76/77/564067677.db2.gz CZJOINHSQNWJOH-UHFFFAOYSA-N 1 1 328.391 3.866 50 0 EHAAMO Cc1nnc(C[N@@H+](Cc2ccc(F)c3cccnc23)C(C)(C)C)o1 ZINC000084291474 564067678 /nfs/dbraw/zinc/06/76/78/564067678.db2.gz CZJOINHSQNWJOH-UHFFFAOYSA-N 1 1 328.391 3.866 50 0 EHAAMO CC(C)CCSCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000084510788 564068315 /nfs/dbraw/zinc/06/83/15/564068315.db2.gz ZSYLACCRRXEKQB-KRWDZBQOSA-N 1 1 332.513 3.777 50 0 EHAAMO COc1ccc(C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C2CC2)cc1 ZINC000012774390 564069175 /nfs/dbraw/zinc/06/91/75/564069175.db2.gz CMDRWZPZOOCFEF-UHFFFAOYSA-N 1 1 346.377 3.577 50 0 EHAAMO COc1ccc(C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)C2CC2)cc1 ZINC000012774390 564069176 /nfs/dbraw/zinc/06/91/76/564069176.db2.gz CMDRWZPZOOCFEF-UHFFFAOYSA-N 1 1 346.377 3.577 50 0 EHAAMO C[C@H]([NH2+]Cc1ccco1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152051046 564079544 /nfs/dbraw/zinc/07/95/44/564079544.db2.gz HPCIQDNBXMRKOY-AWEZNQCLSA-N 1 1 333.453 3.847 50 0 EHAAMO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000013010841 564086516 /nfs/dbraw/zinc/08/65/16/564086516.db2.gz PERXGYYDOOGZFY-SFHVURJKSA-N 1 1 328.387 3.610 50 0 EHAAMO COc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000013010841 564086517 /nfs/dbraw/zinc/08/65/17/564086517.db2.gz PERXGYYDOOGZFY-SFHVURJKSA-N 1 1 328.387 3.610 50 0 EHAAMO CCn1ccc2cc(CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000075550665 564089338 /nfs/dbraw/zinc/08/93/38/564089338.db2.gz QVWONPIWPFWABY-KRWDZBQOSA-N 1 1 341.499 3.584 50 0 EHAAMO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCc3ccccc3NC2=O)o1 ZINC000192191734 564090048 /nfs/dbraw/zinc/09/00/48/564090048.db2.gz INIZJUMRPLFTJS-ZWKOTPCHSA-N 1 1 340.423 3.516 50 0 EHAAMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCc3ccccc3NC2=O)o1 ZINC000192191734 564090049 /nfs/dbraw/zinc/09/00/49/564090049.db2.gz INIZJUMRPLFTJS-ZWKOTPCHSA-N 1 1 340.423 3.516 50 0 EHAAMO O=C(CC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000003087481 564090666 /nfs/dbraw/zinc/09/06/66/564090666.db2.gz GZIISXIDAZYOLI-SFHVURJKSA-N 1 1 337.419 3.520 50 0 biogenic,in-man EHAAMO CC[N@H+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006558775 564092095 /nfs/dbraw/zinc/09/20/95/564092095.db2.gz QUKJBQZWIOODPK-MRXNPFEDSA-N 1 1 333.439 3.588 50 0 EHAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccsc3)cc1)C2 ZINC000426730661 564094461 /nfs/dbraw/zinc/09/44/61/564094461.db2.gz ZWJPGFKVCWMMLT-ZWKOTPCHSA-N 1 1 326.465 3.724 50 0 EHAAMO CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCCC1 ZINC000065441009 564105992 /nfs/dbraw/zinc/10/59/92/564105992.db2.gz FBQFBEQREGOHGG-UHFFFAOYSA-N 1 1 340.221 3.857 50 0 EHAAMO CCOCCC[N@H+]1Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2C1 ZINC000065490529 564106407 /nfs/dbraw/zinc/10/64/07/564106407.db2.gz NEMPZZSUXCBSPG-MRXNPFEDSA-N 1 1 328.456 3.724 50 0 EHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000007420935 564108346 /nfs/dbraw/zinc/10/83/46/564108346.db2.gz BWQFYNXEWIOXLP-LLVKDONJSA-N 1 1 338.860 3.869 50 0 EHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000007420935 564108347 /nfs/dbraw/zinc/10/83/47/564108347.db2.gz BWQFYNXEWIOXLP-LLVKDONJSA-N 1 1 338.860 3.869 50 0 EHAAMO Cc1nccn1CCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000089735650 564113419 /nfs/dbraw/zinc/11/34/19/564113419.db2.gz DVATVCSGWBFSRR-UHFFFAOYSA-N 1 1 340.240 3.615 50 0 EHAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003983 564116121 /nfs/dbraw/zinc/11/61/21/564116121.db2.gz OUIDXYPYQKJPPH-CQSZACIVSA-N 1 1 342.468 3.591 50 0 EHAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C[C@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000252477188 564119023 /nfs/dbraw/zinc/11/90/23/564119023.db2.gz JUNVXFXTRZOKNV-TZIWHRDSSA-N 1 1 346.515 3.779 50 0 EHAAMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H]2CCCC[C@H]12 ZINC000252517278 564120274 /nfs/dbraw/zinc/12/02/74/564120274.db2.gz DOCLKQMVODZZPI-KBRIMQKVSA-N 1 1 330.501 3.944 50 0 EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501610 564132841 /nfs/dbraw/zinc/13/28/41/564132841.db2.gz NDAWUPLIPPNPGL-ZIINTYDKSA-N 1 1 348.575 3.649 50 0 EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501610 564132842 /nfs/dbraw/zinc/13/28/42/564132842.db2.gz NDAWUPLIPPNPGL-ZIINTYDKSA-N 1 1 348.575 3.649 50 0 EHAAMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(N3CCCC3)nc1)CCC2 ZINC000093364979 564137466 /nfs/dbraw/zinc/13/74/66/564137466.db2.gz IWODQSMDEXDNJX-KRWDZBQOSA-N 1 1 342.512 3.956 50 0 EHAAMO C[C@H](c1ccccc1F)[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000095962952 564142837 /nfs/dbraw/zinc/14/28/37/564142837.db2.gz MMJCIEBZWQHCDU-OAHLLOKOSA-N 1 1 336.414 3.652 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cnc(C)nc1C)O[C@@H](C)C2 ZINC000096476431 564148416 /nfs/dbraw/zinc/14/84/16/564148416.db2.gz RIKAGEOMYRGBAV-STQMWFEESA-N 1 1 341.455 3.666 50 0 EHAAMO CCCCOc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000097013576 564149078 /nfs/dbraw/zinc/14/90/78/564149078.db2.gz AKPREPBZSNPGQN-CVEARBPZSA-N 1 1 345.487 3.921 50 0 EHAAMO O=c1[nH]c2ccccc2nc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000097201067 564149564 /nfs/dbraw/zinc/14/95/64/564149564.db2.gz BRJXIGQXAXIJOG-FQEVSTJZSA-N 1 1 331.419 3.575 50 0 EHAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)CCOc3ccccc3)c2cc1C ZINC000057449826 564154347 /nfs/dbraw/zinc/15/43/47/564154347.db2.gz LQVLXRDNWDFUKD-UHFFFAOYSA-N 1 1 337.419 3.921 50 0 EHAAMO C[C@H](c1ccc(NC(=O)c2ccccc2Cl)cc1)[NH+]1CCOCC1 ZINC000069463710 564169745 /nfs/dbraw/zinc/16/97/45/564169745.db2.gz WVSWRHICADGSSQ-CQSZACIVSA-N 1 1 344.842 3.986 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000069520706 564170162 /nfs/dbraw/zinc/17/01/62/564170162.db2.gz FLHXTEDLUOVFPD-UHFFFAOYSA-N 1 1 327.334 3.770 50 0 EHAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000069925628 564172855 /nfs/dbraw/zinc/17/28/55/564172855.db2.gz JQOIUKCELWCQCE-NSHDSACASA-N 1 1 339.773 3.600 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000070005067 564173225 /nfs/dbraw/zinc/17/32/25/564173225.db2.gz PQULVTUUGPQOAT-KRWDZBQOSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)OC2CCCC2)cc1F ZINC000070802830 564174408 /nfs/dbraw/zinc/17/44/08/564174408.db2.gz HIXLZPFCJHPZHN-LBPRGKRZSA-N 1 1 331.391 3.606 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000071875878 564176217 /nfs/dbraw/zinc/17/62/17/564176217.db2.gz BWZOJNDYOHEYDE-SFHVURJKSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000071875878 564176218 /nfs/dbraw/zinc/17/62/18/564176218.db2.gz BWZOJNDYOHEYDE-SFHVURJKSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000071876698 564176288 /nfs/dbraw/zinc/17/62/88/564176288.db2.gz BHYFQUPNWJTURC-SFHVURJKSA-N 1 1 335.455 3.626 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000071876698 564176289 /nfs/dbraw/zinc/17/62/89/564176289.db2.gz BHYFQUPNWJTURC-SFHVURJKSA-N 1 1 335.455 3.626 50 0 EHAAMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(C)cc2)o1 ZINC000284710197 1018192403 /nfs/dbraw/zinc/19/24/03/1018192403.db2.gz JBFRQUTVJYPJIB-KRWDZBQOSA-N 1 1 341.455 3.531 50 0 EHAAMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000344266966 1030967850 /nfs/dbraw/zinc/96/78/50/1030967850.db2.gz LWNKMRVITKZRBE-HXUWFJFHSA-N 1 1 326.440 3.858 50 0 EHAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2ccccc2)s1 ZINC000172233706 1034866774 /nfs/dbraw/zinc/86/67/74/1034866774.db2.gz VLQYDSOZMLKGRY-OAHLLOKOSA-N 1 1 328.481 3.829 50 0 EHAAMO Cc1nc(CC[C@@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)no1 ZINC000675024741 1039941631 /nfs/dbraw/zinc/94/16/31/1039941631.db2.gz PJYFBILIHLJWJZ-QGZVFWFLSA-N 1 1 329.444 3.620 50 0 EHAAMO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(C2CC2)on1 ZINC000252496029 1041322135 /nfs/dbraw/zinc/32/21/35/1041322135.db2.gz PEIKLYDDEYIMBI-UHFFFAOYSA-N 1 1 339.439 3.501 50 0 EHAAMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(C2CC2)on1 ZINC000252496029 1041322139 /nfs/dbraw/zinc/32/21/39/1041322139.db2.gz PEIKLYDDEYIMBI-UHFFFAOYSA-N 1 1 339.439 3.501 50 0 EHAAMO CCN(C(=O)Nc1cc(C)on1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107151085 1041826608 /nfs/dbraw/zinc/82/66/08/1041826608.db2.gz SEIJBWYOPXOABA-WBVHZDCISA-N 1 1 342.443 3.672 50 0 EHAAMO FC(F)Oc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186450251 1128643656 /nfs/dbraw/zinc/64/36/56/1128643656.db2.gz FQXCYGJANJOTMH-LJQANCHMSA-N 1 1 331.362 3.919 50 0 EHAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](C1CCCC1)C2 ZINC000012750449 1129458213 /nfs/dbraw/zinc/45/82/13/1129458213.db2.gz BKGWYJLCZKKDNU-HXUWFJFHSA-N 1 1 330.447 3.583 50 0 EHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)NC1CC1 ZINC000012457653 1129945894 /nfs/dbraw/zinc/94/58/94/1129945894.db2.gz FHDFORHRDPJFHC-INIZCTEOSA-N 1 1 337.467 3.506 50 0 EHAAMO Cc1cc(C)n(C[C@H](C)[NH2+]CCCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000821508502 1130938061 /nfs/dbraw/zinc/93/80/61/1130938061.db2.gz XRIKZCFRNWXAQL-ZDUSSCGKSA-N 1 1 345.878 3.641 50 0 EHAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000823778622 1131081102 /nfs/dbraw/zinc/08/11/02/1131081102.db2.gz HJLYFFDSCJCXJX-NRFANRHFSA-N 1 1 336.479 3.809 50 0 EHAAMO Cc1cnc(C[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545387 1131568603 /nfs/dbraw/zinc/56/86/03/1131568603.db2.gz LKVKOKHHFWVEME-GOSISDBHSA-N 1 1 327.447 3.805 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)CCC3CCCC3)C2)n1CC1CC1 ZINC000581805539 1132367180 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Cc1n[nH]c(C)c1CNC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000952989306 1137485903 /nfs/dbraw/zinc/48/59/03/1137485903.db2.gz UPYJTIPEFOVYRF-FQEVSTJZSA-N 1 1 326.488 3.733 50 0 EHAAMO O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC000097694968 219048532 /nfs/dbraw/zinc/04/85/32/219048532.db2.gz PMUXWENOKYXGMX-OAHLLOKOSA-N 1 1 332.831 3.575 50 0 EHAAMO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055072522 214269676 /nfs/dbraw/zinc/26/96/76/214269676.db2.gz SGOJFBPXUXDSHF-INIZCTEOSA-N 1 1 333.476 3.621 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055072522 214269678 /nfs/dbraw/zinc/26/96/78/214269678.db2.gz SGOJFBPXUXDSHF-INIZCTEOSA-N 1 1 333.476 3.621 50 0 EHAAMO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc(OC)c(COC)c2)c1C ZINC000055227054 214292112 /nfs/dbraw/zinc/29/21/12/214292112.db2.gz NRYDZOVSQMZBSK-UHFFFAOYSA-N 1 1 345.487 3.697 50 0 EHAAMO CCCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2C)cc1 ZINC000055242912 214294212 /nfs/dbraw/zinc/29/42/12/214294212.db2.gz 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215157024 /nfs/dbraw/zinc/15/70/24/215157024.db2.gz ZYXNZANMYVHLRT-NRFANRHFSA-N 1 1 328.500 3.774 50 0 EHAAMO Cc1ccc2cc(C[N@@H+](Cc3ccc(O)cc3)C3CC3)c(=O)[nH]c2c1 ZINC000067490730 215154367 /nfs/dbraw/zinc/15/43/67/215154367.db2.gz DGNFCXYNIWZZKD-UHFFFAOYSA-N 1 1 334.419 3.707 50 0 EHAAMO CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1=CCC[N@@H+](C)C1 ZINC000067675979 215181255 /nfs/dbraw/zinc/18/12/55/215181255.db2.gz ZGMKCXQZMNUIBR-OAHLLOKOSA-N 1 1 327.255 3.764 50 0 EHAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000067962414 215261230 /nfs/dbraw/zinc/26/12/30/215261230.db2.gz FXZDCDJMMXMMST-JOCHJYFZSA-N 1 1 348.446 3.796 50 0 EHAAMO Cc1ccsc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000069390646 215398440 /nfs/dbraw/zinc/39/84/40/215398440.db2.gz KPAKCOOJKIFLBD-CQSZACIVSA-N 1 1 330.453 3.702 50 0 EHAAMO CCN(CC)C(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000040039215 213254566 /nfs/dbraw/zinc/25/45/66/213254566.db2.gz IWIHGFYYBZVDBR-HXUWFJFHSA-N 1 1 328.431 3.715 50 0 EHAAMO CCN(CC)C(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000040039215 213254569 /nfs/dbraw/zinc/25/45/69/213254569.db2.gz IWIHGFYYBZVDBR-HXUWFJFHSA-N 1 1 328.431 3.715 50 0 EHAAMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C ZINC000036095249 213063078 /nfs/dbraw/zinc/06/30/78/213063078.db2.gz BKIWWRLZMWIRBQ-LJQANCHMSA-N 1 1 343.467 3.656 50 0 EHAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cncn1C1CCCCC1 ZINC000072151060 216039866 /nfs/dbraw/zinc/03/98/66/216039866.db2.gz OTKAOINAZXBSSL-KRWDZBQOSA-N 1 1 333.476 3.696 50 0 EHAAMO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000072165205 216053767 /nfs/dbraw/zinc/05/37/67/216053767.db2.gz WCHFCMUGFGXMEF-UHFFFAOYSA-N 1 1 339.483 3.830 50 0 EHAAMO CCCCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000072282569 216112164 /nfs/dbraw/zinc/11/21/64/216112164.db2.gz UDPZLTOKYVICSS-KRWDZBQOSA-N 1 1 331.504 3.908 50 0 EHAAMO CCCOc1ccccc1NC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000072309817 216145683 /nfs/dbraw/zinc/14/56/83/216145683.db2.gz JZQDSGTVWVNQRQ-MRXNPFEDSA-N 1 1 333.476 3.671 50 0 EHAAMO Cc1ccc(C)c(-n2cc(C[N@@H+](C)CCCO)c(-c3ccccc3)n2)c1 ZINC000072409817 216200824 /nfs/dbraw/zinc/20/08/24/216200824.db2.gz RCOWGXWNODMNFB-UHFFFAOYSA-N 1 1 349.478 3.970 50 0 EHAAMO CNc1nc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cs1 ZINC000072411656 216203430 /nfs/dbraw/zinc/20/34/30/216203430.db2.gz VGXCAIXGMAUZNF-MRXNPFEDSA-N 1 1 331.485 3.878 50 0 EHAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)nc2)c1 ZINC000072411508 216204334 /nfs/dbraw/zinc/20/43/34/216204334.db2.gz LVGICTSAWYVHET-IBGZPJMESA-N 1 1 325.456 3.883 50 0 EHAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)o2)n[nH]1 ZINC000072429362 216219975 /nfs/dbraw/zinc/21/99/75/216219975.db2.gz FIAOLLANKKFYOF-AWEZNQCLSA-N 1 1 347.422 3.926 50 0 EHAAMO COCc1ncc(C[NH+]2CCC(Sc3ccccc3C)CC2)cn1 ZINC000072440203 216233584 /nfs/dbraw/zinc/23/35/84/216233584.db2.gz JVBVDVDBXFOPHU-UHFFFAOYSA-N 1 1 343.496 3.688 50 0 EHAAMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000073192385 216361203 /nfs/dbraw/zinc/36/12/03/216361203.db2.gz ZSAVLLQPHOJSBE-UHFFFAOYSA-N 1 1 347.503 3.737 50 0 EHAAMO OCC[C@H]1CN(Cc2ccc3ccccc3c2)CC[N@H+]1C1CCCC1 ZINC000023359205 212370866 /nfs/dbraw/zinc/37/08/66/212370866.db2.gz IEAFLVFADOKGFP-QFIPXVFZSA-N 1 1 338.495 3.651 50 0 EHAAMO OCC[C@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC000215189834 241112441 /nfs/dbraw/zinc/11/24/41/241112441.db2.gz HKXUGZSBSURHFI-HNNXBMFYSA-N 1 1 327.449 3.638 50 0 EHAAMO COc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000215834500 241150550 /nfs/dbraw/zinc/15/05/50/241150550.db2.gz JEOFQJIQXBGPAO-QGZVFWFLSA-N 1 1 346.858 3.925 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000215834500 241150557 /nfs/dbraw/zinc/15/05/57/241150557.db2.gz JEOFQJIQXBGPAO-QGZVFWFLSA-N 1 1 346.858 3.925 50 0 EHAAMO CCNc1ncc(C[N@H+]2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000216077633 241164621 /nfs/dbraw/zinc/16/46/21/241164621.db2.gz KOWUZGDYMUVLHB-INIZCTEOSA-N 1 1 330.863 3.941 50 0 EHAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)COCc1cccs1 ZINC000229654005 242186741 /nfs/dbraw/zinc/18/67/41/242186741.db2.gz XXHWVLCNDKJLFQ-QFBILLFUSA-N 1 1 345.508 3.926 50 0 EHAAMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000229853838 242209539 /nfs/dbraw/zinc/20/95/39/242209539.db2.gz FTLZEAPBZLREGZ-RDJZCZTQSA-N 1 1 342.439 3.874 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1C ZINC000253535003 244007874 /nfs/dbraw/zinc/00/78/74/244007874.db2.gz CKESOXJUHXOFCW-XLIONFOSSA-N 1 1 339.483 3.779 50 0 EHAAMO Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020109556 212101908 /nfs/dbraw/zinc/10/19/08/212101908.db2.gz BDEDLEVNOSTMSF-OAQYLSRUSA-N 1 1 347.462 3.723 50 0 EHAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019732458 212058217 /nfs/dbraw/zinc/05/82/17/212058217.db2.gz XQEGOSKIIOZULV-KGLIPLIRSA-N 1 1 349.261 3.774 50 0 EHAAMO OCc1ccc(C[N@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000011873125 211260756 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ZINC000252486466 564053413 /nfs/dbraw/zinc/05/34/13/564053413.db2.gz HLMAKRLZPDLFDT-GOSISDBHSA-N 1 1 329.513 3.590 50 0 EHAAMO Cc1ncsc1CC[N@@H+](C)C[C@H]1CCCN1Cc1ccccc1 ZINC000252486466 564053414 /nfs/dbraw/zinc/05/34/14/564053414.db2.gz HLMAKRLZPDLFDT-GOSISDBHSA-N 1 1 329.513 3.590 50 0 EHAAMO Cc1ncsc1CC[N@H+](C)C[C@H]1CCCN1Cc1ccccc1 ZINC000252486466 564053415 /nfs/dbraw/zinc/05/34/15/564053415.db2.gz HLMAKRLZPDLFDT-GOSISDBHSA-N 1 1 329.513 3.590 50 0 EHAAMO Cc1nc(C)c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182845818 564056387 /nfs/dbraw/zinc/05/63/87/564056387.db2.gz AZLPBRGSSQTWQE-LBPRGKRZSA-N 1 1 344.406 3.812 50 0 EHAAMO O=C(/C=C/c1ccccc1)N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472691 564073479 /nfs/dbraw/zinc/07/34/79/564073479.db2.gz KLYMXSGFHKTCHL-FZNBYNMYSA-N 1 1 346.474 3.618 50 0 EHAAMO O=C(/C=C/c1ccccc1)N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472691 564073480 /nfs/dbraw/zinc/07/34/80/564073480.db2.gz KLYMXSGFHKTCHL-FZNBYNMYSA-N 1 1 346.474 3.618 50 0 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INIZJUMRPLFTJS-QZTJIDSGSA-N 1 1 340.423 3.516 50 0 EHAAMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000089420469 564090511 /nfs/dbraw/zinc/09/05/11/564090511.db2.gz PLRPQKFQDJHHRG-QGZVFWFLSA-N 1 1 348.450 3.551 50 0 EHAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC000006605409 564093079 /nfs/dbraw/zinc/09/30/79/564093079.db2.gz TZCTZRCNJIEPCK-ZIAGYGMSSA-N 1 1 336.863 3.799 50 0 EHAAMO Cc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CC[N@H+](C)C4)C3)cc2)cn1 ZINC000426439075 564093743 /nfs/dbraw/zinc/09/37/43/564093743.db2.gz WNOFGGWAFKLQNR-JOCHJYFZSA-N 1 1 349.478 3.615 50 0 EHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(F)cc3Cl)[C@H]2C1 ZINC000426486145 564093878 /nfs/dbraw/zinc/09/38/78/564093878.db2.gz ZKWTZDJWVUAUPC-BHYGNILZSA-N 1 1 327.827 3.638 50 0 EHAAMO O=C(NCc1cccc(Cl)c1)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000064817947 564096453 /nfs/dbraw/zinc/09/64/53/564096453.db2.gz DNSIMPIFSQESRW-UHFFFAOYSA-N 1 1 340.854 3.789 50 0 EHAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCc1ccccc1 ZINC000007002985 564103027 /nfs/dbraw/zinc/10/30/27/564103027.db2.gz AVDSVUFDKHTGSU-KRWDZBQOSA-N 1 1 337.467 3.794 50 0 EHAAMO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000007420063 564108223 /nfs/dbraw/zinc/10/82/23/564108223.db2.gz OYBFXMNVOHEIAJ-HNNXBMFYSA-N 1 1 326.440 3.717 50 0 EHAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000007420063 564108224 /nfs/dbraw/zinc/10/82/24/564108224.db2.gz OYBFXMNVOHEIAJ-HNNXBMFYSA-N 1 1 326.440 3.717 50 0 EHAAMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610755 564109751 /nfs/dbraw/zinc/10/97/51/564109751.db2.gz JHRHFWSLCYRKPS-LAUBAEHRSA-N 1 1 347.462 3.885 50 0 EHAAMO O=C(CCCC[NH+]1CCOCC1)OCc1ccc(Cl)cc1Cl ZINC000170619476 564110183 /nfs/dbraw/zinc/11/01/83/564110183.db2.gz SBSCQKXCSJSIIQ-UHFFFAOYSA-N 1 1 346.254 3.539 50 0 EHAAMO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)c4nc(C)no4)CC3)c2c1 ZINC000071824857 564111319 /nfs/dbraw/zinc/11/13/19/564111319.db2.gz MQOLZLXDEYRCFD-LBPRGKRZSA-N 1 1 340.427 3.809 50 0 EHAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000089735757 564113484 /nfs/dbraw/zinc/11/34/84/564113484.db2.gz KVMDFBLZAQWFBT-RTWAWAEBSA-N 1 1 345.446 3.660 50 0 EHAAMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccc1F ZINC000089814269 564114009 /nfs/dbraw/zinc/11/40/09/564114009.db2.gz BWUSZXPCRQBHFR-INIZCTEOSA-N 1 1 333.451 3.992 50 0 EHAAMO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nnnn1-c1cc(C)ccc1F ZINC000089941992 564115548 /nfs/dbraw/zinc/11/55/48/564115548.db2.gz XCZRKNMDHKFPKW-MRXNPFEDSA-N 1 1 331.439 3.510 50 0 EHAAMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1nnnn1-c1cc(C)ccc1F ZINC000089941992 564115549 /nfs/dbraw/zinc/11/55/49/564115549.db2.gz XCZRKNMDHKFPKW-MRXNPFEDSA-N 1 1 331.439 3.510 50 0 EHAAMO CC(C)c1nc([C@@H](C)NC2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000090049818 564116193 /nfs/dbraw/zinc/11/61/93/564116193.db2.gz UCZWKZDSMDGOTA-OAHLLOKOSA-N 1 1 344.528 3.977 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452607 564118568 /nfs/dbraw/zinc/11/85/68/564118568.db2.gz QWZVPRKFQCPYDC-WFASDCNBSA-N 1 1 344.436 3.641 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452607 564118569 /nfs/dbraw/zinc/11/85/69/564118569.db2.gz QWZVPRKFQCPYDC-WFASDCNBSA-N 1 1 344.436 3.641 50 0 EHAAMO O[C@H](C[NH2+][C@@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049640 564122700 /nfs/dbraw/zinc/12/27/00/564122700.db2.gz SYBFBLHORBUWHD-RNCFNFMXSA-N 1 1 339.873 3.599 50 0 EHAAMO c1csc([C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 ZINC000195102945 564122765 /nfs/dbraw/zinc/12/27/65/564122765.db2.gz CQTGKKOIOLLYBR-ZBFHGGJFSA-N 1 1 347.484 3.616 50 0 EHAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)N(C)CC[C@H]3CCCCO3)c2)[nH+]1 ZINC000584901049 564131739 /nfs/dbraw/zinc/13/17/39/564131739.db2.gz ANWHNCWEKZGVBD-GOSISDBHSA-N 1 1 341.455 3.725 50 0 EHAAMO C[N@@H+](CCN)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501609 564132851 /nfs/dbraw/zinc/13/28/51/564132851.db2.gz NDAWUPLIPPNPGL-SVMKMBGISA-N 1 1 348.575 3.649 50 0 EHAAMO CN(CC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501609 564132852 /nfs/dbraw/zinc/13/28/52/564132852.db2.gz NDAWUPLIPPNPGL-SVMKMBGISA-N 1 1 348.575 3.649 50 0 EHAAMO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281166425 564142351 /nfs/dbraw/zinc/14/23/51/564142351.db2.gz BJWRMCWOJJJGLC-NSHDSACASA-N 1 1 348.878 3.874 50 0 EHAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000095957615 564142593 /nfs/dbraw/zinc/14/25/93/564142593.db2.gz DIEYIFJMOCJHHI-INIZCTEOSA-N 1 1 345.487 3.911 50 0 EHAAMO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC12CC3CC(CC(C3)C1)C2 ZINC000057281404 564153506 /nfs/dbraw/zinc/15/35/06/564153506.db2.gz VYXGUQZJBRZDOZ-UHFFFAOYSA-N 1 1 337.467 3.571 50 0 EHAAMO Cc1cnc(-c2cccc(NC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)c2)o1 ZINC000066974219 564164896 /nfs/dbraw/zinc/16/48/96/564164896.db2.gz JWMKGPGQDSGQBZ-HNNXBMFYSA-N 1 1 342.443 3.502 50 0 EHAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000245224640 564168713 /nfs/dbraw/zinc/16/87/13/564168713.db2.gz AGEQNJHVJLUIKM-BBRMVZONSA-N 1 1 346.521 3.920 50 0 EHAAMO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000069770671 564172028 /nfs/dbraw/zinc/17/20/28/564172028.db2.gz URRAZDDREZGNDJ-JSGCOSHPSA-N 1 1 337.427 3.764 50 0 EHAAMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000069770671 564172029 /nfs/dbraw/zinc/17/20/29/564172029.db2.gz URRAZDDREZGNDJ-JSGCOSHPSA-N 1 1 337.427 3.764 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@H]3CC3CCCCC3)cc(=O)n12 ZINC000071845382 564175945 /nfs/dbraw/zinc/17/59/45/564175945.db2.gz DSHBLSAICVOTNK-KRWDZBQOSA-N 1 1 345.512 3.999 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@H+]2[C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000071875901 564176250 /nfs/dbraw/zinc/17/62/50/564176250.db2.gz DZYBMELWQBTESZ-UONOGXRCSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000071875901 564176251 /nfs/dbraw/zinc/17/62/51/564176251.db2.gz DZYBMELWQBTESZ-UONOGXRCSA-N 1 1 343.456 3.529 50 0 EHAAMO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)CC1 ZINC000169789061 1032651919 /nfs/dbraw/zinc/65/19/19/1032651919.db2.gz GBTQWPNQWBAUJW-HXUWFJFHSA-N 1 1 344.499 3.554 50 0 EHAAMO COc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1OCc1ccccc1 ZINC000008675579 1033948943 /nfs/dbraw/zinc/94/89/43/1033948943.db2.gz SCQLCWDRKPAQAI-LJQANCHMSA-N 1 1 341.451 3.621 50 0 EHAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2ccccc2)s1 ZINC000172233703 1034865412 /nfs/dbraw/zinc/86/54/12/1034865412.db2.gz VLQYDSOZMLKGRY-HNNXBMFYSA-N 1 1 328.481 3.829 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257176976 1038343639 /nfs/dbraw/zinc/34/36/39/1038343639.db2.gz DHHIXBSNNBWYQH-QGZVFWFLSA-N 1 1 343.496 3.685 50 0 EHAAMO Fc1ccc(-c2ccc(C[NH2+]Cc3cnc4n3CCCC4)o2)cc1 ZINC000370263597 1129507222 /nfs/dbraw/zinc/50/72/22/1129507222.db2.gz ZECZYZJTEJUVRJ-UHFFFAOYSA-N 1 1 325.387 3.908 50 0 EHAAMO COc1cccc2c1OCC(C[N@@H+](C)[C@@H](C)Cc1ncccc1C)=C2 ZINC000824801370 1131220310 /nfs/dbraw/zinc/22/03/10/1131220310.db2.gz PRGNMWXZHNNAFF-INIZCTEOSA-N 1 1 338.451 3.737 50 0 EHAAMO Cc1cnc(C2C[NH+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000575553414 1131573068 /nfs/dbraw/zinc/57/30/68/1131573068.db2.gz ZIWPSFHBJOXGRF-UHFFFAOYSA-N 1 1 335.426 3.978 50 0 EHAAMO Cc1c[nH+]c(C2CN(Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000575553414 1131573071 /nfs/dbraw/zinc/57/30/71/1131573071.db2.gz ZIWPSFHBJOXGRF-UHFFFAOYSA-N 1 1 335.426 3.978 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)CC3CCCCC3)C2)n1C1CC1 ZINC000581805194 1132366838 /nfs/dbraw/zinc/36/68/38/1132366838.db2.gz DEYWOHIGCUGCSQ-QGZVFWFLSA-N 1 1 329.488 3.888 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)NCc3ccccc3)C2)n1C(C)C ZINC000581805627 1132367625 /nfs/dbraw/zinc/36/76/25/1132367625.db2.gz DGTPEPVHAMNBMJ-GOSISDBHSA-N 1 1 340.471 3.547 50 0 EHAAMO Cc1cnc([C@H]2CC[N@@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816553 1132372210 /nfs/dbraw/zinc/37/22/10/1132372210.db2.gz ZFJPFRIEGGPMKD-FQEVSTJZSA-N 1 1 332.451 3.624 50 0 EHAAMO COc1ccc(C[N@H+](Cc2ncccn2)C2CCCCC2)cc1OC ZINC000192091697 1137001093 /nfs/dbraw/zinc/00/10/93/1137001093.db2.gz KLJXBPIGVPXSHF-UHFFFAOYSA-N 1 1 341.455 3.829 50 0 EHAAMO COc1ccc(C[N@@H+](Cc2ncccn2)C2CCCCC2)cc1OC ZINC000192091697 1137001095 /nfs/dbraw/zinc/00/10/95/1137001095.db2.gz KLJXBPIGVPXSHF-UHFFFAOYSA-N 1 1 341.455 3.829 50 0 EHAAMO Cc1ccc(C[N@H+](C)Cc2cccc(OCCCn3ccnc3)c2)o1 ZINC000952970599 1137484182 /nfs/dbraw/zinc/48/41/82/1137484182.db2.gz DBSDTXJYLBKFKF-UHFFFAOYSA-N 1 1 339.439 3.886 50 0 EHAAMO CCN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[N@H+](CC)C1 ZINC000952973362 1137484390 /nfs/dbraw/zinc/48/43/90/1137484390.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 1 1 347.890 3.758 50 0 EHAAMO CCN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[N@@H+](CC)C1 ZINC000952973362 1137484392 /nfs/dbraw/zinc/48/43/92/1137484392.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 1 1 347.890 3.758 50 0 EHAAMO CCN1CC[C@H](C[N@H+](CC)Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952973362 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CC(C)=CCC/C(C)=C/C[N@H+]1CCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000218949753 535346410 /nfs/dbraw/zinc/34/64/10/535346410.db2.gz RRCPWVKHXJDFAX-ZYEUVFMNSA-N 1 1 329.488 3.835 50 0 EHAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000000350499 563289003 /nfs/dbraw/zinc/28/90/03/563289003.db2.gz GBBGYHUYRLONBJ-HXUWFJFHSA-N 1 1 339.479 3.916 50 0 EHAAMO COc1ccc2c(c1)CCc1c-2nc2ccccc2c1NCC[NH+](C)C ZINC000000407436 563307005 /nfs/dbraw/zinc/30/70/05/563307005.db2.gz NCTOJOIQCBABRY-UHFFFAOYSA-N 1 1 347.462 3.983 50 0 EHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3C)c2)C1 ZINC000034670277 563445188 /nfs/dbraw/zinc/44/51/88/563445188.db2.gz YRTHSKCKWZELPZ-GOSISDBHSA-N 1 1 338.451 3.832 50 0 EHAAMO OCc1ccc(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)o1 ZINC000012570674 563663508 /nfs/dbraw/zinc/66/35/08/563663508.db2.gz SWYRSPLKOMYSEM-AWEZNQCLSA-N 1 1 335.394 3.895 50 0 EHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000012984823 563681939 /nfs/dbraw/zinc/68/19/39/563681939.db2.gz 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/nfs/dbraw/zinc/88/51/92/563885192.db2.gz KPWMPXQKQKHZJJ-MRXNPFEDSA-N 1 1 343.427 3.541 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)cc(=O)n12 ZINC000025443913 563885194 /nfs/dbraw/zinc/88/51/94/563885194.db2.gz KPWMPXQKQKHZJJ-MRXNPFEDSA-N 1 1 343.427 3.541 50 0 EHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000026494030 563891833 /nfs/dbraw/zinc/89/18/33/563891833.db2.gz DQGJCELNGPAFAU-KTKXKACQSA-N 1 1 338.495 3.594 50 0 EHAAMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1csc2ccccc21 ZINC000072268281 563895328 /nfs/dbraw/zinc/89/53/28/563895328.db2.gz QPKKGBTZRXOTNL-KGLIPLIRSA-N 1 1 331.485 3.555 50 0 EHAAMO COc1cccc(C[N@H+](Cc2csc(C)n2)C2CCC(O)CC2)c1 ZINC000096413226 563950866 /nfs/dbraw/zinc/95/08/66/563950866.db2.gz HAUYUWQREYPTSN-UHFFFAOYSA-N 1 1 346.496 3.766 50 0 EHAAMO COc1cccc(C[N@@H+](Cc2csc(C)n2)C2CCC(O)CC2)c1 ZINC000096413226 563950867 /nfs/dbraw/zinc/95/08/67/563950867.db2.gz HAUYUWQREYPTSN-UHFFFAOYSA-N 1 1 346.496 3.766 50 0 EHAAMO Cc1nc(C(C)(C)[NH2+]CC(=O)N[C@H](C)c2cccs2)sc1C ZINC000096443582 563953176 /nfs/dbraw/zinc/95/31/76/563953176.db2.gz ZPGQXGDVXJJGFR-LLVKDONJSA-N 1 1 337.514 3.524 50 0 EHAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)on1 ZINC000064984408 563957430 /nfs/dbraw/zinc/95/74/30/563957430.db2.gz ANZJMYUZNGQIQA-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)on1 ZINC000064984408 563957431 /nfs/dbraw/zinc/95/74/31/563957431.db2.gz ANZJMYUZNGQIQA-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO CCc1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)nc1 ZINC000065373283 563958690 /nfs/dbraw/zinc/95/86/90/563958690.db2.gz HCBLSFCHRFFBGU-UHFFFAOYSA-N 1 1 332.451 3.514 50 0 EHAAMO C/C=C/C[N@H+]1CCC=C(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000065404402 563959954 /nfs/dbraw/zinc/95/99/54/563959954.db2.gz INJFMHOYIWFYCA-NSCUHMNNSA-N 1 1 328.500 3.527 50 0 EHAAMO COCCn1c[nH+]cc1Cn1cnc(-c2ccccc2)c1C=C(C)C ZINC000065434325 563960956 /nfs/dbraw/zinc/96/09/56/563960956.db2.gz 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563968756 /nfs/dbraw/zinc/96/87/56/563968756.db2.gz KEDJJKHFHAYYCB-INIZCTEOSA-N 1 1 330.476 3.827 50 0 EHAAMO Fc1cc(Cl)cnc1N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137823 563972671 /nfs/dbraw/zinc/97/26/71/563972671.db2.gz MGIUNNYQFINIHN-CYBMUJFWSA-N 1 1 334.826 3.865 50 0 EHAAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147408 563972713 /nfs/dbraw/zinc/97/27/13/563972713.db2.gz ZRSUIMKFHNWNNI-ZDUSSCGKSA-N 1 1 341.352 3.958 50 0 EHAAMO COc1ccccc1NC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC=C(C)C)C1 ZINC000091320955 563975253 /nfs/dbraw/zinc/97/52/53/563975253.db2.gz AXMXTAYNGKCUIC-IAGOWNOFSA-N 1 1 343.471 3.590 50 0 EHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CC(C)(C)c1ccccc1)C2 ZINC000091575472 563975521 /nfs/dbraw/zinc/97/55/21/563975521.db2.gz YWASVWZJVJDPAJ-IEBWSBKVSA-N 1 1 328.500 3.687 50 0 EHAAMO CCn1ccnc1[C@@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028258 563975989 /nfs/dbraw/zinc/97/59/89/563975989.db2.gz QLFBVALRFONFPB-QGZVFWFLSA-N 1 1 343.446 3.885 50 0 EHAAMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000014171787 563983351 /nfs/dbraw/zinc/98/33/51/563983351.db2.gz JHDIEZZTLSARIQ-CYBMUJFWSA-N 1 1 334.366 3.747 50 0 EHAAMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000014171787 563983352 /nfs/dbraw/zinc/98/33/52/563983352.db2.gz JHDIEZZTLSARIQ-CYBMUJFWSA-N 1 1 334.366 3.747 50 0 EHAAMO COc1cccc(NC(=O)N2CCC([N@@H+](C)CCC(C)C)CC2)c1 ZINC000000261529 563989693 /nfs/dbraw/zinc/98/96/93/563989693.db2.gz IAUHWRMAJXZAMD-UHFFFAOYSA-N 1 1 333.476 3.669 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155172868 563995536 /nfs/dbraw/zinc/99/55/36/563995536.db2.gz CLNYOVWFOQANHQ-IBGZPJMESA-N 1 1 334.423 3.817 50 0 EHAAMO CC(=O)Nc1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272708340 564007487 /nfs/dbraw/zinc/00/74/87/564007487.db2.gz BZZQQXKWJHKOQG-VQIMIIECSA-N 1 1 337.467 3.968 50 0 EHAAMO Cc1ccc2cc(CNc3ccc(NC(=O)C[NH+](C)C)cc3)ccc2n1 ZINC000189396039 564015106 /nfs/dbraw/zinc/01/51/06/564015106.db2.gz JMZMYWFOLIOJAT-UHFFFAOYSA-N 1 1 348.450 3.655 50 0 EHAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000107355733 564026916 /nfs/dbraw/zinc/02/69/16/564026916.db2.gz SKCLLAYNYOHHQW-HZPDHXFCSA-N 1 1 342.549 3.849 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000107493137 564026937 /nfs/dbraw/zinc/02/69/37/564026937.db2.gz HMKFKASBVMNXAW-VGOFRKELSA-N 1 1 348.490 3.670 50 0 EHAAMO O=C(c1cc2ccccc2o1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045799851 564028679 /nfs/dbraw/zinc/02/86/79/564028679.db2.gz OMVJEGIHFMHTLM-UHFFFAOYSA-N 1 1 334.419 3.781 50 0 EHAAMO Cc1ccoc1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048354722 564031322 /nfs/dbraw/zinc/03/13/22/564031322.db2.gz DMXVJSRNTNSUGZ-IYBDPMFKSA-N 1 1 340.467 3.996 50 0 EHAAMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000059356500 564050679 /nfs/dbraw/zinc/05/06/79/564050679.db2.gz TXXJECHGNXLIHS-UHFFFAOYSA-N 1 1 345.487 3.865 50 0 EHAAMO COc1ccc2[nH]c3c(c2c1)C[N@H+](CCc1csc(C)n1)CC3 ZINC000252479644 564053355 /nfs/dbraw/zinc/05/33/55/564053355.db2.gz BJEGLXKBXBEILM-UHFFFAOYSA-N 1 1 327.453 3.542 50 0 EHAAMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](CCc1csc(C)n1)CC3 ZINC000252479644 564053356 /nfs/dbraw/zinc/05/33/56/564053356.db2.gz BJEGLXKBXBEILM-UHFFFAOYSA-N 1 1 327.453 3.542 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3ccccc3OC3CCCC3)[C@H]1C[C@@H](O)CC2 ZINC000299764524 564060757 /nfs/dbraw/zinc/06/07/57/564060757.db2.gz IQJCYTNUUDBLED-DZFGPLHGSA-N 1 1 345.483 3.512 50 0 EHAAMO c1ccc(C[NH+]2CCC3(CC2)NCCc2c4ccccc4[nH]c23)cc1 ZINC000001381949 564063988 /nfs/dbraw/zinc/06/39/88/564063988.db2.gz MVEXZVFEFIOCPX-UHFFFAOYSA-N 1 1 331.463 3.805 50 0 biogenic EHAAMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc4c(c3)OCCO4)co2)cc1 ZINC000073884391 564066071 /nfs/dbraw/zinc/06/60/71/564066071.db2.gz PFQLFDNKKDZIHO-UHFFFAOYSA-N 1 1 336.391 3.711 50 0 EHAAMO Brc1cc2cccnc2c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000084493625 564068269 /nfs/dbraw/zinc/06/82/69/564068269.db2.gz AFZSVMZLIRHXPX-QGZVFWFLSA-N 1 1 347.256 3.610 50 0 EHAAMO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000084661132 564069496 /nfs/dbraw/zinc/06/94/96/564069496.db2.gz YCXBXXYFKKZAJW-QGZVFWFLSA-N 1 1 332.451 3.509 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1Cc1ccccc1 ZINC000084789174 564070245 /nfs/dbraw/zinc/07/02/45/564070245.db2.gz XABICZPELXZPLY-LJQANCHMSA-N 1 1 337.467 3.883 50 0 EHAAMO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000012789423 564070474 /nfs/dbraw/zinc/07/04/74/564070474.db2.gz RYCHOOJFBZOIOF-UHFFFAOYSA-N 1 1 332.447 3.896 50 0 EHAAMO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000012789423 564070475 /nfs/dbraw/zinc/07/04/75/564070475.db2.gz RYCHOOJFBZOIOF-UHFFFAOYSA-N 1 1 332.447 3.896 50 0 EHAAMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369189 564087556 /nfs/dbraw/zinc/08/75/56/564087556.db2.gz TZLXHHRPSYXZGO-DYEKYZERSA-N 1 1 332.879 3.503 50 0 EHAAMO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369189 564087557 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SSMSSYDSQBAULI-INIZCTEOSA-N 1 1 331.843 3.701 50 0 EHAAMO CC[N@H+]1CCC[C@@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 ZINC000299757575 258075276 /nfs/dbraw/zinc/07/52/76/258075276.db2.gz KFLZKXJJGVIDCL-GOSISDBHSA-N 1 1 339.430 3.530 50 0 EHAAMO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000756 534054943 /nfs/dbraw/zinc/05/49/43/534054943.db2.gz DURYVBLVAXQESN-JKSUJKDBSA-N 1 1 336.907 3.534 50 0 EHAAMO CCC[N@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1C ZINC000036100590 521685157 /nfs/dbraw/zinc/68/51/57/521685157.db2.gz HLCCWTUDUHSESG-FQEVSTJZSA-N 1 1 327.468 3.955 50 0 EHAAMO c1ccc2c(c1)N=C(NNC1=[NH+]c3ccccc3SC1)CS2 ZINC000000160539 563248884 /nfs/dbraw/zinc/24/88/84/563248884.db2.gz WDMVJUXZJKURTJ-UHFFFAOYSA-N 1 1 326.450 3.752 50 0 EHAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1 ZINC000000587323 563351706 /nfs/dbraw/zinc/35/17/06/563351706.db2.gz MNUKLPPCJLKFJX-UHFFFAOYSA-N 1 1 349.887 3.796 50 0 EHAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000006455763 563568468 /nfs/dbraw/zinc/56/84/68/563568468.db2.gz WQSJKFDKTGKSBV-PXNSSMCTSA-N 1 1 325.452 3.825 50 0 EHAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012575577 563663517 /nfs/dbraw/zinc/66/35/17/563663517.db2.gz NNVICDMGILPLAX-SFHVURJKSA-N 1 1 342.414 3.673 50 0 EHAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000014787009 563764535 /nfs/dbraw/zinc/76/45/35/563764535.db2.gz XXFQDWSEAKDVLH-LBPRGKRZSA-N 1 1 333.432 3.620 50 0 EHAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000014787009 563764537 /nfs/dbraw/zinc/76/45/37/563764537.db2.gz XXFQDWSEAKDVLH-LBPRGKRZSA-N 1 1 333.432 3.620 50 0 EHAAMO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)[NH2+]Cc1ccccn1 ZINC000014979492 563770082 /nfs/dbraw/zinc/77/00/82/563770082.db2.gz SREVDHUNZCQGRP-HNNXBMFYSA-N 1 1 339.487 3.800 50 0 EHAAMO CC(C)C[N@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014993491 563770857 /nfs/dbraw/zinc/77/08/57/563770857.db2.gz VPCYTSWLRFLBDO-QGZVFWFLSA-N 1 1 344.528 3.943 50 0 EHAAMO COc1ccc(-c2nnc([C@H](C)[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000015461050 563784885 /nfs/dbraw/zinc/78/48/85/563784885.db2.gz UAZQKAHIRXQEGM-AWEZNQCLSA-N 1 1 335.407 3.865 50 0 EHAAMO COc1ccc(-c2nnc([C@H](C)[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000015461050 563784888 /nfs/dbraw/zinc/78/48/88/563784888.db2.gz UAZQKAHIRXQEGM-AWEZNQCLSA-N 1 1 335.407 3.865 50 0 EHAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000016661351 563819745 /nfs/dbraw/zinc/81/97/45/563819745.db2.gz YXKBPJHCYOZQPO-UHFFFAOYSA-N 1 1 328.460 3.637 50 0 EHAAMO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000024673161 563874123 /nfs/dbraw/zinc/87/41/23/563874123.db2.gz MNMVRQWJQGIYBK-MRXNPFEDSA-N 1 1 338.451 3.934 50 0 EHAAMO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000025229083 563882340 /nfs/dbraw/zinc/88/23/40/563882340.db2.gz DINOAOFUBPAGPQ-SJLPKXTDSA-N 1 1 345.464 3.528 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000075602498 563921476 /nfs/dbraw/zinc/92/14/76/563921476.db2.gz MILLIVLFVNFBCQ-AWEZNQCLSA-N 1 1 344.484 3.818 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)Nc3cc(F)ccc3F)CC2)[nH+]1 ZINC000071911695 563932213 /nfs/dbraw/zinc/93/22/13/563932213.db2.gz VUZOBDPOJIERFR-UHFFFAOYSA-N 1 1 346.381 3.777 50 0 EHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000058176657 563939093 /nfs/dbraw/zinc/93/90/93/563939093.db2.gz JNPZFFYCXWKDAF-HNNXBMFYSA-N 1 1 342.439 3.511 50 0 EHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000058176657 563939095 /nfs/dbraw/zinc/93/90/95/563939095.db2.gz JNPZFFYCXWKDAF-HNNXBMFYSA-N 1 1 342.439 3.511 50 0 EHAAMO Cc1cccc2cc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)oc21 ZINC000058393320 563944727 /nfs/dbraw/zinc/94/47/27/563944727.db2.gz VUDCKOSECNTMHF-OAHLLOKOSA-N 1 1 328.456 3.983 50 0 EHAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H](C)n2cc[nH+]c2C)c1C ZINC000071614889 563964646 /nfs/dbraw/zinc/96/46/46/563964646.db2.gz WQVOVGQWZKIWBN-AWEZNQCLSA-N 1 1 338.455 3.729 50 0 EHAAMO CCCn1cc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c(C)n1 ZINC000071758888 563965329 /nfs/dbraw/zinc/96/53/29/563965329.db2.gz PNGREFOBYFOWMG-FQEVSTJZSA-N 1 1 332.536 3.544 50 0 EHAAMO CC(C)[C@H]1CN(C(=O)C2(C)CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071761437 563965359 /nfs/dbraw/zinc/96/53/59/563965359.db2.gz JCAMVDSJDJLXQI-GOSISDBHSA-N 1 1 332.463 3.685 50 0 EHAAMO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCC[N@H+]1CC1CC1 ZINC000071761066 563965368 /nfs/dbraw/zinc/96/53/68/563965368.db2.gz XRPFKSOUPPZAFJ-HXUWFJFHSA-N 1 1 339.483 3.750 50 0 EHAAMO Cc1cccc(C[NH+]2CCC(N[C@@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016542 563966694 /nfs/dbraw/zinc/96/66/94/563966694.db2.gz CIKVDICTDNEJSQ-KRWDZBQOSA-N 1 1 338.499 3.717 50 0 EHAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357601 563969190 /nfs/dbraw/zinc/96/91/90/563969190.db2.gz BXAQUBPULRURCR-QGZVFWFLSA-N 1 1 329.492 3.657 50 0 EHAAMO Cc1[nH+]ccn1CCC(=O)N1CCCC[C@H]1CCc1cccs1 ZINC000082137567 563972632 /nfs/dbraw/zinc/97/26/32/563972632.db2.gz QZHBEULUMNOOTQ-INIZCTEOSA-N 1 1 331.485 3.657 50 0 EHAAMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCc3sccc3C2)CC1 ZINC000072280417 563973194 /nfs/dbraw/zinc/97/31/94/563973194.db2.gz PNJWEBWOCMFUGL-UHFFFAOYSA-N 1 1 336.501 3.753 50 0 EHAAMO Cc1nnc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)n1C ZINC000132816831 563976321 /nfs/dbraw/zinc/97/63/21/563976321.db2.gz QZQMIMUMZPQSOY-GOSISDBHSA-N 1 1 340.858 3.851 50 0 EHAAMO C[N@@H+](Cn1c2ccc(Br)cc2oc1=O)C1CCCCC1 ZINC000000175072 563987644 /nfs/dbraw/zinc/98/76/44/563987644.db2.gz XVYCNNGDPAQWGV-UHFFFAOYSA-N 1 1 339.233 3.579 50 0 biogenic EHAAMO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCn3nc(C)nc31)CCCS2 ZINC000188227791 564001909 /nfs/dbraw/zinc/00/19/09/564001909.db2.gz MHKJMHHNZMZYBE-HOTGVXAUSA-N 1 1 344.484 3.647 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)n1 ZINC000189088913 564014541 /nfs/dbraw/zinc/01/45/41/564014541.db2.gz RMPKCZWTMLUUPB-OAQYLSRUSA-N 1 1 349.478 3.502 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000102536810 564020158 /nfs/dbraw/zinc/02/01/58/564020158.db2.gz HPZFWZRVZYQFJM-DLBZAZTESA-N 1 1 329.488 3.736 50 0 EHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CC ZINC000105750592 564025321 /nfs/dbraw/zinc/02/53/21/564025321.db2.gz AMJPXWUZBPWAJA-MJGOQNOKSA-N 1 1 335.488 3.608 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000047415953 564026268 /nfs/dbraw/zinc/02/62/68/564026268.db2.gz GNKVIIGQAFQYJY-CALCHBBNSA-N 1 1 341.499 3.585 50 0 EHAAMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000106860876 564026706 /nfs/dbraw/zinc/02/67/06/564026706.db2.gz REFDHLMUEXJPCQ-QWHCGFSZSA-N 1 1 328.378 3.556 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000044670937 564027092 /nfs/dbraw/zinc/02/70/92/564027092.db2.gz YVKGWKXCSVVXNY-LLVKDONJSA-N 1 1 340.851 3.908 50 0 EHAAMO CC(C)c1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCC(C)(C)C2)n1 ZINC000048267874 564030398 /nfs/dbraw/zinc/03/03/98/564030398.db2.gz GOIQZOQOVCXHCX-UHFFFAOYSA-N 1 1 325.456 3.792 50 0 EHAAMO CCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048354670 564031365 /nfs/dbraw/zinc/03/13/65/564031365.db2.gz SZHYDZNPBGKIPL-STQMWFEESA-N 1 1 326.400 3.714 50 0 EHAAMO CCc1noc([C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048354670 564031366 /nfs/dbraw/zinc/03/13/66/564031366.db2.gz SZHYDZNPBGKIPL-STQMWFEESA-N 1 1 326.400 3.714 50 0 EHAAMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000062652553 564031930 /nfs/dbraw/zinc/03/19/30/564031930.db2.gz SHEZKYYMMGSSOD-FQEVSTJZSA-N 1 1 343.515 3.525 50 0 EHAAMO COc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC ZINC000048713649 564032109 /nfs/dbraw/zinc/03/21/09/564032109.db2.gz WKXVVGSRFULVIL-LLVKDONJSA-N 1 1 337.366 3.841 50 0 EHAAMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)c(F)c1 ZINC000008214133 564034882 /nfs/dbraw/zinc/03/48/82/564034882.db2.gz SKDOTCQCHKQHSS-UHFFFAOYSA-N 1 1 344.430 3.912 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)c(F)c1 ZINC000008214133 564034883 /nfs/dbraw/zinc/03/48/83/564034883.db2.gz SKDOTCQCHKQHSS-UHFFFAOYSA-N 1 1 344.430 3.912 50 0 EHAAMO CC[N@@H+](CC(=O)N1CCc2ccccc21)[C@@H](C)c1cccc(OC)c1 ZINC000032927270 564036303 /nfs/dbraw/zinc/03/63/03/564036303.db2.gz UNGZZUGREJPEKE-INIZCTEOSA-N 1 1 338.451 3.667 50 0 EHAAMO CC[N@H+]1CCCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)CC1 ZINC000222295640 564036795 /nfs/dbraw/zinc/03/67/95/564036795.db2.gz VEKIBDUPPXFWNZ-UHFFFAOYSA-N 1 1 338.451 3.530 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000229431377 564063358 /nfs/dbraw/zinc/06/33/58/564063358.db2.gz PSBRWXBUYYSRKT-RBSFLKMASA-N 1 1 343.393 3.724 50 0 EHAAMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1C ZINC000084075116 564066145 /nfs/dbraw/zinc/06/61/45/564066145.db2.gz AIEDISYFGYKFLD-SFHVURJKSA-N 1 1 339.483 3.928 50 0 EHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012756611 564067335 /nfs/dbraw/zinc/06/73/35/564067335.db2.gz MUBWPVUEIFXKDS-LJQANCHMSA-N 1 1 325.408 3.819 50 0 EHAAMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1nnc(C)o1 ZINC000185924045 564075119 /nfs/dbraw/zinc/07/51/19/564075119.db2.gz ZCLHGWLASBICJZ-CYBMUJFWSA-N 1 1 338.249 3.594 50 0 EHAAMO COc1ccc2cc(C[N@H+](C)[C@H](C(N)=O)c3ccccc3)ccc2c1 ZINC000012903292 564077804 /nfs/dbraw/zinc/07/78/04/564077804.db2.gz HKLQTTJVHZDMMO-FQEVSTJZSA-N 1 1 334.419 3.507 50 0 EHAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C(N)=O)c3ccccc3)ccc2c1 ZINC000012903292 564077805 /nfs/dbraw/zinc/07/78/05/564077805.db2.gz HKLQTTJVHZDMMO-FQEVSTJZSA-N 1 1 334.419 3.507 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N(Cc1ccco1)c1ccc(F)cc1 ZINC000075136925 564080495 /nfs/dbraw/zinc/08/04/95/564080495.db2.gz KLRIDJMJGXAGNO-UHFFFAOYSA-N 1 1 341.386 3.937 50 0 EHAAMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000245393426 564088683 /nfs/dbraw/zinc/08/86/83/564088683.db2.gz CTHYYUMGDOTWLX-HKUYNNGSSA-N 1 1 330.472 3.623 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3ccc(-c4ccccc4F)o3)[C@H]1C[C@H](O)CC2 ZINC000426711968 564094412 /nfs/dbraw/zinc/09/44/12/564094412.db2.gz BXHVSLBYCAAFRL-VOBQZIQPSA-N 1 1 345.414 3.590 50 0 EHAAMO COc1ccccc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006741528 564096781 /nfs/dbraw/zinc/09/67/81/564096781.db2.gz KNNPWIVBSVFOBE-UHFFFAOYSA-N 1 1 338.451 3.588 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039321 564103538 /nfs/dbraw/zinc/10/35/38/564103538.db2.gz GWCRUTRIUXGWLN-GOSISDBHSA-N 1 1 325.456 3.672 50 0 EHAAMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007039321 564103539 /nfs/dbraw/zinc/10/35/39/564103539.db2.gz GWCRUTRIUXGWLN-GOSISDBHSA-N 1 1 325.456 3.672 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)s1 ZINC000065286796 564104434 /nfs/dbraw/zinc/10/44/34/564104434.db2.gz YSYRXNWLGRERQU-HNNXBMFYSA-N 1 1 339.468 3.616 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)s1 ZINC000065286796 564104435 /nfs/dbraw/zinc/10/44/35/564104435.db2.gz YSYRXNWLGRERQU-HNNXBMFYSA-N 1 1 339.468 3.616 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)s1 ZINC000065286796 564104436 /nfs/dbraw/zinc/10/44/36/564104436.db2.gz YSYRXNWLGRERQU-HNNXBMFYSA-N 1 1 339.468 3.616 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000065547739 564107353 /nfs/dbraw/zinc/10/73/53/564107353.db2.gz NYLZRRZGTQSYED-KRWDZBQOSA-N 1 1 344.503 3.529 50 0 EHAAMO C[C@@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1 ZINC000089913633 564115230 /nfs/dbraw/zinc/11/52/30/564115230.db2.gz HISGDSNTYICREI-OCCSQVGLSA-N 1 1 343.475 3.669 50 0 EHAAMO Cc1ccc([C@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C(C)(C)C)o1 ZINC000252486331 564119322 /nfs/dbraw/zinc/11/93/22/564119322.db2.gz INNKCJLSWHAPDG-RDJZCZTQSA-N 1 1 333.476 3.555 50 0 EHAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000252511380 564120086 /nfs/dbraw/zinc/12/00/86/564120086.db2.gz GEEPZPGWBFNJLF-PMACEKPBSA-N 1 1 341.499 3.625 50 0 EHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000007814777 564123989 /nfs/dbraw/zinc/12/39/89/564123989.db2.gz YMZKWAQZMGLEHL-OAHLLOKOSA-N 1 1 343.452 3.505 50 0 EHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc2ccn(C)c2c1 ZINC000253414954 564130703 /nfs/dbraw/zinc/13/07/03/564130703.db2.gz ZEDSWABWPAGTSU-RBUKOAKNSA-N 1 1 339.483 3.515 50 0 biogenic EHAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)N(C)CC[C@@H]3CCCCO3)c2)[nH+]1 ZINC000584901050 564131715 /nfs/dbraw/zinc/13/17/15/564131715.db2.gz ANWHNCWEKZGVBD-SFHVURJKSA-N 1 1 341.455 3.725 50 0 EHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC(F)(F)F)c1 ZINC000298652916 564132404 /nfs/dbraw/zinc/13/24/04/564132404.db2.gz FAZHQGDRPKYSGY-UHFFFAOYSA-N 1 1 340.349 3.739 50 0 EHAAMO O=C(NCCC1=CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000390835105 564138964 /nfs/dbraw/zinc/13/89/64/564138964.db2.gz CRDVLVZMFYZURD-UHFFFAOYSA-N 1 1 346.381 3.825 50 0 EHAAMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C3CCCC3)[C@H](C)C2)s1 ZINC000095407991 564139604 /nfs/dbraw/zinc/13/96/04/564139604.db2.gz MRTTXROIICQFIL-GLJUWKHASA-N 1 1 349.544 3.604 50 0 EHAAMO Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000095463319 564140922 /nfs/dbraw/zinc/14/09/22/564140922.db2.gz ABSNATUIJFEMAT-HNNXBMFYSA-N 1 1 329.419 3.776 50 0 EHAAMO Cc1ccc(CNC(=O)c2ccccc2Cl)c(N2CCCC2)[nH+]1 ZINC000095469060 564141200 /nfs/dbraw/zinc/14/12/00/564141200.db2.gz KKIHQDKVGDYQNT-UHFFFAOYSA-N 1 1 329.831 3.574 50 0 EHAAMO Cc1cc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)no1 ZINC000057395780 564153918 /nfs/dbraw/zinc/15/39/18/564153918.db2.gz CRTVCWQQDCCDCP-HNNXBMFYSA-N 1 1 335.407 3.689 50 0 EHAAMO C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)C1 ZINC000057727593 564155543 /nfs/dbraw/zinc/15/55/43/564155543.db2.gz SPGHNBDQOIIJKM-KRWDZBQOSA-N 1 1 329.831 3.861 50 0 EHAAMO C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)C1 ZINC000057727593 564155544 /nfs/dbraw/zinc/15/55/44/564155544.db2.gz SPGHNBDQOIIJKM-KRWDZBQOSA-N 1 1 329.831 3.861 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000057863879 564156273 /nfs/dbraw/zinc/15/62/73/564156273.db2.gz KRHGFFVACNBCKL-GFCCVEGCSA-N 1 1 330.815 3.659 50 0 EHAAMO Cc1nc2scc(-c3ccccc3)c2c(N2CCC[N@H+](C)CC2)n1 ZINC000008178102 564163303 /nfs/dbraw/zinc/16/33/03/564163303.db2.gz HBXDHDOWWOFCIG-UHFFFAOYSA-N 1 1 338.480 3.809 50 0 EHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000069472124 564169778 /nfs/dbraw/zinc/16/97/78/564169778.db2.gz RWARDXXZEGIPTB-SFHVURJKSA-N 1 1 328.500 3.573 50 0 EHAAMO O=S(=O)(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000069873651 564172642 /nfs/dbraw/zinc/17/26/42/564172642.db2.gz XAERXGYEOHDAIT-INIZCTEOSA-N 1 1 349.883 3.603 50 0 EHAAMO O=S(=O)(CC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000069873651 564172643 /nfs/dbraw/zinc/17/26/43/564172643.db2.gz XAERXGYEOHDAIT-INIZCTEOSA-N 1 1 349.883 3.603 50 0 EHAAMO O=C1NCCCCCC[N@H+](Cc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]12 ZINC000257185607 1032682259 /nfs/dbraw/zinc/68/22/59/1032682259.db2.gz XFCKQSGNFZIWHS-QAPCUYQASA-N 1 1 336.426 3.626 50 0 EHAAMO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)o2)c1 ZINC000152206687 1036126006 /nfs/dbraw/zinc/12/60/06/1036126006.db2.gz VSBPXEVRKYMYOG-QGZVFWFLSA-N 1 1 339.370 3.529 50 0 EHAAMO Fc1cccc(-c2cnc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)o2)c1 ZINC000152206687 1036126015 /nfs/dbraw/zinc/12/60/15/1036126015.db2.gz VSBPXEVRKYMYOG-QGZVFWFLSA-N 1 1 339.370 3.529 50 0 EHAAMO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)o2)c1 ZINC000152206595 1036126880 /nfs/dbraw/zinc/12/68/80/1036126880.db2.gz VSBPXEVRKYMYOG-KRWDZBQOSA-N 1 1 339.370 3.529 50 0 EHAAMO Fc1cccc(-c2cnc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)o2)c1 ZINC000152206595 1036126884 /nfs/dbraw/zinc/12/68/84/1036126884.db2.gz VSBPXEVRKYMYOG-KRWDZBQOSA-N 1 1 339.370 3.529 50 0 EHAAMO CCc1ccc([C@H](O)CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000367682207 1127067563 /nfs/dbraw/zinc/06/75/63/1127067563.db2.gz AKPMFOYIWLHRKF-OAQYLSRUSA-N 1 1 330.516 3.669 50 0 EHAAMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)cc(OC)c1 ZINC000155117723 1123192044 /nfs/dbraw/zinc/19/20/44/1123192044.db2.gz NPPKGXCREMESMY-CQSZACIVSA-N 1 1 347.484 3.545 50 0 EHAAMO Cc1cc2c(cc1C[N@H+]1CCC[C@H]1c1nc3ccccc3n1C)OCO2 ZINC000825151066 1131253895 /nfs/dbraw/zinc/25/38/95/1131253895.db2.gz FFVKGKDYPVTUIE-SFHVURJKSA-N 1 1 349.434 3.948 50 0 EHAAMO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1nc3ccccc3n1C)OCO2 ZINC000825151066 1131253899 /nfs/dbraw/zinc/25/38/99/1131253899.db2.gz FFVKGKDYPVTUIE-SFHVURJKSA-N 1 1 349.434 3.948 50 0 EHAAMO Clc1ccc2nc(CC[NH2+][C@@H]3CCN(c4ccccc4)C3)[nH]c2c1 ZINC000825573682 1131281518 /nfs/dbraw/zinc/28/15/18/1131281518.db2.gz DZKSJEYDHXENRC-OAHLLOKOSA-N 1 1 340.858 3.627 50 0 EHAAMO O[C@@H]1C[N@H+](CC2=Cc3cc(Cl)ccc3OC2)Cc2ccccc21 ZINC000825569619 1131281677 /nfs/dbraw/zinc/28/16/77/1131281677.db2.gz ZLSDWTGNHWWWBI-GOSISDBHSA-N 1 1 327.811 3.665 50 0 EHAAMO O[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)Cc2ccccc21 ZINC000825569619 1131281679 /nfs/dbraw/zinc/28/16/79/1131281679.db2.gz ZLSDWTGNHWWWBI-GOSISDBHSA-N 1 1 327.811 3.665 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(N2CCCC2=O)c1 ZINC000182118239 1125173656 /nfs/dbraw/zinc/17/36/56/1125173656.db2.gz BRPCRRLPRXLQGC-CYBMUJFWSA-N 1 1 329.831 3.713 50 0 EHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000011937758 1129192956 /nfs/dbraw/zinc/19/29/56/1129192956.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 1 1 337.511 3.777 50 0 EHAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)o1 ZINC000012576770 1129438411 /nfs/dbraw/zinc/43/84/11/1129438411.db2.gz POXORRCGADFZDP-MRXNPFEDSA-N 1 1 343.423 3.530 50 0 EHAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)o1 ZINC000012576770 1129438415 /nfs/dbraw/zinc/43/84/15/1129438415.db2.gz POXORRCGADFZDP-MRXNPFEDSA-N 1 1 343.423 3.530 50 0 EHAAMO C[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2F)CC1 ZINC000012596815 1129441043 /nfs/dbraw/zinc/44/10/43/1129441043.db2.gz WZNXRMRROOOASB-IBGZPJMESA-N 1 1 340.442 3.512 50 0 EHAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000823557600 1131073810 /nfs/dbraw/zinc/07/38/10/1131073810.db2.gz WSEVBFRFPIKYQU-UHFFFAOYSA-N 1 1 340.471 3.592 50 0 EHAAMO COCCn1ccnc1C[N@H+](Cc1ccsc1)C1CCCCC1 ZINC000824466012 1131207470 /nfs/dbraw/zinc/20/74/70/1131207470.db2.gz BBMNMEFNICYKRD-UHFFFAOYSA-N 1 1 333.501 3.926 50 0 EHAAMO COCCn1ccnc1C[N@@H+](Cc1ccsc1)C1CCCCC1 ZINC000824466012 1131207474 /nfs/dbraw/zinc/20/74/74/1131207474.db2.gz BBMNMEFNICYKRD-UHFFFAOYSA-N 1 1 333.501 3.926 50 0 EHAAMO CC[N@H+]1CCCC[C@H]1CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000585092637 1136994121 /nfs/dbraw/zinc/99/41/21/1136994121.db2.gz HQWMEICXIJVTKT-NPMABZOXSA-N 1 1 349.422 3.898 50 0 EHAAMO CC[N@@H+](Cc1cnn(-c2ccccc2F)c1)[C@H]1CCOC(C)(C)C1 ZINC000952846129 1137482798 /nfs/dbraw/zinc/48/27/98/1137482798.db2.gz GJQWBFIEHVMNRB-INIZCTEOSA-N 1 1 331.435 3.791 50 0 EHAAMO O=c1[nH]c2cc(Cl)ccc2cc1C[N@@H+](CCO)Cc1cccs1 ZINC000952873179 1137482990 /nfs/dbraw/zinc/48/29/90/1137482990.db2.gz WOKSGPWHZHQDQW-UHFFFAOYSA-N 1 1 348.855 3.650 50 0 EHAAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC000054121940 214218416 /nfs/dbraw/zinc/21/84/16/214218416.db2.gz WWJNJNQABLOMSX-UHFFFAOYSA-N 1 1 346.471 3.852 50 0 EHAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC000054121940 214218418 /nfs/dbraw/zinc/21/84/18/214218418.db2.gz WWJNJNQABLOMSX-UHFFFAOYSA-N 1 1 346.471 3.852 50 0 EHAAMO c1cnc2c(c1)cccc2CN1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000055107546 214273692 /nfs/dbraw/zinc/27/36/92/214273692.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 1 1 335.495 3.933 50 0 EHAAMO c1cnc2c(c1)cccc2CN1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000055107546 214273695 /nfs/dbraw/zinc/27/36/95/214273695.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 1 1 335.495 3.933 50 0 EHAAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(F)c(OC)c1F ZINC000055183186 214285611 /nfs/dbraw/zinc/28/56/11/214285611.db2.gz RARDTWJPQXVRHQ-CQSZACIVSA-N 1 1 341.423 3.808 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(F)c(OC)c1F ZINC000055183186 214285612 /nfs/dbraw/zinc/28/56/12/214285612.db2.gz RARDTWJPQXVRHQ-CQSZACIVSA-N 1 1 341.423 3.808 50 0 EHAAMO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055404178 214320706 /nfs/dbraw/zinc/32/07/06/214320706.db2.gz CRDMMPKFDURCLO-UONOGXRCSA-N 1 1 343.446 3.533 50 0 EHAAMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1CCC1 ZINC000058264255 214518304 /nfs/dbraw/zinc/51/83/04/214518304.db2.gz XAAZOQPAUBLWCE-UHFFFAOYSA-N 1 1 340.389 3.586 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)cc2)N3)C1 ZINC000004556140 210220861 /nfs/dbraw/zinc/22/08/61/210220861.db2.gz PKWNGWNXZSEKJM-MRXNPFEDSA-N 1 1 327.453 3.863 50 0 EHAAMO COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC000067561410 215162173 /nfs/dbraw/zinc/16/21/73/215162173.db2.gz LGVGBBWYHLWSKJ-OAQYLSRUSA-N 1 1 344.499 3.556 50 0 EHAAMO CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC000067676570 215182157 /nfs/dbraw/zinc/18/21/57/215182157.db2.gz OVOTYTHPMVMEKE-JOCHJYFZSA-N 1 1 336.479 3.983 50 0 EHAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000067973693 215263687 /nfs/dbraw/zinc/26/36/87/215263687.db2.gz BJUWBAPLVKOJSB-MRXNPFEDSA-N 1 1 343.434 3.984 50 0 EHAAMO O=C(CCc1ccsc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000039510576 213238300 /nfs/dbraw/zinc/23/83/00/213238300.db2.gz HBKOHTJLERQHQT-QGZVFWFLSA-N 1 1 334.529 3.984 50 0 EHAAMO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103778 213068329 /nfs/dbraw/zinc/06/83/29/213068329.db2.gz KRHRUQBSIQXEOA-SFHVURJKSA-N 1 1 347.430 3.616 50 0 EHAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000036031097 213056801 /nfs/dbraw/zinc/05/68/01/213056801.db2.gz HBBNZMBEYKKMQS-HXUWFJFHSA-N 1 1 327.468 3.955 50 0 EHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000035166907 213012292 /nfs/dbraw/zinc/01/22/92/213012292.db2.gz WSKXGBNAMBVZFM-PTNGSMBKSA-N 1 1 336.432 3.942 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000035052972 213005623 /nfs/dbraw/zinc/00/56/23/213005623.db2.gz SDCHXRFZDLZQFR-HKUYNNGSSA-N 1 1 325.452 3.968 50 0 EHAAMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 ZINC000032751339 212834716 /nfs/dbraw/zinc/83/47/16/212834716.db2.gz LJRXYRUGSFBOGF-FQEVSTJZSA-N 1 1 348.446 3.682 50 0 EHAAMO CCCn1ccnc1C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000072131900 216020035 /nfs/dbraw/zinc/02/00/35/216020035.db2.gz FCFJFXOFFFNCOC-INIZCTEOSA-N 1 1 337.471 3.624 50 0 EHAAMO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072146438 216034003 /nfs/dbraw/zinc/03/40/03/216034003.db2.gz YIYYGZCSNMHTRV-AWEZNQCLSA-N 1 1 346.368 3.725 50 0 EHAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072146438 216034005 /nfs/dbraw/zinc/03/40/05/216034005.db2.gz YIYYGZCSNMHTRV-AWEZNQCLSA-N 1 1 346.368 3.725 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H](Nc1cc(C)nc2ccnn21)c1ccccc1 ZINC000072421467 216210312 /nfs/dbraw/zinc/21/03/12/216210312.db2.gz JJQRKRDTWCZRSU-SFHVURJKSA-N 1 1 346.438 3.786 50 0 EHAAMO Cc1nc(CN2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)co1 ZINC000072436290 216231235 /nfs/dbraw/zinc/23/12/35/216231235.db2.gz MEBYCFMKGKMNQR-NRFANRHFSA-N 1 1 339.483 3.861 50 0 EHAAMO CCCn1cnc(NC(=O)c2ccc([C@H]3CCC[N@H+]3C(C)C)s2)n1 ZINC000023619346 212385887 /nfs/dbraw/zinc/38/58/87/212385887.db2.gz GYLAYTBFHCJJNM-CYBMUJFWSA-N 1 1 347.488 3.547 50 0 EHAAMO OCC[C@@H]1C[N@H+](C2CCCCCCC2)CCN1Cc1ccccc1 ZINC000023145533 212355512 /nfs/dbraw/zinc/35/55/12/212355512.db2.gz HPENFZOLAKXISO-OAQYLSRUSA-N 1 1 330.516 3.668 50 0 EHAAMO Cc1c2ccccc2oc1C[N@H+]1CCCN(Cc2ccccn2)CC1 ZINC000215731851 241139983 /nfs/dbraw/zinc/13/99/83/241139983.db2.gz ZFDWTZYHRHDJQA-UHFFFAOYSA-N 1 1 335.451 3.844 50 0 EHAAMO FC(F)Oc1ccccc1C[N@@H+](Cc1ccncc1)C[C@H]1CCCO1 ZINC000215817523 241148565 /nfs/dbraw/zinc/14/85/65/241148565.db2.gz YLNZHXREXDRGQP-QGZVFWFLSA-N 1 1 348.393 3.864 50 0 EHAAMO FC(F)Oc1ccccc1C[N@H+](Cc1ccncc1)C[C@H]1CCCO1 ZINC000215817523 241148571 /nfs/dbraw/zinc/14/85/71/241148571.db2.gz YLNZHXREXDRGQP-QGZVFWFLSA-N 1 1 348.393 3.864 50 0 EHAAMO Oc1cccc(C[N@H+](Cc2cnc(N3CCCC3)s2)C2CC2)c1 ZINC000215910173 241154319 /nfs/dbraw/zinc/15/43/19/241154319.db2.gz DPCMAWIZYBQSQJ-UHFFFAOYSA-N 1 1 329.469 3.614 50 0 EHAAMO Oc1cccc(C[N@@H+](Cc2cnc(N3CCCC3)s2)C2CC2)c1 ZINC000215910173 241154322 /nfs/dbraw/zinc/15/43/22/241154322.db2.gz DPCMAWIZYBQSQJ-UHFFFAOYSA-N 1 1 329.469 3.614 50 0 EHAAMO COc1cc2c(cc1C[N@H+]1CCN(C)[C@@H](c3ccccc3)C1)CCC2 ZINC000215529755 241131262 /nfs/dbraw/zinc/13/12/62/241131262.db2.gz FAWVUDNETSKOPX-OAQYLSRUSA-N 1 1 336.479 3.673 50 0 EHAAMO COc1cc2c(cc1CN1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000215529755 241131267 /nfs/dbraw/zinc/13/12/67/241131267.db2.gz FAWVUDNETSKOPX-OAQYLSRUSA-N 1 1 336.479 3.673 50 0 EHAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000215529755 241131270 /nfs/dbraw/zinc/13/12/70/241131270.db2.gz FAWVUDNETSKOPX-OAQYLSRUSA-N 1 1 336.479 3.673 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc1 ZINC000219118182 241365168 /nfs/dbraw/zinc/36/51/68/241365168.db2.gz VCMMMVWYTQJYEH-QFIPXVFZSA-N 1 1 347.462 3.679 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc1 ZINC000219118182 241365171 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50 0 EHAAMO COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000077516446 563970150 /nfs/dbraw/zinc/97/01/50/563970150.db2.gz VDGJVXROOXVNCZ-ZLQZBKBYSA-N 1 1 325.456 3.850 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](c2ccccc2C)C1 ZINC000082092511 563972109 /nfs/dbraw/zinc/97/21/09/563972109.db2.gz RCCJUUSBZHKDTL-SFHVURJKSA-N 1 1 325.456 3.686 50 0 EHAAMO CC(C)C[N@H+]1CCn2nc(CNc3nc4ccccc4s3)cc2C1 ZINC000082099104 563972226 /nfs/dbraw/zinc/97/22/26/563972226.db2.gz ULBJMHXHHCFVTC-UHFFFAOYSA-N 1 1 341.484 3.577 50 0 EHAAMO CCCc1cnc(C)nc1N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137463 563972624 /nfs/dbraw/zinc/97/26/24/563972624.db2.gz WBOPXLLLTXFBEO-SFHVURJKSA-N 1 1 339.487 3.728 50 0 EHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000011470897 563976306 /nfs/dbraw/zinc/97/63/06/563976306.db2.gz XNEZVCYXYIRWQC-APWZRJJASA-N 1 1 342.483 3.629 50 0 EHAAMO O=C1CCCN1CC[N@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095496911 563976995 /nfs/dbraw/zinc/97/69/95/563976995.db2.gz 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ZINC000107358499 564026911 /nfs/dbraw/zinc/02/69/11/564026911.db2.gz ZFQDKACNDCLRSY-GJZGRUSLSA-N 1 1 335.517 3.916 50 0 EHAAMO CC(C)c1nn(C)c(Cl)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048681920 564032049 /nfs/dbraw/zinc/03/20/49/564032049.db2.gz FYGKBFQIFVTGBN-INIZCTEOSA-N 1 1 346.906 3.561 50 0 EHAAMO CC(C)c1nn(C)c(Cl)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048681920 564032050 /nfs/dbraw/zinc/03/20/50/564032050.db2.gz FYGKBFQIFVTGBN-INIZCTEOSA-N 1 1 346.906 3.561 50 0 EHAAMO Cc1ccc(F)c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000225565330 564047849 /nfs/dbraw/zinc/04/78/49/564047849.db2.gz AUUYIHMWTVTASV-UHFFFAOYSA-N 1 1 328.387 3.521 50 0 EHAAMO CC(C)Cn1cncc1C[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244858661 564052317 /nfs/dbraw/zinc/05/23/17/564052317.db2.gz VPSYGXWTLDLUCK-UHFFFAOYSA-N 1 1 345.878 3.743 50 0 EHAAMO CC(C)Cn1cncc1C[N@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244858661 564052319 /nfs/dbraw/zinc/05/23/19/564052319.db2.gz VPSYGXWTLDLUCK-UHFFFAOYSA-N 1 1 345.878 3.743 50 0 EHAAMO CC(C)Cn1cncc1C[N@@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244858661 564052320 /nfs/dbraw/zinc/05/23/20/564052320.db2.gz VPSYGXWTLDLUCK-UHFFFAOYSA-N 1 1 345.878 3.743 50 0 EHAAMO CN(Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811462 564052329 /nfs/dbraw/zinc/05/23/29/564052329.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 1 1 338.499 3.631 50 0 EHAAMO CN(Cc1cc(C2CC2)[nH]n1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811462 564052330 /nfs/dbraw/zinc/05/23/30/564052330.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 1 1 338.499 3.631 50 0 EHAAMO CN(Cc1cc(C2CC2)[nH]n1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811462 564052331 /nfs/dbraw/zinc/05/23/31/564052331.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 1 1 338.499 3.631 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCc2ccccc21 ZINC000063492128 564057627 /nfs/dbraw/zinc/05/76/27/564057627.db2.gz DWAZYBOAAFGMJH-SFHVURJKSA-N 1 1 338.455 3.556 50 0 EHAAMO C[C@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccccc1Cl ZINC000019110553 564057802 /nfs/dbraw/zinc/05/78/02/564057802.db2.gz RSVMVEDLRXDQEY-JTQLQIEISA-N 1 1 346.843 3.634 50 0 EHAAMO CC(C)[NH+]1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533192 564058354 /nfs/dbraw/zinc/05/83/54/564058354.db2.gz XJFCNMZVHKKZRL-UHFFFAOYSA-N 1 1 348.494 3.988 50 0 EHAAMO Cc1cccnc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299755115 564060703 /nfs/dbraw/zinc/06/07/03/564060703.db2.gz ADUNCUROPYDPHR-TYPHKJRUSA-N 1 1 349.478 3.574 50 0 EHAAMO Cc1cc(C)cc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000053150360 564070572 /nfs/dbraw/zinc/07/05/72/564070572.db2.gz BVTICPDDFKQQKZ-UHFFFAOYSA-N 1 1 334.345 3.655 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1O ZINC000015837412 564076518 /nfs/dbraw/zinc/07/65/18/564076518.db2.gz WSJQLWWWWYQZIU-INIZCTEOSA-N 1 1 331.387 3.886 50 0 EHAAMO COc1ccc2cc(C[N@H+](C)[C@@H](C(N)=O)c3ccccc3)ccc2c1 ZINC000012903287 564077809 /nfs/dbraw/zinc/07/78/09/564077809.db2.gz HKLQTTJVHZDMMO-HXUWFJFHSA-N 1 1 334.419 3.507 50 0 EHAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C(N)=O)c3ccccc3)ccc2c1 ZINC000012903287 564077810 /nfs/dbraw/zinc/07/78/10/564077810.db2.gz HKLQTTJVHZDMMO-HXUWFJFHSA-N 1 1 334.419 3.507 50 0 EHAAMO Cc1cn2c(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)c(C)nc2s1 ZINC000091958841 564088810 /nfs/dbraw/zinc/08/88/10/564088810.db2.gz IJCMEEVLYUYNTH-ZBFHGGJFSA-N 1 1 345.468 3.694 50 0 EHAAMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000006548890 564091851 /nfs/dbraw/zinc/09/18/51/564091851.db2.gz GNJNXEGRCOFDPK-CYBMUJFWSA-N 1 1 334.366 3.747 50 0 EHAAMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000006548890 564091852 /nfs/dbraw/zinc/09/18/52/564091852.db2.gz GNJNXEGRCOFDPK-CYBMUJFWSA-N 1 1 334.366 3.747 50 0 EHAAMO CCc1nc(N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)no1 ZINC000426399358 564093593 /nfs/dbraw/zinc/09/35/93/564093593.db2.gz FZPFFUOWWLYCLN-FQEVSTJZSA-N 1 1 346.519 3.895 50 0 EHAAMO Cc1ccc(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c2cccnc12 ZINC000426430674 564093715 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CC[N@H+]1CCCN(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000065610064 564108280 /nfs/dbraw/zinc/10/82/80/564108280.db2.gz GFZOKYFDTXKQBG-UHFFFAOYSA-N 1 1 329.416 3.561 50 0 EHAAMO COc1cccc(NC(=O)C[N@@H+](C)Cc2cccc3ccccc32)c1 ZINC000007456921 564108677 /nfs/dbraw/zinc/10/86/77/564108677.db2.gz FDDRKLQNZULXLH-UHFFFAOYSA-N 1 1 334.419 3.919 50 0 EHAAMO Cc1csc(CNc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)n1 ZINC000089705635 564113231 /nfs/dbraw/zinc/11/32/31/564113231.db2.gz LDWHLPISLFWEJQ-GASCZTMLSA-N 1 1 331.485 3.673 50 0 EHAAMO COC(=O)c1ccc([C@H](C)[N@@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000089905010 564115049 /nfs/dbraw/zinc/11/50/49/564115049.db2.gz OKAYXLBMATWTGZ-LBPRGKRZSA-N 1 1 337.803 3.791 50 0 EHAAMO CC[N@@H+](CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000089960952 564115937 /nfs/dbraw/zinc/11/59/37/564115937.db2.gz BUEZTFJCDVISBH-KRWDZBQOSA-N 1 1 336.479 3.808 50 0 EHAAMO C[C@@H](Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000245586582 564117819 /nfs/dbraw/zinc/11/78/19/564117819.db2.gz DZEJNBNUJPUNMH-IXDOHACOSA-N 1 1 325.456 3.864 50 0 EHAAMO C[C@@H](Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000245586582 564117820 /nfs/dbraw/zinc/11/78/20/564117820.db2.gz DZEJNBNUJPUNMH-IXDOHACOSA-N 1 1 325.456 3.864 50 0 EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461629 564118711 /nfs/dbraw/zinc/11/87/11/564118711.db2.gz NDAWUPLIPPNPGL-TUGIDLRSSA-N 1 1 348.575 3.649 50 0 EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461629 564118712 /nfs/dbraw/zinc/11/87/12/564118712.db2.gz NDAWUPLIPPNPGL-TUGIDLRSSA-N 1 1 348.575 3.649 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1ccsc1 ZINC000252511725 564120113 /nfs/dbraw/zinc/12/01/13/564120113.db2.gz KCLQVFQRRTZEIZ-UCLAIMLFSA-N 1 1 340.492 3.995 50 0 EHAAMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1F ZINC000007788649 564123293 /nfs/dbraw/zinc/12/32/93/564123293.db2.gz WNTSUALTBQBNSQ-UHFFFAOYSA-N 1 1 330.378 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CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055360068 214311611 /nfs/dbraw/zinc/31/16/11/214311611.db2.gz UGQVILPQHXJEBL-CQSZACIVSA-N 1 1 328.412 3.620 50 0 EHAAMO CC(C)n1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000055401387 214318489 /nfs/dbraw/zinc/31/84/89/214318489.db2.gz SPPUJGYDMBFAGR-LJQANCHMSA-N 1 1 331.435 3.784 50 0 EHAAMO CC(C)n1cc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000055401387 214318493 /nfs/dbraw/zinc/31/84/93/214318493.db2.gz SPPUJGYDMBFAGR-LJQANCHMSA-N 1 1 331.435 3.784 50 0 EHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2sccc2C)N3)C1 ZINC000004556405 210220373 /nfs/dbraw/zinc/22/03/73/210220373.db2.gz JSYZUKXDGDEWIW-CQSZACIVSA-N 1 1 333.482 3.925 50 0 EHAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](CC)Cc2ccccc2)cc1 ZINC000004320422 210170913 /nfs/dbraw/zinc/17/09/13/210170913.db2.gz ALMAYIPNCBOXGW-LJQANCHMSA-N 1 1 341.451 3.541 50 0 EHAAMO CCCC[N@H+]1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000003894364 210084724 /nfs/dbraw/zinc/08/47/24/210084724.db2.gz 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3.672 50 0 EHAAMO C[C@@H](CNC(=S)Nc1ccc(F)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000036847538 213123215 /nfs/dbraw/zinc/12/32/15/213123215.db2.gz SBQVETZUMQYRSH-RYUDHWBXSA-N 1 1 327.444 3.514 50 0 EHAAMO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C2CC2)cc1 ZINC000036101876 213067601 /nfs/dbraw/zinc/06/76/01/213067601.db2.gz KDJKSVJWOIQASZ-FQEVSTJZSA-N 1 1 325.452 3.708 50 0 EHAAMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036102550 213067507 /nfs/dbraw/zinc/06/75/07/213067507.db2.gz LWJCZRZOWHFCJC-HXUWFJFHSA-N 1 1 331.431 3.614 50 0 EHAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000036103085 213067190 /nfs/dbraw/zinc/06/71/90/213067190.db2.gz DYSMTKSLBBGUQY-SFHVURJKSA-N 1 1 331.431 3.784 50 0 EHAAMO CC(C)C[N@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccccc1 ZINC000036099621 213065011 /nfs/dbraw/zinc/06/50/11/213065011.db2.gz LXDYAXIPODNLGK-SFHVURJKSA-N 1 1 349.421 3.863 50 0 EHAAMO CC[C@H](C)[N@H+](Cc1ccsc1)C[C@H](O)COCc1ccccc1 ZINC000036099377 213065271 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O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000072311987 216148027 /nfs/dbraw/zinc/14/80/27/216148027.db2.gz VMBHSWSBRUCKDX-OAHLLOKOSA-N 1 1 346.377 3.544 50 0 EHAAMO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000072311987 216148030 /nfs/dbraw/zinc/14/80/30/216148030.db2.gz VMBHSWSBRUCKDX-OAHLLOKOSA-N 1 1 346.377 3.544 50 0 EHAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072432047 216225133 /nfs/dbraw/zinc/22/51/33/216225133.db2.gz QMXQDBYRDYLBOW-MRXNPFEDSA-N 1 1 345.450 3.899 50 0 EHAAMO Cc1[nH+]c(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072432047 216225136 /nfs/dbraw/zinc/22/51/36/216225136.db2.gz QMXQDBYRDYLBOW-MRXNPFEDSA-N 1 1 345.450 3.899 50 0 EHAAMO Cc1cc2nc(C)cc(NCCCc3[nH]c4ccc(C)c(C)c4[nH+]3)n2n1 ZINC000072476674 216254858 /nfs/dbraw/zinc/25/48/58/216254858.db2.gz LUJHHAHZIDEXPN-UHFFFAOYSA-N 1 1 348.454 3.884 50 0 EHAAMO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+](C)C/C=C/c2ccccc2)n1 ZINC000023232122 212361901 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CC[C@@H](C)c1ccc(NC(=O)C[N@H+](C)CCC2(O)CCCC2)cc1 ZINC000243893730 243029946 /nfs/dbraw/zinc/02/99/46/243029946.db2.gz ATIXJFCQRRPSOF-MRXNPFEDSA-N 1 1 332.488 3.766 50 0 EHAAMO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)CCC2(O)CCCC2)cc1 ZINC000243893730 243029948 /nfs/dbraw/zinc/02/99/48/243029948.db2.gz ATIXJFCQRRPSOF-MRXNPFEDSA-N 1 1 332.488 3.766 50 0 EHAAMO C[N@H+]1CCC[C@H]1c1ccc(C(=O)N2CCc3ccccc3C2)s1 ZINC000020784707 212172326 /nfs/dbraw/zinc/17/23/26/212172326.db2.gz KHCKBYRTWIINSU-INIZCTEOSA-N 1 1 326.465 3.713 50 0 EHAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000020813943 212173525 /nfs/dbraw/zinc/17/35/25/212173525.db2.gz MTYIEUIIVJKQPE-ZDUSSCGKSA-N 1 1 334.366 3.920 50 0 EHAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000020813943 212173526 /nfs/dbraw/zinc/17/35/26/212173526.db2.gz MTYIEUIIVJKQPE-ZDUSSCGKSA-N 1 1 334.366 3.920 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@H](c1cc(F)ccc1F)[NH2+]CC2 ZINC000020506918 212141681 /nfs/dbraw/zinc/14/16/81/212141681.db2.gz CNLIOFZZPZYEKT-LJQANCHMSA-N 1 1 333.378 3.997 50 0 EHAAMO C[N@@H+](Cc1ccoc1)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000020449162 212129647 /nfs/dbraw/zinc/12/96/47/212129647.db2.gz IDWLVRCMSPKYJJ-UHFFFAOYSA-N 1 1 349.434 3.541 50 0 EHAAMO CSc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019842638 212075790 /nfs/dbraw/zinc/07/57/90/212075790.db2.gz FEOPHKIAPXXDQZ-UHFFFAOYSA-N 1 1 342.533 3.902 50 0 EHAAMO COc1cc2c(cc1Cn1cc[nH+]c1[C@@H]1CC=CCC1)OCCO2 ZINC000077469911 216912280 /nfs/dbraw/zinc/91/22/80/216912280.db2.gz WHJMQQRUBGWKQD-CQSZACIVSA-N 1 1 326.396 3.535 50 0 EHAAMO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019798520 212069910 /nfs/dbraw/zinc/06/99/10/212069910.db2.gz OPKLBKQUDBMWRN-UHFFFAOYSA-N 1 1 339.508 3.818 50 0 EHAAMO COc1ccccc1-c1n[nH]c2c1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC000019790845 212067359 /nfs/dbraw/zinc/06/73/59/212067359.db2.gz JSYHVEIWFWCRKC-XHSDSOJGSA-N 1 1 335.451 3.656 50 0 EHAAMO CCOc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019537352 212041270 /nfs/dbraw/zinc/04/12/70/212041270.db2.gz ANTJDYKAPLNMOW-RMKNXTFCSA-N 1 1 336.479 3.916 50 0 EHAAMO CCOc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019537352 212041274 /nfs/dbraw/zinc/04/12/74/212041274.db2.gz ANTJDYKAPLNMOW-RMKNXTFCSA-N 1 1 336.479 3.916 50 0 EHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000019299831 212012833 /nfs/dbraw/zinc/01/28/33/212012833.db2.gz LGQTUABIURCMID-AWEZNQCLSA-N 1 1 345.464 3.589 50 0 EHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000019299831 212012834 /nfs/dbraw/zinc/01/28/34/212012834.db2.gz LGQTUABIURCMID-AWEZNQCLSA-N 1 1 345.464 3.589 50 0 EHAAMO Fc1ccccc1C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000015078936 211800305 /nfs/dbraw/zinc/80/03/05/211800305.db2.gz LRCACHYTAQVGHF-INIZCTEOSA-N 1 1 328.387 3.631 50 0 EHAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+](CCO)Cc1ccccc1 ZINC000012458163 211388386 /nfs/dbraw/zinc/38/83/86/211388386.db2.gz LALXITQKQKWMRX-UHFFFAOYSA-N 1 1 336.435 3.953 50 0 EHAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+](CCO)Cc1ccccc1 ZINC000012458163 211388387 /nfs/dbraw/zinc/38/83/87/211388387.db2.gz LALXITQKQKWMRX-UHFFFAOYSA-N 1 1 336.435 3.953 50 0 EHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3CCO)c(C)o2)ccc1F ZINC000012297732 211334488 /nfs/dbraw/zinc/33/44/88/211334488.db2.gz QWRPIYYHCZPIHP-OAHLLOKOSA-N 1 1 348.418 3.535 50 0 EHAAMO O=C(CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1)NC1CC1 ZINC000012304340 211338971 /nfs/dbraw/zinc/33/89/71/211338971.db2.gz NFXRWSPDBBWNES-XKKXFUJGSA-N 1 1 330.447 3.610 50 0 EHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)c(C)c1C ZINC000012030563 211281727 /nfs/dbraw/zinc/28/17/27/211281727.db2.gz FMTMQOKJMLQFKS-INIZCTEOSA-N 1 1 344.455 3.886 50 0 EHAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)c(C)c1C ZINC000012030563 211281730 /nfs/dbraw/zinc/28/17/30/211281730.db2.gz FMTMQOKJMLQFKS-INIZCTEOSA-N 1 1 344.455 3.886 50 0 EHAAMO O=C(Nc1ccccc1)NC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000091458426 218008621 /nfs/dbraw/zinc/00/86/21/218008621.db2.gz HUSZEMWBLBPLOS-UHFFFAOYSA-N 1 1 330.819 3.526 50 0 EHAAMO COCC[C@]1(O)CC[N@@H+](Cc2c(C)sc3ccccc32)C[C@H]1C ZINC000091476693 218012209 /nfs/dbraw/zinc/01/22/09/218012209.db2.gz QRXILXVONSTFQI-AUUYWEPGSA-N 1 1 333.497 3.819 50 0 EHAAMO OCc1ccc(C[N@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000011873126 211261648 /nfs/dbraw/zinc/26/16/48/211261648.db2.gz LXCMFSSPPVNOKP-OAHLLOKOSA-N 1 1 335.394 3.895 50 0 EHAAMO CC(C)[N@H+]1CC[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000011844088 211255813 /nfs/dbraw/zinc/25/58/13/211255813.db2.gz UEBJHPRHGPDLLI-AWEZNQCLSA-N 1 1 348.878 3.552 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc2cnccc21 ZINC000091595690 218029696 /nfs/dbraw/zinc/02/96/96/218029696.db2.gz IRKIMABYIIJZQS-GOSISDBHSA-N 1 1 348.450 3.825 50 0 EHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)NCc1ccc(Cl)cc1 ZINC000010310917 211161069 /nfs/dbraw/zinc/16/10/69/211161069.db2.gz CEELGFYRSOZWNC-SFHVURJKSA-N 1 1 328.843 3.793 50 0 EHAAMO C[N@@H+](CCCNc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000009726819 211119768 /nfs/dbraw/zinc/11/97/68/211119768.db2.gz CGVMNMHVZAVXDU-UHFFFAOYSA-N 1 1 332.423 3.942 50 0 EHAAMO CC1CC[NH+](CC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000009096041 211038784 /nfs/dbraw/zinc/03/87/84/211038784.db2.gz MEAXMTDCTPQQEL-UHFFFAOYSA-N 1 1 345.668 3.773 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000095361840 218294718 /nfs/dbraw/zinc/29/47/18/218294718.db2.gz LPGRRBPYCBXCER-CQSZACIVSA-N 1 1 329.271 3.874 50 0 EHAAMO COC1CC[NH+](CC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000008923524 211019055 /nfs/dbraw/zinc/01/90/55/211019055.db2.gz ZZRNFVGAVJYZJI-UHFFFAOYSA-N 1 1 338.407 3.635 50 0 EHAAMO CCCCN(Cc1ccncc1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095376166 218308736 /nfs/dbraw/zinc/30/87/36/218308736.db2.gz CQTRNLYHBDUPNM-LJQANCHMSA-N 1 1 343.446 3.652 50 0 EHAAMO CC(C)[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1nnc2ccccn21 ZINC000095415444 218353677 /nfs/dbraw/zinc/35/36/77/218353677.db2.gz WGEGCFBCSQQXDQ-MRXNPFEDSA-N 1 1 341.484 3.940 50 0 EHAAMO COc1ccc(Oc2ccc(C[NH2+][C@@H](C)c3cnccn3)cn2)cc1 ZINC000095420385 218360645 /nfs/dbraw/zinc/36/06/45/218360645.db2.gz VAKHKCNVWPNVIK-AWEZNQCLSA-N 1 1 336.395 3.523 50 0 EHAAMO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc(Cl)o1 ZINC000097402549 219021953 /nfs/dbraw/zinc/02/19/53/219021953.db2.gz DQBGNXJIPGWNHI-CQSZACIVSA-N 1 1 336.794 3.639 50 0 EHAAMO Cc1ocnc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299796122 258100278 /nfs/dbraw/zinc/10/02/78/258100278.db2.gz NIJYNSODRYSDSN-XHSDSOJGSA-N 1 1 336.395 3.726 50 0 EHAAMO c1ccc([C@@H]2C[C@H](c3noc(Cc4cccnc4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299759900 258077290 /nfs/dbraw/zinc/07/72/90/258077290.db2.gz OOVRYDSQVWTPQM-OTWHNJEPSA-N 1 1 346.434 3.748 50 0 EHAAMO O=C(O[C@@H](C[NH+]1CCCCC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000001395966 563386443 /nfs/dbraw/zinc/38/64/43/563386443.db2.gz HEIDWQFZKAHOCT-ZDUSSCGKSA-N 1 1 335.753 3.914 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1OC ZINC000012580107 563663888 /nfs/dbraw/zinc/66/38/88/563663888.db2.gz SILBCKPSPJCXRC-GOSISDBHSA-N 1 1 344.430 3.919 50 0 EHAAMO COc1ccccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000012589614 563664159 /nfs/dbraw/zinc/66/41/59/563664159.db2.gz OBKUKJBALNTCQC-JOCHJYFZSA-N 1 1 339.479 3.821 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)c1 ZINC000012597478 563665062 /nfs/dbraw/zinc/66/50/62/563665062.db2.gz JNFVETBZQSKZGV-JOCHJYFZSA-N 1 1 339.479 3.821 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 ZINC000012759332 563670089 /nfs/dbraw/zinc/67/00/89/563670089.db2.gz CAGJMSPGJVCJNG-INIZCTEOSA-N 1 1 345.874 3.960 50 0 EHAAMO CCc1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012796066 563672753 /nfs/dbraw/zinc/67/27/53/563672753.db2.gz PSHGEDBGYRSDAE-FQEVSTJZSA-N 1 1 340.442 3.840 50 0 EHAAMO CCc1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012796066 563672754 /nfs/dbraw/zinc/67/27/54/563672754.db2.gz PSHGEDBGYRSDAE-FQEVSTJZSA-N 1 1 340.442 3.840 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000013041376 563686381 /nfs/dbraw/zinc/68/63/81/563686381.db2.gz DSYBGVBTDRVMLV-TXEJJXNPSA-N 1 1 329.271 3.588 50 0 EHAAMO Brc1ccc(-c2nnc(C[NH+]3CCCCC3)o2)s1 ZINC000032774118 563731378 /nfs/dbraw/zinc/73/13/78/563731378.db2.gz HTNJSEGYTPWMMY-UHFFFAOYSA-N 1 1 328.235 3.547 50 0 EHAAMO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000014138795 563744490 /nfs/dbraw/zinc/74/44/90/563744490.db2.gz CDIRVUAIUJNDQQ-QGZVFWFLSA-N 1 1 348.368 3.815 50 0 EHAAMO COC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000014948758 563767651 /nfs/dbraw/zinc/76/76/51/563767651.db2.gz REOCHOTYKSLWRJ-UHFFFAOYSA-N 1 1 348.830 3.688 50 0 EHAAMO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000015064285 563774681 /nfs/dbraw/zinc/77/46/81/563774681.db2.gz SKYWRNSLUJCSFD-LJQANCHMSA-N 1 1 340.467 3.676 50 0 EHAAMO COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000015461049 563784905 /nfs/dbraw/zinc/78/49/05/563784905.db2.gz UAZQKAHIRXQEGM-CQSZACIVSA-N 1 1 335.407 3.865 50 0 EHAAMO COc1ccc(-c2nnc([C@@H](C)[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000015461049 563784908 /nfs/dbraw/zinc/78/49/08/563784908.db2.gz UAZQKAHIRXQEGM-CQSZACIVSA-N 1 1 335.407 3.865 50 0 EHAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)NCc1ccc(Cl)cc1 ZINC000015519402 563786150 /nfs/dbraw/zinc/78/61/50/563786150.db2.gz QTHFOAPOSZXULT-UHFFFAOYSA-N 1 1 346.833 3.760 50 0 EHAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)NCc1ccc(Cl)cc1 ZINC000015519402 563786151 /nfs/dbraw/zinc/78/61/51/563786151.db2.gz QTHFOAPOSZXULT-UHFFFAOYSA-N 1 1 346.833 3.760 50 0 EHAAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016346534 563809410 /nfs/dbraw/zinc/80/94/10/563809410.db2.gz MVVPLCOKTSAVMW-ZIUDEIKKSA-N 1 1 346.540 3.962 50 0 EHAAMO O=C(Nc1ccccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000017071785 563834958 /nfs/dbraw/zinc/83/49/58/563834958.db2.gz ZUDOSGPAHPUCOZ-UHFFFAOYSA-N 1 1 343.858 3.732 50 0 EHAAMO Cc1ccc(-c2ccc(N3CCC([N@H+]4CC[C@@H](C[NH3+])C4)CC3)cc2)cc1 ZINC000020207545 563858780 /nfs/dbraw/zinc/85/87/80/563858780.db2.gz JHFHGTCVKBWSEH-IBGZPJMESA-N 1 1 349.522 3.911 50 0 EHAAMO CCCO[C@H]1CCC[N@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000032541608 563913904 /nfs/dbraw/zinc/91/39/04/563913904.db2.gz SCSJYCAIJHKQFO-KRWDZBQOSA-N 1 1 338.442 3.825 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000032590382 563914008 /nfs/dbraw/zinc/91/40/08/563914008.db2.gz ZZRCAQFRSBSYLJ-GFCCVEGCSA-N 1 1 340.254 3.578 50 0 EHAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)CCc1ccc(O)cc1)CC2 ZINC000023282513 563919410 /nfs/dbraw/zinc/91/94/10/563919410.db2.gz FRJHNKLYKZVVNQ-HNNXBMFYSA-N 1 1 341.451 3.789 50 0 EHAAMO O[C@H](COCc1cccs1)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000057992786 563936261 /nfs/dbraw/zinc/93/62/61/563936261.db2.gz RPOMHHYLUHXVNV-WMZOPIPTSA-N 1 1 335.444 3.602 50 0 EHAAMO CSc1ccccc1NC(=O)CC[N@@H+](Cc1ccco1)C1CC1 ZINC000058162411 563938495 /nfs/dbraw/zinc/93/84/95/563938495.db2.gz YFFQFAWNHNGNKE-UHFFFAOYSA-N 1 1 330.453 3.995 50 0 EHAAMO CCSCc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000096435254 563952387 /nfs/dbraw/zinc/95/23/87/563952387.db2.gz BLJKGNARQXHVKU-INIZCTEOSA-N 1 1 335.517 3.745 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3ccco3)ccc2F)C1 ZINC000096453149 563953744 /nfs/dbraw/zinc/95/37/44/563953744.db2.gz LWVIZIQUXMUFQU-CQSZACIVSA-N 1 1 345.418 3.891 50 0 EHAAMO c1sc(N2CCC[N@H+](C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000096462058 563954192 /nfs/dbraw/zinc/95/41/92/563954192.db2.gz LJNXXNVBAIVEDK-UHFFFAOYSA-N 1 1 343.496 3.501 50 0 EHAAMO c1nn(Cc2ccccc2)cc1C1=CC[N@@H+](CCc2ccccn2)CC1 ZINC000065394111 563959518 /nfs/dbraw/zinc/95/95/18/563959518.db2.gz NKLWICZWTUBFQD-UHFFFAOYSA-N 1 1 344.462 3.658 50 0 EHAAMO CCc1[nH]c2ccc(CNC(=O)CCCn3cc[nH+]c3C)cc2c1C ZINC000071747308 563965016 /nfs/dbraw/zinc/96/50/16/563965016.db2.gz RNHQADVAIPGEJO-UHFFFAOYSA-N 1 1 338.455 3.640 50 0 EHAAMO CC[C@]1(O)CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071765265 563965547 /nfs/dbraw/zinc/96/55/47/563965547.db2.gz QGCBSTQCPSEEBO-IBGZPJMESA-N 1 1 348.418 3.535 50 0 EHAAMO C[C@@H]1C[N@H+](CCCCOc2ccccc2Br)C[C@H](C)O1 ZINC000016247313 563976203 /nfs/dbraw/zinc/97/62/03/563976203.db2.gz FIPKWASTKUDGBW-OKILXGFUSA-N 1 1 342.277 3.717 50 0 EHAAMO Cc1nc(C[C@H](C)n2cc[nH+]c2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000096133534 563979422 /nfs/dbraw/zinc/97/94/22/563979422.db2.gz YUNVZTPFQGHUBR-NSHDSACASA-N 1 1 349.360 3.903 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3CC[C@](O)(c4ccccc4)C3)cn2)c1 ZINC000097173023 563981321 /nfs/dbraw/zinc/98/13/21/563981321.db2.gz PIYHTYWGSWMEAR-JOCHJYFZSA-N 1 1 345.446 3.546 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)C1 ZINC000247831526 563983056 /nfs/dbraw/zinc/98/30/56/563983056.db2.gz LNEWLEVAAXETEU-OAGGEKHMSA-N 1 1 343.496 3.783 50 0 EHAAMO COc1ccc(C(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000000187922 563988001 /nfs/dbraw/zinc/98/80/01/563988001.db2.gz LUVSHTKOFJYPMP-SFHVURJKSA-N 1 1 339.435 3.766 50 0 biogenic EHAAMO Cc1ccc(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466241 563998215 /nfs/dbraw/zinc/99/82/15/563998215.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 1 1 328.460 3.610 50 0 EHAAMO COc1ccccc1C(=O)N1CCC(Cn2cc[nH+]c2C(C)C)CC1 ZINC000062017632 564002752 /nfs/dbraw/zinc/00/27/52/564002752.db2.gz URZJIFXBKHHTKC-UHFFFAOYSA-N 1 1 341.455 3.568 50 0 EHAAMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104702260 564023979 /nfs/dbraw/zinc/02/39/79/564023979.db2.gz DXVLMCZBRNKDFU-FQEVSTJZSA-N 1 1 347.466 3.910 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047038645 564025677 /nfs/dbraw/zinc/02/56/77/564025677.db2.gz LDYAAIHAQWIREY-OKILXGFUSA-N 1 1 340.870 3.967 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccsc1)N1CCc2ccccc21 ZINC000048236508 564030171 /nfs/dbraw/zinc/03/01/71/564030171.db2.gz BKONWJFEFYRXOJ-KRWDZBQOSA-N 1 1 326.465 3.864 50 0 EHAAMO CC[C@]1(O)C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@H]1CC(C)C ZINC000212600125 564033240 /nfs/dbraw/zinc/03/32/40/564033240.db2.gz TUNMGCULOKMBNJ-MMOPVJDHSA-N 1 1 347.499 3.810 50 0 EHAAMO CC(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000819259 564035240 /nfs/dbraw/zinc/03/52/40/564035240.db2.gz TVLXUVZWDNXXOX-UHFFFAOYSA-N 1 1 329.271 3.730 50 0 EHAAMO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)sc1C ZINC000032429445 564036052 /nfs/dbraw/zinc/03/60/52/564036052.db2.gz SIGLDTUPMHZFAW-LBPRGKRZSA-N 1 1 334.510 3.603 50 0 EHAAMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)sc1C ZINC000032429445 564036053 /nfs/dbraw/zinc/03/60/53/564036053.db2.gz SIGLDTUPMHZFAW-LBPRGKRZSA-N 1 1 334.510 3.603 50 0 EHAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H](C)CC(C)C)CC2)cc1 ZINC000225627275 564048639 /nfs/dbraw/zinc/04/86/39/564048639.db2.gz CJOOAAHVTPUKAP-KRWDZBQOSA-N 1 1 332.488 3.525 50 0 EHAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H](C)CC(C)C)CC2)cc1 ZINC000225627240 564048642 /nfs/dbraw/zinc/04/86/42/564048642.db2.gz CJOOAAHVTPUKAP-QGZVFWFLSA-N 1 1 332.488 3.525 50 0 EHAAMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1csc(C[NH3+])n1 ZINC000237393954 564051479 /nfs/dbraw/zinc/05/14/79/564051479.db2.gz YKJWVKRUZLGFCS-MNOVXSKESA-N 1 1 337.876 3.519 50 0 EHAAMO CCC[N@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@H]1CCCO1 ZINC000252482214 564053367 /nfs/dbraw/zinc/05/33/67/564053367.db2.gz DASQVANFMUALIQ-QGZVFWFLSA-N 1 1 339.435 3.901 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(C)s2)C2CCCC2)no1 ZINC000252482332 564053371 /nfs/dbraw/zinc/05/33/71/564053371.db2.gz DDBYBQBTAXVMIF-UHFFFAOYSA-N 1 1 333.457 3.736 50 0 EHAAMO CC(C)c1[nH+]ccn1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000185025938 564072258 /nfs/dbraw/zinc/07/22/58/564072258.db2.gz BZSWILRLXCGGRP-CYBMUJFWSA-N 1 1 327.197 3.642 50 0 EHAAMO Clc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000039202320 564076175 /nfs/dbraw/zinc/07/61/75/564076175.db2.gz JLPDMYWPJMERHV-UHFFFAOYSA-N 1 1 330.859 3.537 50 0 EHAAMO Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)o1 ZINC000015860154 564076917 /nfs/dbraw/zinc/07/69/17/564076917.db2.gz JQGXOGYSUJDUKU-FAKMSMKASA-N 1 1 330.472 3.523 50 0 EHAAMO Cc1cc2occ(CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2cc1C ZINC000012927673 564078608 /nfs/dbraw/zinc/07/86/08/564078608.db2.gz PLDDWMTYTYHLCY-QGZVFWFLSA-N 1 1 342.483 3.973 50 0 EHAAMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000092138805 564088829 /nfs/dbraw/zinc/08/88/29/564088829.db2.gz HHGVACGMAFAVDY-GJZGRUSLSA-N 1 1 348.487 3.678 50 0 EHAAMO C[C@@H](NC(=O)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000064818047 564096493 /nfs/dbraw/zinc/09/64/93/564096493.db2.gz ZDOBBRSYXRTGJP-MRXNPFEDSA-N 1 1 338.426 3.835 50 0 EHAAMO CCCC[N@@H+](C)CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000006809353 564098414 /nfs/dbraw/zinc/09/84/14/564098414.db2.gz LUVLMUBKZNRDHZ-UHFFFAOYSA-N 1 1 346.862 3.653 50 0 EHAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c(C)c1 ZINC000007039267 564103531 /nfs/dbraw/zinc/10/35/31/564103531.db2.gz OVPQRYMCRLJXHT-GOSISDBHSA-N 1 1 325.456 3.726 50 0 EHAAMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c(C)c1 ZINC000007039267 564103532 /nfs/dbraw/zinc/10/35/32/564103532.db2.gz OVPQRYMCRLJXHT-GOSISDBHSA-N 1 1 325.456 3.726 50 0 EHAAMO c1csc(C[N@@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287788 564104299 /nfs/dbraw/zinc/10/42/99/564104299.db2.gz OYWXYPFKMUADMW-QGZVFWFLSA-N 1 1 338.480 3.768 50 0 EHAAMO C[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc2ccccc2c1 ZINC000007518799 564109566 /nfs/dbraw/zinc/10/95/66/564109566.db2.gz DCRYJPZLLJDVSC-UHFFFAOYSA-N 1 1 336.410 3.727 50 0 EHAAMO C[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc2ccccc2c1 ZINC000007518799 564109567 /nfs/dbraw/zinc/10/95/67/564109567.db2.gz DCRYJPZLLJDVSC-UHFFFAOYSA-N 1 1 336.410 3.727 50 0 EHAAMO Cc1noc(C)c1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249713186 564111715 /nfs/dbraw/zinc/11/17/15/564111715.db2.gz GINWVIOHUJNLMK-HZPDHXFCSA-N 1 1 341.238 3.688 50 0 EHAAMO Cc1noc(C)c1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249713186 564111716 /nfs/dbraw/zinc/11/17/16/564111716.db2.gz GINWVIOHUJNLMK-HZPDHXFCSA-N 1 1 341.238 3.688 50 0 EHAAMO Cc1nccn1C[C@@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000089735521 564113428 /nfs/dbraw/zinc/11/34/28/564113428.db2.gz ZZXZRPQNXIORCY-ZDUSSCGKSA-N 1 1 336.277 3.722 50 0 EHAAMO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089967564 564115896 /nfs/dbraw/zinc/11/58/96/564115896.db2.gz PVTSFMDPPYGSLI-HNNXBMFYSA-N 1 1 325.456 3.514 50 0 EHAAMO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089967562 564115918 /nfs/dbraw/zinc/11/59/18/564115918.db2.gz PVTSFMDPPYGSLI-OAHLLOKOSA-N 1 1 325.456 3.514 50 0 EHAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccc(Br)cc2)C1 ZINC000002822069 564116938 /nfs/dbraw/zinc/11/69/38/564116938.db2.gz CRDTXVYLNIOFSH-AWEZNQCLSA-N 1 1 342.277 3.576 50 0 EHAAMO c1csc([C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)c2ncc[nH]2)c1 ZINC000195102975 564122813 /nfs/dbraw/zinc/12/28/13/564122813.db2.gz CQTGKKOIOLLYBR-HOCLYGCPSA-N 1 1 347.484 3.616 50 0 EHAAMO Cc1nnc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000253418424 564130916 /nfs/dbraw/zinc/13/09/16/564130916.db2.gz LMVJKAJVIHCLDB-LBPRGKRZSA-N 1 1 334.514 3.561 50 0 EHAAMO Cc1nnc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000253418424 564130917 /nfs/dbraw/zinc/13/09/17/564130917.db2.gz LMVJKAJVIHCLDB-LBPRGKRZSA-N 1 1 334.514 3.561 50 0 EHAAMO Cc1c[nH]c([C@@H](C)n2cnc3sc(-c4ccccc4)cc3c2=O)[nH+]1 ZINC000584885657 564131501 /nfs/dbraw/zinc/13/15/01/564131501.db2.gz PFHIHNYZJJTMJR-GFCCVEGCSA-N 1 1 336.420 3.766 50 0 EHAAMO COCC[C@@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000079072633 564137832 /nfs/dbraw/zinc/13/78/32/564137832.db2.gz GAOHGKRBPGVNKH-LJQANCHMSA-N 1 1 338.495 3.819 50 0 EHAAMO CC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3OCCc4ccccc43)c2C1 ZINC000095464968 564140982 /nfs/dbraw/zinc/14/09/82/564140982.db2.gz ZULJACQBRDVHSS-HXUWFJFHSA-N 1 1 336.435 3.665 50 0 EHAAMO CC[N@H+]1Cc2cccc(NC(=O)C[C@H]3OCCc4ccccc43)c2C1 ZINC000095464968 564140983 /nfs/dbraw/zinc/14/09/83/564140983.db2.gz ZULJACQBRDVHSS-HXUWFJFHSA-N 1 1 336.435 3.665 50 0 EHAAMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C ZINC000095969151 564143310 /nfs/dbraw/zinc/14/33/10/564143310.db2.gz SDSOYZOXYZYYSH-ZDUSSCGKSA-N 1 1 339.443 3.539 50 0 EHAAMO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000096003589 564144461 /nfs/dbraw/zinc/14/44/61/564144461.db2.gz URZHKDCKLZBCFC-IAGOWNOFSA-N 1 1 327.472 3.589 50 0 EHAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1(c2cccs2)CCCCC1 ZINC000096414311 564147694 /nfs/dbraw/zinc/14/76/94/564147694.db2.gz QDQNIZDUFYKKRA-HNNXBMFYSA-N 1 1 332.513 3.551 50 0 EHAAMO C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000002637176 564151605 /nfs/dbraw/zinc/15/16/05/564151605.db2.gz UBBCPJDBQBGVJN-UHFFFAOYSA-N 1 1 336.479 3.600 50 0 EHAAMO C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000002637176 564151606 /nfs/dbraw/zinc/15/16/06/564151606.db2.gz UBBCPJDBQBGVJN-UHFFFAOYSA-N 1 1 336.479 3.600 50 0 EHAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1Br ZINC000003110201 564155232 /nfs/dbraw/zinc/15/52/32/564155232.db2.gz QSDQJAHYOYPJMH-UHFFFAOYSA-N 1 1 335.245 3.527 50 0 EHAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000031338047 564159329 /nfs/dbraw/zinc/15/93/29/564159329.db2.gz SUYXCLAKOPPVGX-UHFFFAOYSA-N 1 1 349.261 3.782 50 0 EHAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000031338047 564159330 /nfs/dbraw/zinc/15/93/30/564159330.db2.gz SUYXCLAKOPPVGX-UHFFFAOYSA-N 1 1 349.261 3.782 50 0 EHAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@H](c4ccncn4)C3)CC2)cc1 ZINC000670450083 564159394 /nfs/dbraw/zinc/15/93/94/564159394.db2.gz SMVYXGIJLHWNFZ-SFHVURJKSA-N 1 1 336.483 3.633 50 0 EHAAMO c1ccc2oc([C@@H]3CCC[N@@H+](C4CSCCSC4)C3)nc2c1 ZINC000670465977 564162371 /nfs/dbraw/zinc/16/23/71/564162371.db2.gz BZHIKALLQQEBEP-CYBMUJFWSA-N 1 1 334.510 3.856 50 0 EHAAMO Cc1ccc2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)n2c1 ZINC000008126263 564162857 /nfs/dbraw/zinc/16/28/57/564162857.db2.gz ZFCVMDBBXZKKLA-LJQANCHMSA-N 1 1 333.435 3.512 50 0 EHAAMO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737740 564171785 /nfs/dbraw/zinc/17/17/85/564171785.db2.gz 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564177571 /nfs/dbraw/zinc/17/75/71/564177571.db2.gz DRQLIQBPNTYPBF-WKILWMFISA-N 1 1 346.858 3.746 50 0 EHAAMO OCC1([C@@H]([NH2+]Cc2ncccc2Cl)c2ccccc2)CC=CC1 ZINC000528536916 564177585 /nfs/dbraw/zinc/17/75/85/564177585.db2.gz IOJUXNZUTABUIV-SFHVURJKSA-N 1 1 328.843 3.895 50 0 EHAAMO CC(C)CC[N@H+]1CCC[C@@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169765258 1032622082 /nfs/dbraw/zinc/62/20/82/1032622082.db2.gz KXQCLPARRBQCPB-QGZVFWFLSA-N 1 1 344.499 3.716 50 0 EHAAMO CC(C)NC(=O)N1CCC2(C[N@@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257190625 1032784890 /nfs/dbraw/zinc/78/48/90/1032784890.db2.gz NDOXHOCNTJEWOF-GOSISDBHSA-N 1 1 329.488 3.652 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)Nc3ccccc3)C2)n1CC1CC1 ZINC000257194711 1038556871 /nfs/dbraw/zinc/55/68/71/1038556871.db2.gz UODCLRWWZRDJTN-QGZVFWFLSA-N 1 1 338.455 3.698 50 0 EHAAMO c1nc(N2CCCC2)sc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000059314157 1128372188 /nfs/dbraw/zinc/37/21/88/1128372188.db2.gz JUIURDQDANKFCW-KRWDZBQOSA-N 1 1 342.512 3.820 50 0 EHAAMO 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c1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCCCCC4)C3)CC2)cc1 ZINC000020448795 563859350 /nfs/dbraw/zinc/85/93/50/563859350.db2.gz GRCXRDVCGRKLAD-QFIPXVFZSA-N 1 1 341.543 3.996 50 0 EHAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2)CCCC1 ZINC000025462572 563885123 /nfs/dbraw/zinc/88/51/23/563885123.db2.gz YCLKGEFKYLYLDQ-UHFFFAOYSA-N 1 1 348.490 3.843 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029487198 563906789 /nfs/dbraw/zinc/90/67/89/563906789.db2.gz CMNFIWZFMHVNFI-NRFANRHFSA-N 1 1 349.478 3.845 50 0 EHAAMO O=C(CCCc1cccs1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911540 563914434 /nfs/dbraw/zinc/91/44/34/563914434.db2.gz UFCNEJNBGBKSCI-GOSISDBHSA-N 1 1 342.508 3.852 50 0 EHAAMO Cc1ncc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)s1 ZINC000076060328 563921453 /nfs/dbraw/zinc/92/14/53/563921453.db2.gz GMFQJTWIUIBIMJ-SNVBAGLBSA-N 1 1 330.379 3.573 50 0 EHAAMO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000058406111 563944946 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O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000071661683 563964739 /nfs/dbraw/zinc/96/47/39/563964739.db2.gz ZGSBXBVISGIJFK-GOSISDBHSA-N 1 1 333.435 3.700 50 0 EHAAMO CC(C)c1nccc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071751608 563965090 /nfs/dbraw/zinc/96/50/90/563965090.db2.gz OAYHYHWQWLIFOQ-IBGZPJMESA-N 1 1 330.520 3.542 50 0 EHAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000077299947 563968828 /nfs/dbraw/zinc/96/88/28/563968828.db2.gz MVGMGDGBANONAM-FQEVSTJZSA-N 1 1 349.482 3.573 50 0 EHAAMO c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@H]2CCn2ccnc2)c1 ZINC000077406559 563969402 /nfs/dbraw/zinc/96/94/02/563969402.db2.gz LPKZXBXRUOFEHC-NRFANRHFSA-N 1 1 349.482 3.573 50 0 EHAAMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000077459667 563969824 /nfs/dbraw/zinc/96/98/24/563969824.db2.gz PKVPOBYTIROPNL-TVQRCGJNSA-N 1 1 347.768 3.527 50 0 EHAAMO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000585142390 563973438 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OCPUJEFUDSOZDE-VBKFSLOCSA-N 1 1 348.468 3.811 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005350074 564003004 /nfs/dbraw/zinc/00/30/04/564003004.db2.gz NUXBPJRERSFVCH-LEWJYISDSA-N 1 1 346.559 3.982 50 0 EHAAMO Cc1ccc(N2CCC[N@H+](C[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000108171203 564027970 /nfs/dbraw/zinc/02/79/70/564027970.db2.gz BLDZPJHKJWLPGW-PZJWPPBQSA-N 1 1 330.516 3.958 50 0 EHAAMO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000108176443 564028008 /nfs/dbraw/zinc/02/80/08/564028008.db2.gz URZHKDCKLZBCFC-DLBZAZTESA-N 1 1 327.472 3.589 50 0 EHAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCCc2ccccc2)c1C ZINC000048365850 564031507 /nfs/dbraw/zinc/03/15/07/564031507.db2.gz QYBAXUCUHMASKY-MRXNPFEDSA-N 1 1 340.467 3.970 50 0 EHAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCCc2ccccc2)c1C ZINC000048365850 564031508 /nfs/dbraw/zinc/03/15/08/564031508.db2.gz QYBAXUCUHMASKY-MRXNPFEDSA-N 1 1 340.467 3.970 50 0 EHAAMO O=C(Nc1cccc(C[NH2+]Cc2ccccn2)c1)c1cccc(F)c1 ZINC000048781505 564032208 /nfs/dbraw/zinc/03/22/08/564032208.db2.gz BJBGEEZQJXPOFM-UHFFFAOYSA-N 1 1 335.382 3.763 50 0 EHAAMO Cc1cc[nH+]c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c1 ZINC000006940395 564033853 /nfs/dbraw/zinc/03/38/53/564033853.db2.gz NXMJALNJRMJBQB-UHFFFAOYSA-N 1 1 348.402 3.732 50 0 EHAAMO O=C(CCCc1ccc(F)cc1)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000223371731 564039663 /nfs/dbraw/zinc/03/96/63/564039663.db2.gz OXFCRAUZUPLWLA-QGZVFWFLSA-N 1 1 332.463 3.529 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000223598989 564040447 /nfs/dbraw/zinc/04/04/47/564040447.db2.gz LBSVOEPERLNKJK-MRXNPFEDSA-N 1 1 327.472 3.699 50 0 EHAAMO CC([NH2+]Cc1cn2cccnc2n1)(c1ccccc1)c1ccccc1 ZINC000182202730 564051467 /nfs/dbraw/zinc/05/14/67/564051467.db2.gz LWGZOCHSAGBUBD-UHFFFAOYSA-N 1 1 328.419 3.783 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)CCC1CCOCC1 ZINC000252490603 564053453 /nfs/dbraw/zinc/05/34/53/564053453.db2.gz 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50 0 EHAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426388542 564093582 /nfs/dbraw/zinc/09/35/82/564093582.db2.gz SDTWNASWBZFHHZ-INIZCTEOSA-N 1 1 340.442 3.954 50 0 EHAAMO Cc1nc2ccccc2c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426509930 564093898 /nfs/dbraw/zinc/09/38/98/564093898.db2.gz FYBWOZYASIUZEB-OAHLLOKOSA-N 1 1 333.435 3.998 50 0 EHAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)c1 ZINC000036100362 564096088 /nfs/dbraw/zinc/09/60/88/564096088.db2.gz NOURGNWOAVSIHO-SFHVURJKSA-N 1 1 337.504 3.719 50 0 EHAAMO CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000065170458 564102153 /nfs/dbraw/zinc/10/21/53/564102153.db2.gz WUSKIHYXJQWKAV-UHFFFAOYSA-N 1 1 345.874 3.606 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2c1C ZINC000007007391 564103114 /nfs/dbraw/zinc/10/31/14/564103114.db2.gz TUTLXQVNXNEMPR-CQSZACIVSA-N 1 1 327.472 3.779 50 0 EHAAMO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000065512463 564106740 /nfs/dbraw/zinc/10/67/40/564106740.db2.gz FBJWSPKAJSKXAO-LBPRGKRZSA-N 1 1 336.430 3.739 50 0 EHAAMO Clc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000065575515 564107628 /nfs/dbraw/zinc/10/76/28/564107628.db2.gz FWQLCQXAMCYCFG-MRXNPFEDSA-N 1 1 326.831 3.922 50 0 EHAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000089735754 564113509 /nfs/dbraw/zinc/11/35/09/564113509.db2.gz KVMDFBLZAQWFBT-NHCUHLMSSA-N 1 1 345.446 3.660 50 0 EHAAMO O=C(CCCc1cccs1)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000089797755 564113864 /nfs/dbraw/zinc/11/38/64/564113864.db2.gz GJACCNNINNKALH-OAHLLOKOSA-N 1 1 333.453 3.872 50 0 EHAAMO c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCCOc3ccccc32)n1 ZINC000089841137 564114182 /nfs/dbraw/zinc/11/41/82/564114182.db2.gz PNUMSKYZNPKRNU-IBGZPJMESA-N 1 1 333.435 3.935 50 0 EHAAMO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1cc(C)ccc1F ZINC000089941991 564115568 /nfs/dbraw/zinc/11/55/68/564115568.db2.gz XCZRKNMDHKFPKW-INIZCTEOSA-N 1 1 331.439 3.510 50 0 EHAAMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1nnnn1-c1cc(C)ccc1F ZINC000089941991 564115569 /nfs/dbraw/zinc/11/55/69/564115569.db2.gz XCZRKNMDHKFPKW-INIZCTEOSA-N 1 1 331.439 3.510 50 0 EHAAMO CC1(C)C[C@@H](Nc2ccn(CC(F)F)n2)C[N@H+]1Cc1ccccc1 ZINC000090189064 564116450 /nfs/dbraw/zinc/11/64/50/564116450.db2.gz VKQDEXMOVDDYLR-OAHLLOKOSA-N 1 1 334.414 3.613 50 0 EHAAMO C[C@H](CNC(=S)Nc1ccc(F)cc1F)[N@H+]1CCCC[C@H]1C ZINC000252457269 564118583 /nfs/dbraw/zinc/11/85/83/564118583.db2.gz SBQVETZUMQYRSH-VXGBXAGGSA-N 1 1 327.444 3.514 50 0 EHAAMO Cc1nnc(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCc3ccccc32)o1 ZINC000252510985 564120062 /nfs/dbraw/zinc/12/00/62/564120062.db2.gz CREVZWPFPTTYDE-RBUKOAKNSA-N 1 1 325.456 3.895 50 0 EHAAMO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252512722 564120206 /nfs/dbraw/zinc/12/02/06/564120206.db2.gz VBKCPDOWRYBTTB-CEXWTWQISA-N 1 1 345.462 3.593 50 0 EHAAMO COc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1Cl ZINC000194372954 564120533 /nfs/dbraw/zinc/12/05/33/564120533.db2.gz IQBZPDXYTLCDLG-CQSZACIVSA-N 1 1 348.834 3.550 50 0 EHAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000252679910 564124914 /nfs/dbraw/zinc/12/49/14/564124914.db2.gz SWOJKJVUWHYUIQ-GGPKGHCWSA-N 1 1 328.500 3.873 50 0 EHAAMO Cc1ncsc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000253426434 564131157 /nfs/dbraw/zinc/13/11/57/564131157.db2.gz HNTAMMHWESLTDX-NSHDSACASA-N 1 1 330.379 3.504 50 0 EHAAMO COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000253428008 564131220 /nfs/dbraw/zinc/13/12/20/564131220.db2.gz OOUFEHCUQSZZLY-ZDUSSCGKSA-N 1 1 345.361 3.750 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1ccccc1 ZINC000012653702 564135416 /nfs/dbraw/zinc/13/54/16/564135416.db2.gz ZFZIIGPUWLXOFS-PKOBYXMFSA-N 1 1 337.492 4.000 50 0 biogenic EHAAMO COc1ncccc1C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000390833498 564138836 /nfs/dbraw/zinc/13/88/36/564138836.db2.gz IHQXFPNZBPJYJQ-ZWKOTPCHSA-N 1 1 330.403 3.581 50 0 EHAAMO COC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1)c1ccco1 ZINC000095968843 564143253 /nfs/dbraw/zinc/14/32/53/564143253.db2.gz IDHKUPZBVDSQFF-RHSMWYFYSA-N 1 1 345.443 3.848 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cnc(C)nc1C)O[C@@H](C)C2 ZINC000096476432 564148400 /nfs/dbraw/zinc/14/84/00/564148400.db2.gz RIKAGEOMYRGBAV-QWHCGFSZSA-N 1 1 341.455 3.666 50 0 EHAAMO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000002638894 564151650 /nfs/dbraw/zinc/15/16/50/564151650.db2.gz MWOLCMNEZGSUST-UHFFFAOYSA-N 1 1 339.483 3.992 50 0 EHAAMO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000002638894 564151651 /nfs/dbraw/zinc/15/16/51/564151651.db2.gz MWOLCMNEZGSUST-UHFFFAOYSA-N 1 1 339.483 3.992 50 0 EHAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCO)c1 ZINC000002974709 564153942 /nfs/dbraw/zinc/15/39/42/564153942.db2.gz YJLOAOIYYDMTTP-UHFFFAOYSA-N 1 1 344.418 3.800 50 0 EHAAMO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057568208 564154980 /nfs/dbraw/zinc/15/49/80/564154980.db2.gz PSFAXOAJPDVFBQ-AUUYWEPGSA-N 1 1 326.415 3.805 50 0 EHAAMO Cc1cccc(CCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000058162878 564157891 /nfs/dbraw/zinc/15/78/91/564157891.db2.gz POQUPALEGMXKRX-KDURUIRLSA-N 1 1 345.531 3.595 50 0 EHAAMO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3ccccc3Cl)nc12 ZINC000032511055 564161595 /nfs/dbraw/zinc/16/15/95/564161595.db2.gz APTOSXNGOFIRNX-ZDUSSCGKSA-N 1 1 327.815 3.507 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000008072293 564162512 /nfs/dbraw/zinc/16/25/12/564162512.db2.gz LHYVKNZSHMPJMI-HNNXBMFYSA-N 1 1 344.480 3.787 50 0 EHAAMO CCc1nnsc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000040119472 564168174 /nfs/dbraw/zinc/16/81/74/564168174.db2.gz GDWBHPYNBMMMAR-CYBMUJFWSA-N 1 1 344.484 3.727 50 0 EHAAMO CC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000069699469 564171567 /nfs/dbraw/zinc/17/15/67/564171567.db2.gz RUHGPUKBSBUIDM-IAGOWNOFSA-N 1 1 345.487 3.734 50 0 EHAAMO c1ccc(C(OCC[N@@H+]2CCc3cncnc3C2)c2ccccc2)cc1 ZINC000069739163 564171850 /nfs/dbraw/zinc/17/18/50/564171850.db2.gz SLAWRGHIMXALEL-UHFFFAOYSA-N 1 1 345.446 3.641 50 0 EHAAMO c1ccc(C(OCC[N@H+]2CCc3cncnc3C2)c2ccccc2)cc1 ZINC000069739163 564171851 /nfs/dbraw/zinc/17/18/51/564171851.db2.gz SLAWRGHIMXALEL-UHFFFAOYSA-N 1 1 345.446 3.641 50 0 EHAAMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cccs2)C[C@@H](C)O1 ZINC000069833324 564172446 /nfs/dbraw/zinc/17/24/46/564172446.db2.gz ZRZMGUZZNAUCFS-HZPDHXFCSA-N 1 1 330.497 3.647 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CCC(n3cccc3)CC2)C1 ZINC000070004028 564173176 /nfs/dbraw/zinc/17/31/76/564173176.db2.gz FJUAULWYGHEQJP-CTWPCTMYSA-N 1 1 340.471 3.588 50 0 EHAAMO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCCCC1 ZINC000071862811 564176132 /nfs/dbraw/zinc/17/61/32/564176132.db2.gz ABQPGXFJEJGTGY-UHFFFAOYSA-N 1 1 340.221 3.857 50 0 EHAAMO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000289776419 1020099766 /nfs/dbraw/zinc/09/97/66/1020099766.db2.gz XVRADPHENKDEMS-KRWDZBQOSA-N 1 1 344.459 3.546 50 0 EHAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000023505685 1035464938 /nfs/dbraw/zinc/46/49/38/1035464938.db2.gz KYVZJAFMYNOMCI-FQEVSTJZSA-N 1 1 343.515 3.517 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1C(C)C ZINC000257192320 1038530222 /nfs/dbraw/zinc/53/02/22/1038530222.db2.gz TVVWITRLSCTMSA-LJQANCHMSA-N 1 1 339.483 3.796 50 0 EHAAMO c1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078095 1039713077 /nfs/dbraw/zinc/71/30/77/1039713077.db2.gz KHJGVIHWNXKXPN-RXVVDRJESA-N 1 1 342.483 3.644 50 0 EHAAMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000252496993 1041323541 /nfs/dbraw/zinc/32/35/41/1041323541.db2.gz PXFSFCUIIWHBBB-SFHVURJKSA-N 1 1 339.439 3.637 50 0 EHAAMO Clc1ccc2nc(CCC[NH2+]C3CSCCSC3)[nH]c2c1 ZINC000825573866 1131281812 /nfs/dbraw/zinc/28/18/12/1131281812.db2.gz TWQOYQSRSGABBX-UHFFFAOYSA-N 1 1 341.933 3.587 50 0 EHAAMO Cc1cnc(CC[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000091701382 1124995902 /nfs/dbraw/zinc/99/59/02/1124995902.db2.gz CSWGZRGVSNUDIC-SFHVURJKSA-N 1 1 346.496 3.684 50 0 EHAAMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092707657 1125156679 /nfs/dbraw/zinc/15/66/79/1125156679.db2.gz QILISPQYWDWSIS-QGZVFWFLSA-N 1 1 344.499 3.528 50 0 EHAAMO CC(C)=CC[N@@H+]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012325322 1129536630 /nfs/dbraw/zinc/53/66/30/1129536630.db2.gz TZSRZVWANUIYOJ-UHFFFAOYSA-N 1 1 340.389 3.706 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)CC(C)C)C2)n1Cc1ccccc1 ZINC000581806513 1132368264 /nfs/dbraw/zinc/36/82/64/1132368264.db2.gz RKWKXOGVJXAGLU-LJQANCHMSA-N 1 1 339.483 3.677 50 0 EHAAMO Cn1c2ccccc2nc1C[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000193250028 1137457537 /nfs/dbraw/zinc/45/75/37/1137457537.db2.gz PZCPLGUWRSHOHO-UHFFFAOYSA-N 1 1 335.451 3.573 50 0 EHAAMO COc1cc(F)ccc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000952978450 1137484744 /nfs/dbraw/zinc/48/47/44/1137484744.db2.gz CIZPVHCHBSNKCJ-SFHVURJKSA-N 1 1 335.444 3.841 50 0 EHAAMO COc1ccc(/C=C/CN2CCC[N@@H+](Cc3cccs3)CC2)cc1 ZINC000952986743 1137485552 /nfs/dbraw/zinc/48/55/52/1137485552.db2.gz HZWNXCHOPSEUGC-GORDUTHDSA-N 1 1 342.508 3.978 50 0 EHAAMO Cc1ccc(N2CCC(c3nc(-c4cccs4)no3)CC2)[nH+]c1 ZINC000113704015 1140900173 /nfs/dbraw/zinc/90/01/73/1140900173.db2.gz MLLAJMGXIBTNKH-UHFFFAOYSA-N 1 1 326.425 3.886 50 0 EHAAMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745170 210267650 /nfs/dbraw/zinc/26/76/50/210267650.db2.gz AWJYQQXYNYSORH-JOCHJYFZSA-N 1 1 348.490 3.792 50 0 EHAAMO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)cs1 ZINC000051064229 214077308 /nfs/dbraw/zinc/07/73/08/214077308.db2.gz IFZHXNDWKDZOQC-QGZVFWFLSA-N 1 1 343.496 3.865 50 0 EHAAMO CC(=O)Nc1nc(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)cs1 ZINC000051064229 214077310 /nfs/dbraw/zinc/07/73/10/214077310.db2.gz IFZHXNDWKDZOQC-QGZVFWFLSA-N 1 1 343.496 3.865 50 0 EHAAMO Cc1noc([C@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)n1 ZINC000052862018 214150542 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/nfs/dbraw/zinc/32/94/29/563329429.db2.gz KRUSBQSUJNVPSL-FQEVSTJZSA-N 1 1 343.492 3.996 50 0 EHAAMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000002765002 563449764 /nfs/dbraw/zinc/44/97/64/563449764.db2.gz YOSFWHYLXKIUJO-UHFFFAOYSA-N 1 1 342.439 3.555 50 0 EHAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000007952004 563617874 /nfs/dbraw/zinc/61/78/74/563617874.db2.gz ABQUFQQMQCPHOH-RNCFNFMXSA-N 1 1 339.848 3.744 50 0 EHAAMO Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000012578959 563663838 /nfs/dbraw/zinc/66/38/38/563663838.db2.gz RIMHGDPRLYWOAD-KRWDZBQOSA-N 1 1 328.481 3.793 50 0 EHAAMO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)o1 ZINC000012709273 563668160 /nfs/dbraw/zinc/66/81/60/563668160.db2.gz XSPNOTSKTUAMDK-QGZVFWFLSA-N 1 1 344.430 3.772 50 0 EHAAMO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000012709273 563668166 /nfs/dbraw/zinc/66/81/66/563668166.db2.gz XSPNOTSKTUAMDK-QGZVFWFLSA-N 1 1 344.430 3.772 50 0 EHAAMO Cc1ccccc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012788785 563671294 /nfs/dbraw/zinc/67/12/94/563671294.db2.gz BPVPEOZVMMBAKS-LJQANCHMSA-N 1 1 326.415 3.586 50 0 EHAAMO Cc1ccccc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012788785 563671296 /nfs/dbraw/zinc/67/12/96/563671296.db2.gz BPVPEOZVMMBAKS-LJQANCHMSA-N 1 1 326.415 3.586 50 0 EHAAMO COc1ccc(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000013143356 563691375 /nfs/dbraw/zinc/69/13/75/563691375.db2.gz BJLIVVSDLXNEDM-MSOLQXFVSA-N 1 1 329.827 3.877 50 0 EHAAMO CNC(=O)c1ccc(C[N@@H+](CCc2ccccc2)Cc2ccco2)cc1 ZINC000032804041 563741051 /nfs/dbraw/zinc/74/10/51/563741051.db2.gz FCQHVMZAXKNTII-UHFFFAOYSA-N 1 1 348.446 3.884 50 0 EHAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000015078030 563776876 /nfs/dbraw/zinc/77/68/76/563776876.db2.gz LBTXHJRBGZRJSP-KRWDZBQOSA-N 1 1 325.412 3.687 50 0 EHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]1c1c(C)noc1C ZINC000015866906 563797836 /nfs/dbraw/zinc/79/78/36/563797836.db2.gz POLLZJLLMRHLJC-HNNXBMFYSA-N 1 1 346.427 3.654 50 0 EHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H]1c1c(C)noc1C ZINC000015866906 563797841 /nfs/dbraw/zinc/79/78/41/563797841.db2.gz POLLZJLLMRHLJC-HNNXBMFYSA-N 1 1 346.427 3.654 50 0 EHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c(C)c1 ZINC000016420759 563811044 /nfs/dbraw/zinc/81/10/44/563811044.db2.gz AAAQJGDCIGPCCV-MRXNPFEDSA-N 1 1 342.508 3.943 50 0 EHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)c(C)c1 ZINC000016420759 563811046 /nfs/dbraw/zinc/81/10/46/563811046.db2.gz AAAQJGDCIGPCCV-MRXNPFEDSA-N 1 1 342.508 3.943 50 0 EHAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000025246838 563882572 /nfs/dbraw/zinc/88/25/72/563882572.db2.gz OTTJBSISQTVCCX-UHFFFAOYSA-N 1 1 345.446 3.598 50 0 EHAAMO C[NH+]1CCN(c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC000025666148 563887091 /nfs/dbraw/zinc/88/70/91/563887091.db2.gz PCQMOXBUQWMCDE-UHFFFAOYSA-N 1 1 327.375 3.581 50 0 EHAAMO COc1ccc(C[NH2+]Cc2cccc(NC(C)=O)c2)c(Cl)c1OC ZINC000072271301 563896655 /nfs/dbraw/zinc/89/66/55/563896655.db2.gz BKFUDBVKUQEEGI-UHFFFAOYSA-N 1 1 348.830 3.605 50 0 EHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC000029841644 563908617 /nfs/dbraw/zinc/90/86/17/563908617.db2.gz LNZJVVXZCQCWFA-UHFFFAOYSA-N 1 1 346.833 3.657 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2c1C ZINC000030029497 563909383 /nfs/dbraw/zinc/90/93/83/563909383.db2.gz LVGLAVZGBIJDAN-NRFANRHFSA-N 1 1 347.462 3.914 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2c1C ZINC000030029497 563909384 /nfs/dbraw/zinc/90/93/84/563909384.db2.gz LVGLAVZGBIJDAN-NRFANRHFSA-N 1 1 347.462 3.914 50 0 EHAAMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000030965579 563911993 /nfs/dbraw/zinc/91/19/93/563911993.db2.gz MODDWDPTYKGJFG-MRXNPFEDSA-N 1 1 337.448 3.732 50 0 EHAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000030965579 563911994 /nfs/dbraw/zinc/91/19/94/563911994.db2.gz MODDWDPTYKGJFG-MRXNPFEDSA-N 1 1 337.448 3.732 50 0 EHAAMO COc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C ZINC000000209567 563917159 /nfs/dbraw/zinc/91/71/59/563917159.db2.gz BXDDLXCGNUJAAA-UHFFFAOYSA-N 1 1 338.451 3.528 50 0 EHAAMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000060361180 563935447 /nfs/dbraw/zinc/93/54/47/563935447.db2.gz KXVJPYDRKIKDHK-OAHLLOKOSA-N 1 1 342.405 3.690 50 0 EHAAMO CC(C)(C)[C@H]([NH2+]Cn1ncc2ccccc2c1=O)c1cccs1 ZINC000057991376 563936211 /nfs/dbraw/zinc/93/62/11/563936211.db2.gz AUMHURNEMQUDTR-MRXNPFEDSA-N 1 1 327.453 3.793 50 0 EHAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058081480 563937138 /nfs/dbraw/zinc/93/71/38/563937138.db2.gz HVMIASPINQGXDM-BBRMVZONSA-N 1 1 339.391 3.888 50 0 EHAAMO Cc1[nH+]ccn1-c1ccccc1CNc1nccc(C(F)(F)F)n1 ZINC000058166742 563938723 /nfs/dbraw/zinc/93/87/23/563938723.db2.gz UQYGGZYMBRGVBI-UHFFFAOYSA-N 1 1 333.317 3.602 50 0 EHAAMO CCC[N@@H+](CCOc1ccccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000058173126 563938945 /nfs/dbraw/zinc/93/89/45/563938945.db2.gz RKVUWSWPEZVFTJ-MRXNPFEDSA-N 1 1 344.430 3.944 50 0 EHAAMO CCc1noc([C@@H](C)[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000058343363 563943068 /nfs/dbraw/zinc/94/30/68/563943068.db2.gz LPJBGKAGSLFCTJ-GFCCVEGCSA-N 1 1 326.400 3.714 50 0 EHAAMO CCc1noc([C@H](C)[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000058343364 563943072 /nfs/dbraw/zinc/94/30/72/563943072.db2.gz LPJBGKAGSLFCTJ-LBPRGKRZSA-N 1 1 326.400 3.714 50 0 EHAAMO Cc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000058429939 563946217 /nfs/dbraw/zinc/94/62/17/563946217.db2.gz JZFSFKCKANPWPR-INIZCTEOSA-N 1 1 337.467 3.803 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 ZINC000063868514 563956276 /nfs/dbraw/zinc/95/62/76/563956276.db2.gz WYOGZGDXERBGDA-SFHVURJKSA-N 1 1 339.414 3.542 50 0 EHAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068914 563959588 /nfs/dbraw/zinc/95/95/88/563959588.db2.gz FIFGWOHVQJNGIL-UHFFFAOYSA-N 1 1 347.871 3.740 50 0 EHAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](CCSc2ccccc2)C1 ZINC000065397697 563959780 /nfs/dbraw/zinc/95/97/80/563959780.db2.gz QTRYGUGNMDETSI-FQEVSTJZSA-N 1 1 344.524 3.812 50 0 EHAAMO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccn1-c1nccs1 ZINC000065422074 563960583 /nfs/dbraw/zinc/96/05/83/563960583.db2.gz HBQDVAKDTBQMCS-OAHLLOKOSA-N 1 1 328.441 3.876 50 0 EHAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccn1-c1nccs1 ZINC000065422074 563960584 /nfs/dbraw/zinc/96/05/84/563960584.db2.gz HBQDVAKDTBQMCS-OAHLLOKOSA-N 1 1 328.441 3.876 50 0 EHAAMO Cc1cccc(CC2(NC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)c1 ZINC000065421201 563960597 /nfs/dbraw/zinc/96/05/97/563960597.db2.gz LILREQZQMIQCPI-MRXNPFEDSA-N 1 1 325.456 3.767 50 0 EHAAMO CC(=O)N(CC1=CCC[N@@H+](CCCF)C1)[C@@H]1CCCc2ccccc21 ZINC000065469212 563961382 /nfs/dbraw/zinc/96/13/82/563961382.db2.gz RIVAWUPGETZXTP-OAQYLSRUSA-N 1 1 344.474 3.904 50 0 EHAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000065493095 563961591 /nfs/dbraw/zinc/96/15/91/563961591.db2.gz ZLWPABYLMGWGIL-JOCHJYFZSA-N 1 1 349.478 3.768 50 0 EHAAMO CCNc1ncc(C[N@H+]2CCC[C@@H](CCc3ccccc3F)C2)cn1 ZINC000071552122 563964549 /nfs/dbraw/zinc/96/45/49/563964549.db2.gz LEOTWUYLBGQMGF-INIZCTEOSA-N 1 1 342.462 3.892 50 0 EHAAMO COc1c(C)c[nH+]c(CN2CCO[C@H](CC3CCCCC3)C2)c1C ZINC000071746240 563964982 /nfs/dbraw/zinc/96/49/82/563964982.db2.gz IKIBBGWBUNDQQU-GOSISDBHSA-N 1 1 332.488 3.878 50 0 EHAAMO Cc1nc(C)c(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000097017136 563966767 /nfs/dbraw/zinc/96/67/67/563966767.db2.gz FXRCEJHSQSQBAM-UHFFFAOYSA-N 1 1 347.503 3.696 50 0 EHAAMO Cc1[nH+]ccn1CCC(=O)N1CCC(Sc2cccc(C)c2)CC1 ZINC000077297806 563968813 /nfs/dbraw/zinc/96/88/13/563968813.db2.gz JWGWWRBEXFEKJR-UHFFFAOYSA-N 1 1 343.496 3.673 50 0 EHAAMO Cc1nc2ccccc2nc1CN1CCC[N@H+](C2CCCCC2)CC1 ZINC000077323296 563968963 /nfs/dbraw/zinc/96/89/63/563968963.db2.gz MAQYJSKKQPCQDR-UHFFFAOYSA-N 1 1 338.499 3.779 50 0 EHAAMO Cc1cccc2[nH]c([C@H]3CCCN(c4[nH+]cnc5[nH]ccc54)C3)nc21 ZINC000077375985 563969229 /nfs/dbraw/zinc/96/92/29/563969229.db2.gz SUOHBQBPDGGDQJ-ZDUSSCGKSA-N 1 1 332.411 3.527 50 0 EHAAMO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000077420927 563969568 /nfs/dbraw/zinc/96/95/68/563969568.db2.gz KSXGYYOSKMIFOM-UHFFFAOYSA-N 1 1 325.456 3.649 50 0 EHAAMO COCCC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000077420525 563969603 /nfs/dbraw/zinc/96/96/03/563969603.db2.gz MKPNPOWMEMSIAQ-GOSISDBHSA-N 1 1 327.472 3.819 50 0 EHAAMO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc(-n2ccnc2)cc1 ZINC000077455685 563969750 /nfs/dbraw/zinc/96/97/50/563969750.db2.gz LNNUMPAJTPPECK-UHFFFAOYSA-N 1 1 345.406 3.554 50 0 EHAAMO Cc1nc(C(C)C)cc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)n1 ZINC000082121139 563972492 /nfs/dbraw/zinc/97/24/92/563972492.db2.gz ZBXQTECMBZFZDG-UHFFFAOYSA-N 1 1 339.487 3.899 50 0 EHAAMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000585141659 563973390 /nfs/dbraw/zinc/97/33/90/563973390.db2.gz YSMXPMGKIPXXCJ-MRXNPFEDSA-N 1 1 334.460 3.892 50 0 EHAAMO COC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000095527450 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Cc1ccccc1-c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3C)C2)cc1 ZINC000091493811 218014498 /nfs/dbraw/zinc/01/44/98/218014498.db2.gz NJOHJDPVEMKIBN-YLJYHZDGSA-N 1 1 334.463 3.828 50 0 EHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1C1CCC1 ZINC000011874242 211262415 /nfs/dbraw/zinc/26/24/15/211262415.db2.gz KZBHQSFMFWWKRX-SFHVURJKSA-N 1 1 337.423 3.829 50 0 EHAAMO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000091625792 218034724 /nfs/dbraw/zinc/03/47/24/218034724.db2.gz LTOHHVVMRNEZED-INIZCTEOSA-N 1 1 332.271 3.604 50 0 EHAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000091625792 218034726 /nfs/dbraw/zinc/03/47/26/218034726.db2.gz LTOHHVVMRNEZED-INIZCTEOSA-N 1 1 332.271 3.604 50 0 EHAAMO Clc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)s1 ZINC000091933726 218091047 /nfs/dbraw/zinc/09/10/47/218091047.db2.gz UHIMYYUZFQYTIP-GOEBONIOSA-N 1 1 347.915 3.893 50 0 EHAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)cc1)C2 ZINC000092027984 218106194 /nfs/dbraw/zinc/10/61/94/218106194.db2.gz SLKOXMAMKBEQEF-CRAIPNDOSA-N 1 1 331.435 3.720 50 0 EHAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CC(C)(C)C)C3)cc1 ZINC000092046787 218110416 /nfs/dbraw/zinc/11/04/16/218110416.db2.gz VECSXBYDHNZOKW-ZWKOTPCHSA-N 1 1 344.499 3.554 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000010328336 211163600 /nfs/dbraw/zinc/16/36/00/211163600.db2.gz UKSKEEZEIOXCEK-HXUWFJFHSA-N 1 1 348.446 3.908 50 0 EHAAMO COc1ccc(C[N@H+](Cc2nc(C)no2)C2CCCCC2)cc1OC ZINC000095389768 218321548 /nfs/dbraw/zinc/32/15/48/218321548.db2.gz SGJFOGHTZOMRQD-UHFFFAOYSA-N 1 1 345.443 3.730 50 0 EHAAMO COc1ccc(C[N@@H+](Cc2nc(C)no2)C2CCCCC2)cc1OC ZINC000095389768 218321550 /nfs/dbraw/zinc/32/15/50/218321550.db2.gz SGJFOGHTZOMRQD-UHFFFAOYSA-N 1 1 345.443 3.730 50 0 EHAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000095391059 218322960 /nfs/dbraw/zinc/32/29/60/218322960.db2.gz CDNMXHHAYCVCBN-HNNXBMFYSA-N 1 1 344.430 3.824 50 0 EHAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000095404807 218340468 /nfs/dbraw/zinc/34/04/68/218340468.db2.gz VDJAQVGANJUISD-ZYHUDNBSSA-N 1 1 328.243 3.694 50 0 EHAAMO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)c(OC2CCCC2)c1 ZINC000095427560 218369756 /nfs/dbraw/zinc/36/97/56/218369756.db2.gz FGWCEXBXOMIAKO-UHFFFAOYSA-N 1 1 344.480 3.767 50 0 EHAAMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000095432360 218375075 /nfs/dbraw/zinc/37/50/75/218375075.db2.gz RHAAAVBYCSUNAV-ZDUSSCGKSA-N 1 1 341.402 3.979 50 0 EHAAMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000095522109 218426953 /nfs/dbraw/zinc/42/69/53/218426953.db2.gz OHPHRKNKFWZYPA-FQEVSTJZSA-N 1 1 334.423 3.685 50 0 EHAAMO COc1cccc([C@@H](CNCc2cc(F)ccc2F)[NH+]2CCCC2)c1 ZINC000097465483 219026666 /nfs/dbraw/zinc/02/66/66/219026666.db2.gz PIBJPRRDTTXZPP-HXUWFJFHSA-N 1 1 346.421 3.900 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 ZINC000097604135 219040384 /nfs/dbraw/zinc/04/03/84/219040384.db2.gz PKJMATZGPLZDMP-SNVBAGLBSA-N 1 1 343.805 3.709 50 0 EHAAMO Fc1cccc(-c2nc3c([nH]2)C[N@@H+](CCCc2cccnc2)CC3)c1 ZINC000097594765 219037061 /nfs/dbraw/zinc/03/70/61/219037061.db2.gz IQUIFMAZWVBSQR-UHFFFAOYSA-N 1 1 336.414 3.602 50 0 EHAAMO CCCCC[C@@H]1C[C@H]([NH2+]CCCN(C)C)C=C(C)[C@H]1C(=O)OCC ZINC000245310678 258000405 /nfs/dbraw/zinc/00/04/05/258000405.db2.gz JRFXBJKUUCWENF-GUDVDZBRSA-N 1 1 338.536 3.622 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4ccsc43)CC2)cc1 ZINC000012879724 258055562 /nfs/dbraw/zinc/05/55/62/258055562.db2.gz VQCTWIVJFQRXCA-UHFFFAOYSA-N 1 1 338.480 3.712 50 0 EHAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215959377 258072215 /nfs/dbraw/zinc/07/22/15/258072215.db2.gz WSRCMTAQULXGHL-OAHLLOKOSA-N 1 1 344.480 3.697 50 0 EHAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215959421 258072411 /nfs/dbraw/zinc/07/24/11/258072411.db2.gz WSRCMTAQULXGHL-HNNXBMFYSA-N 1 1 344.480 3.697 50 0 EHAAMO c1ccc([C@@H]2C[C@H](c3noc(C4CCOCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299759478 258076981 /nfs/dbraw/zinc/07/69/81/258076981.db2.gz SIHKASCXPPHCOJ-KSZLIROESA-N 1 1 339.439 3.657 50 0 EHAAMO Cn1ncnc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000181242662 534323525 /nfs/dbraw/zinc/32/35/25/534323525.db2.gz XZSWLTDWDSWDGB-TZIWHRDSSA-N 1 1 332.451 3.766 50 0 EHAAMO COc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000216547401 536876897 /nfs/dbraw/zinc/87/68/97/536876897.db2.gz YPFHMCSJJWSNGB-IBGZPJMESA-N 1 1 341.451 3.621 50 0 EHAAMO CCOc1cc(C[NH+]2CCN(c3ccccc3C)CC2)ccc1OC ZINC000000293636 563274212 /nfs/dbraw/zinc/27/42/12/563274212.db2.gz ZKNRXZLDYFFJAV-UHFFFAOYSA-N 1 1 340.467 3.725 50 0 EHAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012588286 563664270 /nfs/dbraw/zinc/66/42/70/563664270.db2.gz GWESYNIWBKCHQE-OAHLLOKOSA-N 1 1 335.835 3.781 50 0 EHAAMO COc1ccc(C[N@@H+](C)CCC(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000012788515 563670756 /nfs/dbraw/zinc/67/07/56/563670756.db2.gz HXAOCHGBXDUXEA-HNNXBMFYSA-N 1 1 344.430 3.534 50 0 EHAAMO Cc1ccc2c(C[N@@H+](C)CCOc3ccccc3C)cc(=O)oc2c1 ZINC000012802857 563674136 /nfs/dbraw/zinc/67/41/36/563674136.db2.gz ZGYCTUZUHJAYGR-UHFFFAOYSA-N 1 1 337.419 3.921 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012997255 563683793 /nfs/dbraw/zinc/68/37/93/563683793.db2.gz NTSMQPCQMKQIIL-JXFKEZNVSA-N 1 1 338.451 3.710 50 0 EHAAMO CC[N@@H+](Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1 ZINC000014952005 563768148 /nfs/dbraw/zinc/76/81/48/563768148.db2.gz XVISNWSKUZKNFS-INIZCTEOSA-N 1 1 336.382 3.929 50 0 EHAAMO CC[N@H+](Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1 ZINC000014952005 563768152 /nfs/dbraw/zinc/76/81/52/563768152.db2.gz XVISNWSKUZKNFS-INIZCTEOSA-N 1 1 336.382 3.929 50 0 EHAAMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cc1F ZINC000014957479 563768164 /nfs/dbraw/zinc/76/81/64/563768164.db2.gz QFXPHZXTYVFOSN-INIZCTEOSA-N 1 1 348.462 3.751 50 0 EHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CC(C)C ZINC000014977057 563769630 /nfs/dbraw/zinc/76/96/30/563769630.db2.gz YBXULXROXJVQHO-IBGZPJMESA-N 1 1 348.506 3.975 50 0 EHAAMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)Cc1ccncc1 ZINC000015961650 563800823 /nfs/dbraw/zinc/80/08/23/563800823.db2.gz BZZNOGCLIWTOPD-UHFFFAOYSA-N 1 1 340.402 3.642 50 0 EHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000016342705 563808883 /nfs/dbraw/zinc/80/88/83/563808883.db2.gz SVYSFDMURCXIKK-NRFANRHFSA-N 1 1 336.479 3.963 50 0 EHAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc(C(C)(C)C)c1O ZINC000016663011 563819807 /nfs/dbraw/zinc/81/98/07/563819807.db2.gz XLZSSFDIZGUVAB-OAHLLOKOSA-N 1 1 346.515 3.685 50 0 EHAAMO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1 ZINC000016695373 563820950 /nfs/dbraw/zinc/82/09/50/563820950.db2.gz OWOBATZTBQXVDX-SFHVURJKSA-N 1 1 325.387 3.549 50 0 EHAAMO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000016695393 563821085 /nfs/dbraw/zinc/82/10/85/563821085.db2.gz AYDBEAZEGZBMKU-JTQLQIEISA-N 1 1 327.211 3.553 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000029483836 563906774 /nfs/dbraw/zinc/90/67/74/563906774.db2.gz OVFATNOPUHOJJZ-KRWDZBQOSA-N 1 1 346.377 3.846 50 0 EHAAMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000072305280 563914697 /nfs/dbraw/zinc/91/46/97/563914697.db2.gz VEAPHQILEOGZKU-LBPRGKRZSA-N 1 1 345.712 3.876 50 0 EHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000058024361 563936874 /nfs/dbraw/zinc/93/68/74/563936874.db2.gz RCEUSDLWYIBEQL-FQEVSTJZSA-N 1 1 338.451 3.885 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)C(C)C)s1 ZINC000058158917 563938187 /nfs/dbraw/zinc/93/81/87/563938187.db2.gz CBMHXQXIKBELHW-UHFFFAOYSA-N 1 1 333.482 3.537 50 0 EHAAMO CC[N@H+](CC(=O)N1CCc2ccccc21)[C@@H](C)c1ccc(F)cc1 ZINC000059404652 563948942 /nfs/dbraw/zinc/94/89/42/563948942.db2.gz PENPEZXBJCZCTK-HNNXBMFYSA-N 1 1 326.415 3.798 50 0 EHAAMO CC[N@@H+](CC(=O)N1CCc2ccccc21)[C@@H](C)c1ccc(F)cc1 ZINC000059404652 563948943 /nfs/dbraw/zinc/94/89/43/563948943.db2.gz PENPEZXBJCZCTK-HNNXBMFYSA-N 1 1 326.415 3.798 50 0 EHAAMO C[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000096423683 563951924 /nfs/dbraw/zinc/95/19/24/563951924.db2.gz VZRALODKNYMSAW-KBPBESRZSA-N 1 1 342.405 3.609 50 0 EHAAMO Cc1cccc(-c2nnc(C[N@H+](C[C@@H](O)c3ccccc3)C3CC3)o2)c1 ZINC000096469677 563954453 /nfs/dbraw/zinc/95/44/53/563954453.db2.gz DOGYHDFMKCGYRB-LJQANCHMSA-N 1 1 349.434 3.743 50 0 EHAAMO Cc1cccc(-c2nnc(C[N@@H+](C[C@@H](O)c3ccccc3)C3CC3)o2)c1 ZINC000096469677 563954454 /nfs/dbraw/zinc/95/44/54/563954454.db2.gz DOGYHDFMKCGYRB-LJQANCHMSA-N 1 1 349.434 3.743 50 0 EHAAMO CC[C@@H](C)Oc1ccc(C[NH2+]Cc2csc(N)n2)cc1Cl ZINC000063869598 563956288 /nfs/dbraw/zinc/95/62/88/563956288.db2.gz DLXRXKFCIFRMPN-SNVBAGLBSA-N 1 1 325.865 3.846 50 0 EHAAMO CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1cc(C)ccc1-n1cccn1 ZINC000071762803 563965429 /nfs/dbraw/zinc/96/54/29/563965429.db2.gz JHGUYYCXDBOYJH-FQEVSTJZSA-N 1 1 335.455 3.651 50 0 EHAAMO C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000097034074 563966877 /nfs/dbraw/zinc/96/68/77/563966877.db2.gz FJMMRBDTYLKEQH-LLVKDONJSA-N 1 1 338.329 3.722 50 0 EHAAMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccncc3Cl)ccc2NC1=O ZINC000097033563 563966891 /nfs/dbraw/zinc/96/68/91/563966891.db2.gz ZXVNQJGQQDQFQX-BDJLRTHQSA-N 1 1 345.830 3.695 50 0 EHAAMO COCCC[C@H]1CCC[N@@H+](Cc2cnn(-c3cccc(C)c3)c2)C1 ZINC000077488693 563969952 /nfs/dbraw/zinc/96/99/52/563969952.db2.gz CVHRZRGYQDJBCF-GOSISDBHSA-N 1 1 327.472 3.819 50 0 EHAAMO COCc1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000097231447 563970751 /nfs/dbraw/zinc/97/07/51/563970751.db2.gz HTYUYRRLJDWJRK-JXFKEZNVSA-N 1 1 325.456 3.551 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000082083195 563972017 /nfs/dbraw/zinc/97/20/17/563972017.db2.gz JRANAWLOKNQQDU-SFHVURJKSA-N 1 1 329.419 3.865 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000082120245 563972460 /nfs/dbraw/zinc/97/24/60/563972460.db2.gz JFNLRTLWBPRXJB-QGZVFWFLSA-N 1 1 336.439 3.758 50 0 EHAAMO CCCCC[C@@H]1C[C@@H]([NH2+]CCCN(C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163993 563996525 /nfs/dbraw/zinc/99/65/25/563996525.db2.gz JRFXBJKUUCWENF-QYZOEREBSA-N 1 1 338.536 3.622 50 0 EHAAMO COc1ccccc1NC(=O)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000000485791 564016997 /nfs/dbraw/zinc/01/69/97/564016997.db2.gz DPIBURXPGDTABM-KRWDZBQOSA-N 1 1 337.379 3.562 50 0 biogenic EHAAMO Cc1sc(-n2cccc2)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000047257475 564026013 /nfs/dbraw/zinc/02/60/13/564026013.db2.gz WHNHIJAKTVYMAQ-JKSUJKDBSA-N 1 1 343.496 3.512 50 0 EHAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000106654634 564026554 /nfs/dbraw/zinc/02/65/54/564026554.db2.gz MCTJOVGINRSMSP-GDBMZVCRSA-N 1 1 342.405 3.569 50 0 EHAAMO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108145663 564027885 /nfs/dbraw/zinc/02/78/85/564027885.db2.gz IABCQJMIUGTWTH-DYVFJYSZSA-N 1 1 349.837 3.538 50 0 EHAAMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967534 564034049 /nfs/dbraw/zinc/03/40/49/564034049.db2.gz VVRJVEBKDAHHAI-HLNSBACISA-N 1 1 338.442 3.984 50 0 EHAAMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000083174483 564061736 /nfs/dbraw/zinc/06/17/36/564061736.db2.gz JNSKQDJITIPQKE-GDBMZVCRSA-N 1 1 341.430 3.615 50 0 EHAAMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1C ZINC000084075117 564066158 /nfs/dbraw/zinc/06/61/58/564066158.db2.gz AIEDISYFGYKFLD-GOSISDBHSA-N 1 1 339.483 3.928 50 0 EHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032510343 564072326 /nfs/dbraw/zinc/07/23/26/564072326.db2.gz ZLFFVTOBIPODLW-OAHLLOKOSA-N 1 1 343.452 3.505 50 0 EHAAMO CCc1cnc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2ccnc2)s1 ZINC000561985694 564073014 /nfs/dbraw/zinc/07/30/14/564073014.db2.gz IICMWBCGUBZFLP-HKUYNNGSSA-N 1 1 338.480 3.920 50 0 EHAAMO Cc1cc2occ(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2cc1C ZINC000012927677 564078601 /nfs/dbraw/zinc/07/86/01/564078601.db2.gz PLDDWMTYTYHLCY-KRWDZBQOSA-N 1 1 342.483 3.973 50 0 EHAAMO Cc1c([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000090460800 564084454 /nfs/dbraw/zinc/08/44/54/564084454.db2.gz PLOIGHWWWQREPV-LBPRGKRZSA-N 1 1 339.468 3.760 50 0 EHAAMO CCCOc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000426429851 564093706 /nfs/dbraw/zinc/09/37/06/564093706.db2.gz SGZKYSCDLVDIJP-YSIASYRMSA-N 1 1 333.472 3.634 50 0 EHAAMO COc1cccc(C[N@@H+]2CCCn3nc(-c4ccccc4)cc3C2)c1 ZINC000065270462 564103849 /nfs/dbraw/zinc/10/38/49/564103849.db2.gz VNGIQYCEVOYODL-UHFFFAOYSA-N 1 1 333.435 3.965 50 0 EHAAMO COc1cccc(C[N@H+]2CCCn3nc(-c4ccccc4)cc3C2)c1 ZINC000065270462 564103850 /nfs/dbraw/zinc/10/38/50/564103850.db2.gz VNGIQYCEVOYODL-UHFFFAOYSA-N 1 1 333.435 3.965 50 0 EHAAMO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000065565520 564107073 /nfs/dbraw/zinc/10/70/73/564107073.db2.gz JTUXNWHBRHEREC-HXUWFJFHSA-N 1 1 349.409 3.541 50 0 EHAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000065565520 564107074 /nfs/dbraw/zinc/10/70/74/564107074.db2.gz JTUXNWHBRHEREC-HXUWFJFHSA-N 1 1 349.409 3.541 50 0 EHAAMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000170591431 564108842 /nfs/dbraw/zinc/10/88/42/564108842.db2.gz QKGRFSXRUWHSTK-AWEZNQCLSA-N 1 1 339.361 3.828 50 0 EHAAMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000170591431 564108843 /nfs/dbraw/zinc/10/88/43/564108843.db2.gz QKGRFSXRUWHSTK-AWEZNQCLSA-N 1 1 339.361 3.828 50 0 EHAAMO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000076094928 564115734 /nfs/dbraw/zinc/11/57/34/564115734.db2.gz RYFWCESXZLRZSE-CRAIPNDOSA-N 1 1 336.439 3.638 50 0 EHAAMO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000134799770 564117677 /nfs/dbraw/zinc/11/76/77/564117677.db2.gz HWMFBHKUIPSIAH-HOTGVXAUSA-N 1 1 347.434 3.594 50 0 EHAAMO CC(C)(C)c1noc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000134799770 564117678 /nfs/dbraw/zinc/11/76/78/564117678.db2.gz HWMFBHKUIPSIAH-HOTGVXAUSA-N 1 1 347.434 3.594 50 0 EHAAMO O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367172276 564117855 /nfs/dbraw/zinc/11/78/55/564117855.db2.gz VSOZJIUVVLHGBV-UHFFFAOYSA-N 1 1 340.492 3.876 50 0 EHAAMO C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000002139263 564118911 /nfs/dbraw/zinc/11/89/11/564118911.db2.gz LNUAAHAFERZTED-WRVJLHSDSA-N 1 1 344.543 3.830 50 0 EHAAMO Cc1nc(-c2cccc(C(=O)O[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cs1 ZINC000252502974 564119860 /nfs/dbraw/zinc/11/98/60/564119860.db2.gz UWDUJTYKGHHOSE-IAGOWNOFSA-N 1 1 342.464 3.902 50 0 EHAAMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H]2CCCC[C@@H]12 ZINC000252517277 564120281 /nfs/dbraw/zinc/12/02/81/564120281.db2.gz DOCLKQMVODZZPI-COXVUDFISA-N 1 1 330.501 3.944 50 0 EHAAMO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000007682624 564121895 /nfs/dbraw/zinc/12/18/95/564121895.db2.gz RDIFZEGZQIJDGM-INIZCTEOSA-N 1 1 340.467 3.567 50 0 EHAAMO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000007682624 564121896 /nfs/dbraw/zinc/12/18/96/564121896.db2.gz RDIFZEGZQIJDGM-INIZCTEOSA-N 1 1 340.467 3.567 50 0 EHAAMO C[C@H](NC(=S)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000066008572 564123189 /nfs/dbraw/zinc/12/31/89/564123189.db2.gz VRTMGQLBDBUGCZ-MJQMVNBJSA-N 1 1 345.556 3.959 50 0 EHAAMO C[C@@H](c1ccccc1F)[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000095962951 564142829 /nfs/dbraw/zinc/14/28/29/564142829.db2.gz MMJCIEBZWQHCDU-HNNXBMFYSA-N 1 1 336.414 3.652 50 0 EHAAMO COc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000095978752 564143634 /nfs/dbraw/zinc/14/36/34/564143634.db2.gz OSIRDLVBTIPBAW-JOCHJYFZSA-N 1 1 337.872 3.718 50 0 EHAAMO COc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000095978752 564143635 /nfs/dbraw/zinc/14/36/35/564143635.db2.gz OSIRDLVBTIPBAW-JOCHJYFZSA-N 1 1 337.872 3.718 50 0 EHAAMO COc1ccc2oc([C@H](C)[NH2+]Cc3cn4cccnc4n3)c(C)c2c1 ZINC000096014087 564144823 /nfs/dbraw/zinc/14/48/23/564144823.db2.gz ARWXWIKAOSONFP-ZDUSSCGKSA-N 1 1 336.395 3.643 50 0 EHAAMO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)Nc1c(F)cccc1F ZINC000225595904 564149887 /nfs/dbraw/zinc/14/98/87/564149887.db2.gz FYJPROHOEMOMIU-AWEZNQCLSA-N 1 1 337.395 3.595 50 0 EHAAMO CC(C)c1csc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000670434019 564156533 /nfs/dbraw/zinc/15/65/33/564156533.db2.gz LARIQOZFTSTBRD-CYBMUJFWSA-N 1 1 349.525 3.722 50 0 EHAAMO CC(C)c1csc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000670434019 564156534 /nfs/dbraw/zinc/15/65/34/564156534.db2.gz LARIQOZFTSTBRD-CYBMUJFWSA-N 1 1 349.525 3.722 50 0 EHAAMO COCC[N@H+]1CCC[C@@H](CN(C)c2nc(-c3ccccc3)cs2)C1 ZINC000670434616 564156788 /nfs/dbraw/zinc/15/67/88/564156788.db2.gz ZDESVRZEGZASQC-INIZCTEOSA-N 1 1 345.512 3.605 50 0 EHAAMO CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(OC)c(F)c1 ZINC000008133637 564163086 /nfs/dbraw/zinc/16/30/86/564163086.db2.gz LYMVWHZZBMWSMI-UHFFFAOYSA-N 1 1 344.430 3.912 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(OC)c(F)c1 ZINC000008133637 564163087 /nfs/dbraw/zinc/16/30/87/564163087.db2.gz LYMVWHZZBMWSMI-UHFFFAOYSA-N 1 1 344.430 3.912 50 0 EHAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000069771226 564172040 /nfs/dbraw/zinc/17/20/40/564172040.db2.gz GAKQRXOMFAWTIP-AWEZNQCLSA-N 1 1 341.386 3.863 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000069901657 564172752 /nfs/dbraw/zinc/17/27/52/564172752.db2.gz NIESHEVRBFEEJN-LJQANCHMSA-N 1 1 348.450 3.519 50 0 EHAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000069969776 564172938 /nfs/dbraw/zinc/17/29/38/564172938.db2.gz NDDHYNBZQQREQF-KRWDZBQOSA-N 1 1 335.407 3.929 50 0 EHAAMO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000070036402 564173410 /nfs/dbraw/zinc/17/34/10/564173410.db2.gz GAMITSXCTYRIEH-KRWDZBQOSA-N 1 1 338.451 3.533 50 0 EHAAMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000042201820 564174741 /nfs/dbraw/zinc/17/47/41/564174741.db2.gz FWMBDXDUAJEEJV-LLVKDONJSA-N 1 1 337.366 3.841 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCc1nc2ccccc2o1 ZINC000071876718 564176285 /nfs/dbraw/zinc/17/62/85/564176285.db2.gz XZCHLBDUBZQSTI-QGZVFWFLSA-N 1 1 338.455 3.948 50 0 EHAAMO COc1ccc2sc(C(=O)N3CCC[N@H+](C4CC4)CC3)c(C)c2c1 ZINC000173336705 1033250545 /nfs/dbraw/zinc/25/05/45/1033250545.db2.gz BBMASSIFYATKJO-UHFFFAOYSA-N 1 1 344.480 3.529 50 0 EHAAMO CC(C)CNC(=O)N1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257193847 1038543565 /nfs/dbraw/zinc/54/35/65/1038543565.db2.gz ZXMQUNCEHMNGEE-IBGZPJMESA-N 1 1 343.515 3.900 50 0 EHAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877612 1040888942 /nfs/dbraw/zinc/88/89/42/1040888942.db2.gz XPNBYKIRIXCQFW-WMZOPIPTSA-N 1 1 332.488 3.526 50 0 EHAAMO CCN(C(=O)Nc1cc(C)on1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107151082 1041826618 /nfs/dbraw/zinc/82/66/18/1041826618.db2.gz SEIJBWYOPXOABA-NVXWUHKLSA-N 1 1 342.443 3.672 50 0 EHAAMO OC[C@]1([NH2+]Cc2ccsc2C(F)(F)F)CCOc2ccccc21 ZINC000529556106 1128561441 /nfs/dbraw/zinc/56/14/41/1128561441.db2.gz JULBPRWRMGDTMA-OAHLLOKOSA-N 1 1 343.370 3.527 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007853476 1123934273 /nfs/dbraw/zinc/93/42/73/1123934273.db2.gz BQXGQJGIUVFJAK-KRWDZBQOSA-N 1 1 331.847 3.763 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007853476 1123934275 /nfs/dbraw/zinc/93/42/75/1123934275.db2.gz BQXGQJGIUVFJAK-KRWDZBQOSA-N 1 1 331.847 3.763 50 0 EHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000823778623 1131081831 /nfs/dbraw/zinc/08/18/31/1131081831.db2.gz HJLYFFDSCJCXJX-OAQYLSRUSA-N 1 1 336.479 3.809 50 0 EHAAMO O=C(CCc1ccccc1F)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000828013020 1131414955 /nfs/dbraw/zinc/41/49/55/1131414955.db2.gz KCVWMQXESCAKGU-INIZCTEOSA-N 1 1 346.471 3.601 50 0 EHAAMO CCCn1c(C)cnc1C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575545562 1131568180 /nfs/dbraw/zinc/56/81/80/1131568180.db2.gz IFKGPRSHQPJRPZ-SFHVURJKSA-N 1 1 327.472 3.675 50 0 EHAAMO CC(C)C[N@@H+](Cc1ccncc1)C1CN(C(=O)CC2CCCCC2)C1 ZINC000581776277 1132352637 /nfs/dbraw/zinc/35/26/37/1132352637.db2.gz LNSWVJTZUFUFFM-UHFFFAOYSA-N 1 1 343.515 3.721 50 0 EHAAMO COCCn1c(C)cnc1C[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000581815379 1132372584 /nfs/dbraw/zinc/37/25/84/1132372584.db2.gz APRZHIPXYDZJHM-IBGZPJMESA-N 1 1 333.520 3.673 50 0 EHAAMO Cc1ccc(C[N@H+]2CC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581813630 1132376711 /nfs/dbraw/zinc/37/67/11/1132376711.db2.gz AEGILTFLJNQPOV-QGZVFWFLSA-N 1 1 336.439 3.677 50 0 EHAAMO CC(C)C[N@H+]1CCCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000952964524 1137483635 /nfs/dbraw/zinc/48/36/35/1137483635.db2.gz MFGXKANGOMITQI-UHFFFAOYSA-N 1 1 347.890 3.758 50 0 EHAAMO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000004743651 210266647 /nfs/dbraw/zinc/26/66/47/210266647.db2.gz NWLWWFSYPYQXJE-LBPRGKRZSA-N 1 1 339.277 3.818 50 0 EHAAMO CNc1ccc(C[N@H+](C)Cc2cc(Br)cs2)cn1 ZINC000050815715 214070745 /nfs/dbraw/zinc/07/07/45/214070745.db2.gz SAHIJGZSCGRFJC-UHFFFAOYSA-N 1 1 326.263 3.579 50 0 EHAAMO CNc1ccc(C[N@@H+](C)Cc2cc(Br)cs2)cn1 ZINC000050815715 214070747 /nfs/dbraw/zinc/07/07/47/214070747.db2.gz SAHIJGZSCGRFJC-UHFFFAOYSA-N 1 1 326.263 3.579 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cccn1-c1nccs1 ZINC000055107411 214273061 /nfs/dbraw/zinc/27/30/61/214273061.db2.gz RQNWYMYYKSXMSZ-HNNXBMFYSA-N 1 1 347.509 3.768 50 0 EHAAMO c1cncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1 ZINC000055154744 214279917 /nfs/dbraw/zinc/27/99/17/214279917.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 1 1 327.516 3.950 50 0 EHAAMO Fc1ccc(C[N@@H+](Cc2cccc3c2OCO3)C[C@H]2CCCO2)cc1 ZINC000055198840 214286984 /nfs/dbraw/zinc/28/69/84/214286984.db2.gz IWRRRGDPFHCXLM-GOSISDBHSA-N 1 1 343.398 3.736 50 0 EHAAMO Fc1ccc(C[N@H+](Cc2cccc3c2OCO3)C[C@H]2CCCO2)cc1 ZINC000055198840 214286987 /nfs/dbraw/zinc/28/69/87/214286987.db2.gz IWRRRGDPFHCXLM-GOSISDBHSA-N 1 1 343.398 3.736 50 0 EHAAMO CC(=O)Oc1c(C)cc(C[NH2+][C@H](C)c2cn3ccsc3n2)cc1C ZINC000055393586 214319049 /nfs/dbraw/zinc/31/90/49/214319049.db2.gz YVUWFFZZKCHYPW-CYBMUJFWSA-N 1 1 343.452 3.789 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000055403206 214319572 /nfs/dbraw/zinc/31/95/72/214319572.db2.gz RWYYTDBXSANMHA-CQSZACIVSA-N 1 1 326.469 3.905 50 0 EHAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3c3cccc(C)c3)cc(=O)n12 ZINC000055910885 214347714 /nfs/dbraw/zinc/34/77/14/214347714.db2.gz DRDUSKHGQCGFLA-QGZVFWFLSA-N 1 1 339.464 3.710 50 0 EHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000097819581 219058655 /nfs/dbraw/zinc/05/86/55/219058655.db2.gz CFFSPOHYEDGDHS-UHFFFAOYSA-N 1 1 334.423 3.645 50 0 EHAAMO COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004028851 210102741 /nfs/dbraw/zinc/10/27/41/210102741.db2.gz VWQUVTOLQIBAKW-AAIOHFERSA-N 1 1 329.440 3.516 50 0 biogenic EHAAMO Cc1nc2ccc(Cc3nc(C4CC4)nn3-c3cc[nH+]cc3C)cc2[nH]1 ZINC000067742268 215201235 /nfs/dbraw/zinc/20/12/35/215201235.db2.gz YFVMNSVUIGRXSY-UHFFFAOYSA-N 1 1 344.422 3.624 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H]1CCCO1)CCO2 ZINC000067819935 215222184 /nfs/dbraw/zinc/22/21/84/215222184.db2.gz NUEIBZMZPLUHCP-GOSISDBHSA-N 1 1 339.435 3.741 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H]1CCCO1)CCO2 ZINC000067819935 215222186 /nfs/dbraw/zinc/22/21/86/215222186.db2.gz NUEIBZMZPLUHCP-GOSISDBHSA-N 1 1 339.435 3.741 50 0 EHAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069325887 215378386 /nfs/dbraw/zinc/37/83/86/215378386.db2.gz QAJQMZPHLNQYEM-GOSISDBHSA-N 1 1 328.843 3.621 50 0 EHAAMO CCc1nc(C[NH2+]Cc2ccc(OC)c(Br)c2)cs1 ZINC000069370881 215390932 /nfs/dbraw/zinc/39/09/32/215390932.db2.gz ZBTFJBNVQSJEJW-UHFFFAOYSA-N 1 1 341.274 3.766 50 0 EHAAMO COC(=O)c1cc(C[N@H+](C)Cc2ccc(F)c3cccnc23)oc1C ZINC000040153365 213275147 /nfs/dbraw/zinc/27/51/47/213275147.db2.gz AMSYBPASBAFQCJ-UHFFFAOYSA-N 1 1 342.370 3.694 50 0 EHAAMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(F)c3cccnc23)oc1C ZINC000040153365 213275151 /nfs/dbraw/zinc/27/51/51/213275151.db2.gz AMSYBPASBAFQCJ-UHFFFAOYSA-N 1 1 342.370 3.694 50 0 EHAAMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccco2)cn1 ZINC000040153271 213274362 /nfs/dbraw/zinc/27/43/62/213274362.db2.gz BOSAEQOCERRUNY-UHFFFAOYSA-N 1 1 340.379 3.774 50 0 EHAAMO CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000040118532 213267922 /nfs/dbraw/zinc/26/79/22/213267922.db2.gz MOACLOAFNLXMSH-IZZDOVSWSA-N 1 1 348.406 3.626 50 0 EHAAMO Cc1csc2nc(C[N@H+](C)[C@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000040063169 213257032 /nfs/dbraw/zinc/25/70/32/213257032.db2.gz XXKFAWIGPQLTQC-GFCCVEGCSA-N 1 1 347.871 3.911 50 0 EHAAMO CC[NH+](CC)Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1 ZINC000036203791 213077191 /nfs/dbraw/zinc/07/71/91/213077191.db2.gz BLZRDTQVFBMFHU-UHFFFAOYSA-N 1 1 327.453 3.802 50 0 EHAAMO CC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103928 213069338 /nfs/dbraw/zinc/06/93/38/213069338.db2.gz YFQOFIQRVZJUDQ-IBGZPJMESA-N 1 1 341.451 3.805 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)o1 ZINC000036097612 213065459 /nfs/dbraw/zinc/06/54/59/213065459.db2.gz WKNZNXSPFORXLD-GOSISDBHSA-N 1 1 325.408 3.787 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)o1 ZINC000036097612 213065462 /nfs/dbraw/zinc/06/54/62/213065462.db2.gz WKNZNXSPFORXLD-GOSISDBHSA-N 1 1 325.408 3.787 50 0 EHAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036098339 213065043 /nfs/dbraw/zinc/06/50/43/213065043.db2.gz BWOWODPSOAPLNC-IBGZPJMESA-N 1 1 343.467 3.654 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000035083507 213007058 /nfs/dbraw/zinc/00/70/58/213007058.db2.gz OCWKRSVQUNLLTR-SCRDCRAPSA-N 1 1 332.271 3.711 50 0 EHAAMO CN(C)Cc1csc(C[N@H+](C)Cc2cccc3ncccc23)c1 ZINC000072121654 216015128 /nfs/dbraw/zinc/01/51/28/216015128.db2.gz KVJNTZPTCRSYRM-UHFFFAOYSA-N 1 1 325.481 3.990 50 0 EHAAMO CN(C)Cc1csc(C[N@@H+](C)Cc2cccc3ncccc23)c1 ZINC000072121654 216015132 /nfs/dbraw/zinc/01/51/32/216015132.db2.gz KVJNTZPTCRSYRM-UHFFFAOYSA-N 1 1 325.481 3.990 50 0 EHAAMO Cc1ccc(F)c(CN2CCC[N@@H+](Cc3ccncc3)CC2)c1Cl ZINC000072127192 216018380 /nfs/dbraw/zinc/01/83/80/216018380.db2.gz FBJSTUGHMIKHOM-UHFFFAOYSA-N 1 1 347.865 3.890 50 0 EHAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000072130842 216021171 /nfs/dbraw/zinc/02/11/71/216021171.db2.gz JKBRPPBKQWYFSL-LJQANCHMSA-N 1 1 326.440 3.728 50 0 EHAAMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCCCO2 ZINC000072143880 216028759 /nfs/dbraw/zinc/02/87/59/216028759.db2.gz AVJPNKZEPHOBPE-KRWDZBQOSA-N 1 1 340.423 3.589 50 0 EHAAMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccn1)OCCCO2 ZINC000072143880 216028763 /nfs/dbraw/zinc/02/87/63/216028763.db2.gz AVJPNKZEPHOBPE-KRWDZBQOSA-N 1 1 340.423 3.589 50 0 EHAAMO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000072144442 216030968 /nfs/dbraw/zinc/03/09/68/216030968.db2.gz CGAYDYIWXZQISA-GOSISDBHSA-N 1 1 337.467 3.632 50 0 EHAAMO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000072144442 216030971 /nfs/dbraw/zinc/03/09/71/216030971.db2.gz CGAYDYIWXZQISA-GOSISDBHSA-N 1 1 337.467 3.632 50 0 EHAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072154968 216043441 /nfs/dbraw/zinc/04/34/41/216043441.db2.gz KVMXYAWXCUJLPB-INIZCTEOSA-N 1 1 341.455 3.798 50 0 EHAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000072154968 216043444 /nfs/dbraw/zinc/04/34/44/216043444.db2.gz KVMXYAWXCUJLPB-INIZCTEOSA-N 1 1 341.455 3.798 50 0 EHAAMO COc1ccccc1OC1C[NH+](Cc2c(C)ccc3ncccc32)C1 ZINC000072158720 216048823 /nfs/dbraw/zinc/04/88/23/216048823.db2.gz AXKPCSINBUMZSW-UHFFFAOYSA-N 1 1 334.419 3.815 50 0 EHAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000072274371 216097931 /nfs/dbraw/zinc/09/79/31/216097931.db2.gz STSGDFRHXOUETM-HOTGVXAUSA-N 1 1 335.467 3.649 50 0 EHAAMO C[N@H+]1CCN(C(=O)Cc2cccc3ccccc32)C2(CCCCC2)C1 ZINC000072306723 216144964 /nfs/dbraw/zinc/14/49/64/216144964.db2.gz DKEFRXMEHOBDPU-UHFFFAOYSA-N 1 1 336.479 3.859 50 0 EHAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccoc3)C2)CN1Cc1ccccc1 ZINC000072412491 216205207 /nfs/dbraw/zinc/20/52/07/216205207.db2.gz UQFBLZSKCCQZCK-NRFANRHFSA-N 1 1 338.451 3.684 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[nH]n1 ZINC000022914175 212334309 /nfs/dbraw/zinc/33/43/09/212334309.db2.gz UNWRKOIZGGQWPM-HXUWFJFHSA-N 1 1 340.515 3.672 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)n[nH]1 ZINC000022914175 212334312 /nfs/dbraw/zinc/33/43/12/212334312.db2.gz UNWRKOIZGGQWPM-HXUWFJFHSA-N 1 1 340.515 3.672 50 0 EHAAMO CC(C)c1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)n[nH]1 ZINC000022914175 212334314 /nfs/dbraw/zinc/33/43/14/212334314.db2.gz UNWRKOIZGGQWPM-HXUWFJFHSA-N 1 1 340.515 3.672 50 0 EHAAMO COc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1C[NH+]1CCCC1 ZINC000215178456 241111289 /nfs/dbraw/zinc/11/12/89/241111289.db2.gz RAYXAAPSIYSZHC-KRWDZBQOSA-N 1 1 339.483 3.879 50 0 EHAAMO C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc2nonc2c1 ZINC000215217944 241115189 /nfs/dbraw/zinc/11/51/89/241115189.db2.gz VUCZQRKGJZAJHC-QGZVFWFLSA-N 1 1 327.384 3.689 50 0 EHAAMO C[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc2nonc2c1 ZINC000215217944 241115191 /nfs/dbraw/zinc/11/51/91/241115191.db2.gz VUCZQRKGJZAJHC-QGZVFWFLSA-N 1 1 327.384 3.689 50 0 EHAAMO COc1cc(Cl)cc(C[N@@H+](C)CCC[C@H]2CCCO2)c1OC ZINC000215831543 241151945 /nfs/dbraw/zinc/15/19/45/241151945.db2.gz CCPSZFHLBJGEPQ-HNNXBMFYSA-N 1 1 327.852 3.748 50 0 EHAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155959 /nfs/dbraw/zinc/15/59/59/241155959.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 1 1 344.842 3.646 50 0 EHAAMO CC1=C[C@H](C)[C@H]([C@@H]2OCC[N@@H+]2C[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000022017997 212271022 /nfs/dbraw/zinc/27/10/22/212271022.db2.gz CZMVBBLIMRQMTL-KNJMJIDISA-N 1 1 349.515 3.959 50 0 EHAAMO CC1=C[C@H](C)[C@H]([C@@H]2OCC[N@H+]2C[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000022017997 212271026 /nfs/dbraw/zinc/27/10/26/212271026.db2.gz CZMVBBLIMRQMTL-KNJMJIDISA-N 1 1 349.515 3.959 50 0 EHAAMO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)C[C@@H](O)c1ccccc1 ZINC000020909899 212187233 /nfs/dbraw/zinc/18/72/33/212187233.db2.gz PNWDSAXFAMNTOU-MRXNPFEDSA-N 1 1 343.814 3.555 50 0 EHAAMO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)C[C@@H](O)c1ccccc1 ZINC000020909899 212187237 /nfs/dbraw/zinc/18/72/37/212187237.db2.gz PNWDSAXFAMNTOU-MRXNPFEDSA-N 1 1 343.814 3.555 50 0 EHAAMO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1ccccc1 ZINC000020828034 212175936 /nfs/dbraw/zinc/17/59/36/212175936.db2.gz JBLBJLSLNPIWIC-NRFANRHFSA-N 1 1 343.430 3.704 50 0 EHAAMO O[C@H]1C[C@@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2cccs2)C1 ZINC000244641289 243050808 /nfs/dbraw/zinc/05/08/08/243050808.db2.gz GMVZTGQPBDGPHH-YJLNNSPDSA-N 1 1 334.529 3.557 50 0 EHAAMO Fc1ccc(F)c(CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000020783651 212171242 /nfs/dbraw/zinc/17/12/42/212171242.db2.gz KBFBIOPKBPODKV-LJQANCHMSA-N 1 1 342.433 3.686 50 0 EHAAMO Fc1ccc(F)c(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000020783651 212171247 /nfs/dbraw/zinc/17/12/47/212171247.db2.gz KBFBIOPKBPODKV-LJQANCHMSA-N 1 1 342.433 3.686 50 0 EHAAMO O=C(Cc1cccc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020518217 212142929 /nfs/dbraw/zinc/14/29/29/212142929.db2.gz LQQFAFWQWRJZLV-UHFFFAOYSA-N 1 1 344.458 3.727 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@H](c1cccc(F)c1F)[NH2+]CC2 ZINC000020506995 212141668 /nfs/dbraw/zinc/14/16/68/212141668.db2.gz ZYLVZISPGHPFAC-IBGZPJMESA-N 1 1 333.378 3.997 50 0 biogenic,in-vitro EHAAMO C[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630239 244040968 /nfs/dbraw/zinc/04/09/68/244040968.db2.gz PGOVWNRZGZGMPF-QAPCUYQASA-N 1 1 333.439 3.807 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000020418551 212126730 /nfs/dbraw/zinc/12/67/30/212126730.db2.gz IPDOMMIDCIERJT-UHFFFAOYSA-N 1 1 337.467 3.962 50 0 EHAAMO C[C@H]1C[NH+](CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020167263 212108650 /nfs/dbraw/zinc/10/86/50/212108650.db2.gz OOVLVMWSMGXCRD-KBPBESRZSA-N 1 1 329.893 3.558 50 0 EHAAMO CCCCCOc1ccc([C@](O)(CCC)CC[NH+]2CCOCC2)cc1 ZINC000019855768 212076210 /nfs/dbraw/zinc/07/62/10/212076210.db2.gz CJULRBVWDUICRL-NRFANRHFSA-N 1 1 349.515 3.966 50 0 EHAAMO Cc1[nH+]ccn1CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000019837656 212073867 /nfs/dbraw/zinc/07/38/67/212073867.db2.gz IQIKHGRZWXQHQP-UHFFFAOYSA-N 1 1 335.436 3.879 50 0 EHAAMO C[C@H](C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077523856 216927650 /nfs/dbraw/zinc/92/76/50/216927650.db2.gz ZEQQIKNENORUMM-MRXNPFEDSA-N 1 1 330.520 3.686 50 0 EHAAMO OCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[N@H+]1C1CCCCC1 ZINC000019606434 212051552 /nfs/dbraw/zinc/05/15/52/212051552.db2.gz NDZOKVGGAJTEHX-KTBYTZPXSA-N 1 1 346.490 3.540 50 0 EHAAMO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 ZINC000012430717 211377902 /nfs/dbraw/zinc/37/79/02/211377902.db2.gz DUILLNOYQXWXND-AWEZNQCLSA-N 1 1 347.409 3.585 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 ZINC000012430717 211377905 /nfs/dbraw/zinc/37/79/05/211377905.db2.gz DUILLNOYQXWXND-AWEZNQCLSA-N 1 1 347.409 3.585 50 0 EHAAMO Cn1cc(C[N@@H+](C)CCO)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011947461 211274731 /nfs/dbraw/zinc/27/47/31/211274731.db2.gz NCNPIQZOXKMZRL-UHFFFAOYSA-N 1 1 327.472 3.559 50 0 EHAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cs1 ZINC000011956234 211274184 /nfs/dbraw/zinc/27/41/84/211274184.db2.gz TXUXAJWGQMOXQA-UHFFFAOYSA-N 1 1 348.512 3.565 50 0 EHAAMO OC[C@@]1(CC2CC2)CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000091536660 218019693 /nfs/dbraw/zinc/01/96/93/218019693.db2.gz IGEZMPUYYOVLNF-GOSISDBHSA-N 1 1 325.399 3.663 50 0 EHAAMO COCCC[C@]1(CO)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091678910 218047079 /nfs/dbraw/zinc/04/70/79/218047079.db2.gz UBNNXCKMYZHRJK-QGZVFWFLSA-N 1 1 345.405 3.707 50 0 EHAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000011666473 211232182 /nfs/dbraw/zinc/23/21/82/211232182.db2.gz SFROUKACHZPBCN-CQSZACIVSA-N 1 1 344.842 3.839 50 0 EHAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000011666473 211232185 /nfs/dbraw/zinc/23/21/85/211232185.db2.gz SFROUKACHZPBCN-CQSZACIVSA-N 1 1 344.842 3.839 50 0 EHAAMO OCc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891837 218083331 /nfs/dbraw/zinc/08/33/31/218083331.db2.gz MKIGOAUPRPFJOY-WMLDXEAASA-N 1 1 335.469 3.702 50 0 EHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000010340061 211167643 /nfs/dbraw/zinc/16/76/43/211167643.db2.gz OQLLYWLIHPTKFE-HNAYVOBHSA-N 1 1 326.415 3.840 50 0 EHAAMO c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093506802 218228420 /nfs/dbraw/zinc/22/84/20/218228420.db2.gz UZIRZIOHCYDMEX-TZIWHRDSSA-N 1 1 338.451 3.662 50 0 EHAAMO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)c1 ZINC000095420986 218362322 /nfs/dbraw/zinc/36/23/22/218362322.db2.gz HBQZGMYZPOWGDU-GFCCVEGCSA-N 1 1 332.831 3.559 50 0 EHAAMO CN1CCN(C[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421740 218364186 /nfs/dbraw/zinc/36/41/86/218364186.db2.gz MAVCMLXGHWZTOF-GOTSBHOMSA-N 1 1 349.522 3.642 50 0 EHAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)o1 ZINC000005025502 210365734 /nfs/dbraw/zinc/36/57/34/210365734.db2.gz DVKXJDMUYFFQED-HNNXBMFYSA-N 1 1 329.400 3.744 50 0 EHAAMO COc1cccc(C[NH2+]Cc2ccccc2Br)c1OC ZINC000004891680 210313563 /nfs/dbraw/zinc/31/35/63/210313563.db2.gz AYDOMIXGYJLDMY-UHFFFAOYSA-N 1 1 336.229 3.756 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000299773651 258085415 /nfs/dbraw/zinc/08/54/15/258085415.db2.gz GUNYVAQTTKTTFL-UHFFFAOYSA-N 1 1 327.831 3.817 50 0 EHAAMO Cc1cc(N2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)n2nccc2n1 ZINC000072477839 258064701 /nfs/dbraw/zinc/06/47/01/258064701.db2.gz NAYJMZIIKPDWHV-OAHLLOKOSA-N 1 1 346.438 3.606 50 0 EHAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299760422 258077425 /nfs/dbraw/zinc/07/74/25/258077425.db2.gz JXRZENHODHHWMY-KRWDZBQOSA-N 1 1 330.403 3.576 50 0 EHAAMO CCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299762171 258078591 /nfs/dbraw/zinc/07/85/91/258078591.db2.gz RUOMUPKKVBQLBN-BBWFWOEESA-N 1 1 327.428 3.689 50 0 EHAAMO Cn1ncnc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000181242640 534323495 /nfs/dbraw/zinc/32/34/95/534323495.db2.gz XZSWLTDWDSWDGB-CTNGQTDRSA-N 1 1 332.451 3.766 50 0 EHAAMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000030921163 563911744 /nfs/dbraw/zinc/91/17/44/563911744.db2.gz YOHBXZHYGMGYJQ-NSHDSACASA-N 1 1 336.233 3.731 50 0 EHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239645 563265026 /nfs/dbraw/zinc/26/50/26/563265026.db2.gz SSZGFUHBLYAGJB-HNNXBMFYSA-N 1 1 342.405 3.786 50 0 EHAAMO CN(C)C(=O)c1cccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000071909061 563571110 /nfs/dbraw/zinc/57/11/10/563571110.db2.gz KGHLUBNTLSWFQV-LJQANCHMSA-N 1 1 340.492 3.679 50 0 EHAAMO CN(C)C(=O)c1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000071909061 563571114 /nfs/dbraw/zinc/57/11/14/563571114.db2.gz KGHLUBNTLSWFQV-LJQANCHMSA-N 1 1 340.492 3.679 50 0 EHAAMO CCc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1 ZINC000064611122 563656153 /nfs/dbraw/zinc/65/61/53/563656153.db2.gz HKDJEXLALMEVOF-UHFFFAOYSA-N 1 1 345.446 3.783 50 0 EHAAMO CSCC[C@H](C)[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015064826 563774730 /nfs/dbraw/zinc/77/47/30/563774730.db2.gz SVUUCCCTDHFLLR-LBPRGKRZSA-N 1 1 346.452 3.570 50 0 EHAAMO CC[N@@H+](CCO)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000015073226 563776077 /nfs/dbraw/zinc/77/60/77/563776077.db2.gz DVNMTIPBQDNGGE-UHFFFAOYSA-N 1 1 349.478 3.970 50 0 EHAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(C)c1C ZINC000016310218 563808126 /nfs/dbraw/zinc/80/81/26/563808126.db2.gz DJAQVGWUBGBTFK-UHFFFAOYSA-N 1 1 341.451 3.888 50 0 EHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c(C)c1 ZINC000016420758 563810864 /nfs/dbraw/zinc/81/08/64/563810864.db2.gz AAAQJGDCIGPCCV-INIZCTEOSA-N 1 1 342.508 3.943 50 0 EHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c(C)c1 ZINC000016420758 563810867 /nfs/dbraw/zinc/81/08/67/563810867.db2.gz AAAQJGDCIGPCCV-INIZCTEOSA-N 1 1 342.508 3.943 50 0 EHAAMO CC[N@@H+](Cn1nc2ccccn2c1=S)C1C2CC3CC(C2)CC1C3 ZINC000032935464 563845196 /nfs/dbraw/zinc/84/51/96/563845196.db2.gz RVCKVZQPQMJMSX-UHFFFAOYSA-N 1 1 342.512 3.969 50 0 EHAAMO COC(C)(C)CCC[C@H](C)CC[NH2+]CCCCCN1CCOCC1 ZINC000032513712 563913823 /nfs/dbraw/zinc/91/38/23/563913823.db2.gz MOYVRQRQBIRQGU-IBGZPJMESA-N 1 1 342.568 3.700 50 0 EHAAMO Cc1csc2c1ncn(CC[C@H]1CCCC[N@H+]1C1CCCC1)c2=O ZINC000032580935 563914022 /nfs/dbraw/zinc/91/40/22/563914022.db2.gz BEVTTYDCKZYULS-MRXNPFEDSA-N 1 1 345.512 3.954 50 0 EHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2nccc3ccccc32)c1 ZINC000060322084 563928820 /nfs/dbraw/zinc/92/88/20/563928820.db2.gz IOOXXZCWRRDJDE-UHFFFAOYSA-N 1 1 333.435 3.617 50 0 EHAAMO Cc1nc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)s1 ZINC000269866615 563932627 /nfs/dbraw/zinc/93/26/27/563932627.db2.gz SSDJXCHSFBUJOK-WBVHZDCISA-N 1 1 341.480 3.516 50 0 EHAAMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000060361179 563935475 /nfs/dbraw/zinc/93/54/75/563935475.db2.gz KXVJPYDRKIKDHK-HNNXBMFYSA-N 1 1 342.405 3.690 50 0 EHAAMO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OC(F)F ZINC000058155923 563937986 /nfs/dbraw/zinc/93/79/86/563937986.db2.gz YKQCLKGXQTUWGH-UHFFFAOYSA-N 1 1 348.393 3.619 50 0 EHAAMO CCC[N@@H+](CCOc1ccccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000058173125 563938973 /nfs/dbraw/zinc/93/89/73/563938973.db2.gz RKVUWSWPEZVFTJ-INIZCTEOSA-N 1 1 344.430 3.944 50 0 EHAAMO COC(=O)CC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000058439207 563946484 /nfs/dbraw/zinc/94/64/84/563946484.db2.gz JRLHIJUVPZMSCO-UHFFFAOYSA-N 1 1 340.261 3.757 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C)c1 ZINC000059744602 563949307 /nfs/dbraw/zinc/94/93/07/563949307.db2.gz LVHQGMXFEAFZEM-VQTJNVASSA-N 1 1 325.452 3.880 50 0 EHAAMO CC(C)[C@H]1CN(C(=O)C(C)(C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071771073 563965649 /nfs/dbraw/zinc/96/56/49/563965649.db2.gz VNAMFUQIMZUMHW-GOSISDBHSA-N 1 1 334.479 3.931 50 0 EHAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2ccccc2-n2cccn2)c1 ZINC000077554003 563970355 /nfs/dbraw/zinc/97/03/55/563970355.db2.gz TZZIQUAFNWDOMV-IBGZPJMESA-N 1 1 335.455 3.514 50 0 EHAAMO COc1cc(F)c([C@H](C)[NH2+]Cc2cnc3onc(C)c3c2)cc1OC ZINC000585136819 563971933 /nfs/dbraw/zinc/97/19/33/563971933.db2.gz UGZAPVDNWCJYRY-JTQLQIEISA-N 1 1 345.374 3.538 50 0 EHAAMO CCCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(C)ncc2CC)C1 ZINC000095516416 563977336 /nfs/dbraw/zinc/97/73/36/563977336.db2.gz ZGRFQCKKDJTOKR-QGZVFWFLSA-N 1 1 327.476 3.728 50 0 EHAAMO Cc1ccc(NC[C@@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466237 563998224 /nfs/dbraw/zinc/99/82/24/563998224.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 1 1 328.460 3.610 50 0 EHAAMO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCn3nc(C)nc31)CCCS2 ZINC000188227820 564001913 /nfs/dbraw/zinc/00/19/13/564001913.db2.gz MHKJMHHNZMZYBE-JKSUJKDBSA-N 1 1 344.484 3.647 50 0 EHAAMO C[C@@H]1CC[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H]2CCCC[C@@H]12 ZINC000062640478 564006969 /nfs/dbraw/zinc/00/69/69/564006969.db2.gz DOCLKQMVODZZPI-XOKHGSTOSA-N 1 1 330.501 3.944 50 0 EHAAMO Cc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc2n1 ZINC000018232674 564018899 /nfs/dbraw/zinc/01/88/99/564018899.db2.gz KHFFCRCYYPDZGI-UHFFFAOYSA-N 1 1 347.462 3.795 50 0 EHAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047226732 564025935 /nfs/dbraw/zinc/02/59/35/564025935.db2.gz HWKYAZIXSGNSND-NHCUHLMSSA-N 1 1 334.463 3.639 50 0 EHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000108483351 564028272 /nfs/dbraw/zinc/02/82/72/564028272.db2.gz GADHFPKRFSFWLG-XHSDSOJGSA-N 1 1 348.512 3.575 50 0 EHAAMO O=C(NCC1(c2ccccc2Cl)CCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000225627492 564048631 /nfs/dbraw/zinc/04/86/31/564048631.db2.gz FKJCMVNBIPIHEQ-KRWDZBQOSA-N 1 1 332.875 3.505 50 0 EHAAMO c1ccc(-c2n[nH]c3c2C[N@@H+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000015065230 564053201 /nfs/dbraw/zinc/05/32/01/564053201.db2.gz ZBZLSGYJBONCGM-UHFFFAOYSA-N 1 1 331.419 3.570 50 0 EHAAMO Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cn1 ZINC000084258399 564067536 /nfs/dbraw/zinc/06/75/36/564067536.db2.gz VZHZINCKBNHBBH-SFHVURJKSA-N 1 1 339.464 3.582 50 0 EHAAMO Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cn1 ZINC000084258399 564067537 /nfs/dbraw/zinc/06/75/37/564067537.db2.gz VZHZINCKBNHBBH-SFHVURJKSA-N 1 1 339.464 3.582 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)o1 ZINC000015860155 564076926 /nfs/dbraw/zinc/07/69/26/564076926.db2.gz JQGXOGYSUJDUKU-VQBCORBOSA-N 1 1 330.472 3.523 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)oc1C ZINC000075132473 564080517 /nfs/dbraw/zinc/08/05/17/564080517.db2.gz CKWYWWIZDMQZCU-MRXNPFEDSA-N 1 1 340.427 3.930 50 0 EHAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc(-c2ccco2)oc1C ZINC000075132473 564080518 /nfs/dbraw/zinc/08/05/18/564080518.db2.gz CKWYWWIZDMQZCU-MRXNPFEDSA-N 1 1 340.427 3.930 50 0 EHAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CCCc2cccc(F)c21 ZINC000013010496 564086533 /nfs/dbraw/zinc/08/65/33/564086533.db2.gz SLZYBPRTHPJCBI-HNNXBMFYSA-N 1 1 326.415 3.798 50 0 EHAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCCc2cccc(F)c21 ZINC000013010496 564086534 /nfs/dbraw/zinc/08/65/34/564086534.db2.gz SLZYBPRTHPJCBI-HNNXBMFYSA-N 1 1 326.415 3.798 50 0 EHAAMO CN(C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000239637053 564088177 /nfs/dbraw/zinc/08/81/77/564088177.db2.gz BIOFVXQBHPEJCN-OWZKRDHZSA-N 1 1 336.483 3.755 50 0 EHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000242389227 564088526 /nfs/dbraw/zinc/08/85/26/564088526.db2.gz ZVIKUQAKSZZNHK-CJNGLKHVSA-N 1 1 332.444 3.902 50 0 EHAAMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000089420459 564090533 /nfs/dbraw/zinc/09/05/33/564090533.db2.gz UXMSTPQEIWXNHT-MRXNPFEDSA-N 1 1 343.496 3.725 50 0 EHAAMO CCc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)o1 ZINC000426422916 564093654 /nfs/dbraw/zinc/09/36/54/564093654.db2.gz MOJGIDMMKWMEGU-YZGWKJHDSA-N 1 1 333.472 3.781 50 0 EHAAMO CCc1ccc(CNC(=O)C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064817964 564096428 /nfs/dbraw/zinc/09/64/28/564096428.db2.gz CIYKXOKZLFMWRI-UHFFFAOYSA-N 1 1 334.463 3.698 50 0 EHAAMO Cc1ccccc1CNC(=O)C1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000064818093 564096500 /nfs/dbraw/zinc/09/65/00/564096500.db2.gz ZTSINBZSNKKEDW-UHFFFAOYSA-N 1 1 338.426 3.583 50 0 EHAAMO c1cc(C[N@@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cs1 ZINC000065287790 564104271 /nfs/dbraw/zinc/10/42/71/564104271.db2.gz POMDGEBZSOSOMP-GOSISDBHSA-N 1 1 338.480 3.768 50 0 EHAAMO CC(C)C[NH+]1CCC(N[C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840169 564114151 /nfs/dbraw/zinc/11/41/51/564114151.db2.gz MZUYBCUWNXCVQA-QGZVFWFLSA-N 1 1 326.488 3.643 50 0 EHAAMO CC(C)CN1CCC([NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840169 564114152 /nfs/dbraw/zinc/11/41/52/564114152.db2.gz MZUYBCUWNXCVQA-QGZVFWFLSA-N 1 1 326.488 3.643 50 0 EHAAMO C[C@@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1 ZINC000089913635 564115250 /nfs/dbraw/zinc/11/52/50/564115250.db2.gz HISGDSNTYICREI-TZMCWYRMSA-N 1 1 343.475 3.669 50 0 EHAAMO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000076094932 564115712 /nfs/dbraw/zinc/11/57/12/564115712.db2.gz RYFWCESXZLRZSE-MAUKXSAKSA-N 1 1 336.439 3.638 50 0 EHAAMO Cc1nc(-c2cccc(C(=O)O[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cs1 ZINC000252502975 564119866 /nfs/dbraw/zinc/11/98/66/564119866.db2.gz UWDUJTYKGHHOSE-IRXDYDNUSA-N 1 1 342.464 3.902 50 0 EHAAMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252511492 564120093 /nfs/dbraw/zinc/12/00/93/564120093.db2.gz HHGVACGMAFAVDY-MUJYYYPQSA-N 1 1 348.487 3.678 50 0 EHAAMO Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000253418608 564130891 /nfs/dbraw/zinc/13/08/91/564130891.db2.gz XPBSDKRARGPLKH-CQSZACIVSA-N 1 1 348.397 3.506 50 0 EHAAMO Clc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c2c(c1)COCO2 ZINC000253419795 564131030 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/nfs/dbraw/zinc/95/80/48/563958048.db2.gz RCMGKCOSOASWCU-UHFFFAOYSA-N 1 1 341.480 3.723 50 0 EHAAMO O=C(CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000065371158 563958361 /nfs/dbraw/zinc/95/83/61/563958361.db2.gz KTGQYVAGBXAITC-SFHVURJKSA-N 1 1 330.403 3.652 50 0 EHAAMO c1ccc(CC[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000065406352 563960209 /nfs/dbraw/zinc/96/02/09/563960209.db2.gz CPROQOGLMXKKSQ-GOSISDBHSA-N 1 1 334.423 3.554 50 0 EHAAMO CC(C)[N@@H+](C)CCC(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071721542 563964798 /nfs/dbraw/zinc/96/47/98/563964798.db2.gz UGSNNBONQVEZGJ-QGZVFWFLSA-N 1 1 334.479 3.727 50 0 EHAAMO c1cnn(-c2ccccc2C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000071763245 563965458 /nfs/dbraw/zinc/96/54/58/563965458.db2.gz WIFMYZHFSDQBMD-NRFANRHFSA-N 1 1 347.462 3.706 50 0 EHAAMO c1cnn(-c2ccccc2C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000071763245 563965459 /nfs/dbraw/zinc/96/54/59/563965459.db2.gz WIFMYZHFSDQBMD-NRFANRHFSA-N 1 1 347.462 3.706 50 0 EHAAMO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000097033508 563966853 /nfs/dbraw/zinc/96/68/53/563966853.db2.gz RCDCCFZVPAUZOM-MRVPVSSYSA-N 1 1 341.242 3.623 50 0 EHAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccnc3N)C2)cc1 ZINC000077422721 563969562 /nfs/dbraw/zinc/96/95/62/563969562.db2.gz IBMLJBQTCMIWDV-KRWDZBQOSA-N 1 1 347.466 3.742 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077469826 563969832 /nfs/dbraw/zinc/96/98/32/563969832.db2.gz WVYKVDUOYMFYSA-HNNXBMFYSA-N 1 1 334.891 3.748 50 0 EHAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077541746 563970256 /nfs/dbraw/zinc/97/02/56/563970256.db2.gz FOYPLVUPKVKTKO-SFHVURJKSA-N 1 1 349.482 3.888 50 0 EHAAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2nc(C)ncc2CC)C1 ZINC000095516417 563977314 /nfs/dbraw/zinc/97/73/14/563977314.db2.gz ZGRFQCKKDJTOKR-KRWDZBQOSA-N 1 1 327.476 3.728 50 0 EHAAMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000248066674 563995114 /nfs/dbraw/zinc/99/51/14/563995114.db2.gz RHEBITLETBOUKH-CRAIPNDOSA-N 1 1 326.440 3.571 50 0 EHAAMO CCCCN(Cc1ccc(C)s1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426596424 563996349 /nfs/dbraw/zinc/99/63/49/563996349.db2.gz CSNMLIAAFQLJSW-MRXNPFEDSA-N 1 1 337.533 3.853 50 0 EHAAMO CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272708339 564007470 /nfs/dbraw/zinc/00/74/70/564007470.db2.gz BZZQQXKWJHKOQG-QFBILLFUSA-N 1 1 337.467 3.968 50 0 EHAAMO Cc1nnc([C@@H](C)[N@H+](C)CCc2ccc(Br)cc2)s1 ZINC000273182783 564007676 /nfs/dbraw/zinc/00/76/76/564007676.db2.gz JZGWAHRHGWGXKQ-SNVBAGLBSA-N 1 1 340.290 3.845 50 0 EHAAMO Cc1nnc([C@@H](C)[N@@H+](C)CCc2ccc(Br)cc2)s1 ZINC000273182783 564007677 /nfs/dbraw/zinc/00/76/77/564007677.db2.gz JZGWAHRHGWGXKQ-SNVBAGLBSA-N 1 1 340.290 3.845 50 0 EHAAMO COc1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC000000485821 564016966 /nfs/dbraw/zinc/01/69/66/564016966.db2.gz VNFDRPIDPODPFC-KRWDZBQOSA-N 1 1 337.379 3.562 50 0 biogenic EHAAMO CC(C)c1nn(C)cc1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000048782918 564032274 /nfs/dbraw/zinc/03/22/74/564032274.db2.gz RDKHQFVWCYMOAP-UHFFFAOYSA-N 1 1 326.469 3.957 50 0 EHAAMO Cc1ccc2nc([C@@H](C)NC(=O)CCC[NH+]3CCCCCC3)[nH]c2c1 ZINC000221334329 564036145 /nfs/dbraw/zinc/03/61/45/564036145.db2.gz GXZKTYAFUYWPLV-MRXNPFEDSA-N 1 1 342.487 3.705 50 0 EHAAMO C[N@@H+](CCc1nccs1)Cc1ccc(Sc2ccccn2)o1 ZINC000225639171 564048819 /nfs/dbraw/zinc/04/88/19/564048819.db2.gz OCENEXGSCOEOTH-UHFFFAOYSA-N 1 1 331.466 3.957 50 0 EHAAMO O=C1CC[N@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1Cl ZINC000014987155 564050918 /nfs/dbraw/zinc/05/09/18/564050918.db2.gz ZYKWRMYMQNBVKK-MRXNPFEDSA-N 1 1 332.875 3.731 50 0 EHAAMO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)c1 ZINC000084074671 564066178 /nfs/dbraw/zinc/06/61/78/564066178.db2.gz BAGHGPXHJCQCQK-OAQYLSRUSA-N 1 1 336.479 3.893 50 0 EHAAMO C[N@H+]1CCN(C(=O)C2(c3cccs3)CCCC2)C2(CCCC2)C1 ZINC000085558065 564074005 /nfs/dbraw/zinc/07/40/05/564074005.db2.gz BLKZWXDPCIKMPV-UHFFFAOYSA-N 1 1 332.513 3.647 50 0 EHAAMO COCc1noc([C@@H](C)[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185798284 564074851 /nfs/dbraw/zinc/07/48/51/564074851.db2.gz ZTQNHMDLVXOTTE-GFCCVEGCSA-N 1 1 335.835 3.810 50 0 EHAAMO COc1ccccc1NC(=O)C1=CC[N@H+](Cc2ccccc2F)CC1 ZINC000015861014 564076902 /nfs/dbraw/zinc/07/69/02/564076902.db2.gz MMFVGTIXHXIWEY-UHFFFAOYSA-N 1 1 340.398 3.605 50 0 EHAAMO COc1ccccc1NC(=O)C1=CC[N@@H+](Cc2ccccc2F)CC1 ZINC000015861014 564076903 /nfs/dbraw/zinc/07/69/03/564076903.db2.gz MMFVGTIXHXIWEY-UHFFFAOYSA-N 1 1 340.398 3.605 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000006246601 564083215 /nfs/dbraw/zinc/08/32/15/564083215.db2.gz NWSVPYWBKZKYPS-LBPRGKRZSA-N 1 1 345.484 3.772 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CCCc2cccc(F)c21 ZINC000013010494 564086528 /nfs/dbraw/zinc/08/65/28/564086528.db2.gz SLZYBPRTHPJCBI-OAHLLOKOSA-N 1 1 326.415 3.798 50 0 EHAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCCc2cccc(F)c21 ZINC000013010494 564086529 /nfs/dbraw/zinc/08/65/29/564086529.db2.gz SLZYBPRTHPJCBI-OAHLLOKOSA-N 1 1 326.415 3.798 50 0 EHAAMO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(C[NH3+])n1 ZINC000090930927 564087094 /nfs/dbraw/zinc/08/70/94/564087094.db2.gz QBJMFTXORFWNMQ-QMMMGPOBSA-N 1 1 344.267 3.742 50 0 EHAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000241126105 564088293 /nfs/dbraw/zinc/08/82/93/564088293.db2.gz JJOBIIVVFDDVKW-PBHICJAKSA-N 1 1 344.480 3.599 50 0 EHAAMO Cc1ccc(-c2nc(C[NH2+]C[C@H]3COc4ccccc4O3)co2)cc1 ZINC000075572258 564089594 /nfs/dbraw/zinc/08/95/94/564089594.db2.gz FQQDSCORFZSULW-KRWDZBQOSA-N 1 1 336.391 3.580 50 0 EHAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@@H+](CC1CCC1)C2 ZINC000426423097 564093734 /nfs/dbraw/zinc/09/37/34/564093734.db2.gz QXUONFKFARZUBU-FQEVSTJZSA-N 1 1 348.437 3.579 50 0 EHAAMO Cc1noc([C@@H]2CCC[N@@H+](CCSc3ccc(C)c(C)c3)C2)n1 ZINC000064638681 564094604 /nfs/dbraw/zinc/09/46/04/564094604.db2.gz ARWPTCPKRYJNHH-MRXNPFEDSA-N 1 1 331.485 3.967 50 0 EHAAMO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000006719477 564096319 /nfs/dbraw/zinc/09/63/19/564096319.db2.gz IFNHLOQJJALAGF-OAHLLOKOSA-N 1 1 326.396 3.675 50 0 EHAAMO CC(C)c1nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2o1 ZINC000064968360 564098730 /nfs/dbraw/zinc/09/87/30/564098730.db2.gz SGSPFNQGAUSNTO-OAHLLOKOSA-N 1 1 343.471 3.946 50 0 EHAAMO CC(C)c1nc2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2o1 ZINC000064968378 564098744 /nfs/dbraw/zinc/09/87/44/564098744.db2.gz ZNPPQVGPJFZBHL-HNNXBMFYSA-N 1 1 343.471 3.803 50 0 EHAAMO CC1(C)C[C@H](Nc2ccn(CC(F)F)n2)C[N@H+]1Cc1ccccc1 ZINC000090189063 564116442 /nfs/dbraw/zinc/11/64/42/564116442.db2.gz VKQDEXMOVDDYLR-HNNXBMFYSA-N 1 1 334.414 3.613 50 0 EHAAMO C/C=C/c1ccc(OCCOCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000002823209 564116971 /nfs/dbraw/zinc/11/69/71/564116971.db2.gz PHCMBIKQAUYXTM-UKINESCASA-N 1 1 333.472 3.856 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000252477852 564119097 /nfs/dbraw/zinc/11/90/97/564119097.db2.gz WLJWOZWZZKPKTJ-QZTJIDSGSA-N 1 1 327.497 3.869 50 0 EHAAMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000252477852 564119098 /nfs/dbraw/zinc/11/90/98/564119098.db2.gz WLJWOZWZZKPKTJ-QZTJIDSGSA-N 1 1 327.497 3.869 50 0 EHAAMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000252477852 564119099 /nfs/dbraw/zinc/11/90/99/564119099.db2.gz WLJWOZWZZKPKTJ-QZTJIDSGSA-N 1 1 327.497 3.869 50 0 EHAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2Cl)C1 ZINC000252498774 564119808 /nfs/dbraw/zinc/11/98/08/564119808.db2.gz RKTXRTXNOHCIOJ-CYBMUJFWSA-N 1 1 338.879 3.676 50 0 EHAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500758 564119840 /nfs/dbraw/zinc/11/98/40/564119840.db2.gz TVALGJWBVOLPHO-YTQUADARSA-N 1 1 346.540 3.755 50 0 EHAAMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000252513853 564120229 /nfs/dbraw/zinc/12/02/29/564120229.db2.gz AIXVKPVRVHMNFH-BHIYHBOVSA-N 1 1 325.456 3.630 50 0 EHAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccccc3)ccc2c1 ZINC000007926546 564125514 /nfs/dbraw/zinc/12/55/14/564125514.db2.gz PZEDVBBKKOWUDC-UHFFFAOYSA-N 1 1 334.419 3.919 50 0 EHAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccccc3)ccc2c1 ZINC000007926546 564125515 /nfs/dbraw/zinc/12/55/15/564125515.db2.gz PZEDVBBKKOWUDC-UHFFFAOYSA-N 1 1 334.419 3.919 50 0 EHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000058883655 564129465 /nfs/dbraw/zinc/12/94/65/564129465.db2.gz UJOWPJBNOMZPGT-SCTDSRPQSA-N 1 1 326.484 3.582 50 0 EHAAMO CCCc1sc(C)nc1C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253412925 564130697 /nfs/dbraw/zinc/13/06/97/564130697.db2.gz SMFKKURWDOXJIO-JKSUJKDBSA-N 1 1 349.544 3.741 50 0 biogenic EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531175 564133031 /nfs/dbraw/zinc/13/30/31/564133031.db2.gz NDAWUPLIPPNPGL-UTNDXIFNSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531175 564133032 /nfs/dbraw/zinc/13/30/32/564133032.db2.gz NDAWUPLIPPNPGL-UTNDXIFNSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000095984300 564143852 /nfs/dbraw/zinc/14/38/52/564143852.db2.gz KWHHUWREPKYMRP-ZDUSSCGKSA-N 1 1 349.394 3.675 50 0 EHAAMO CC(C)(C)[C@H]([NH2+]Cn1ncc2ccccc2c1=O)c1ccc(F)cc1 ZINC000057087731 564153246 /nfs/dbraw/zinc/15/32/46/564153246.db2.gz YTXFDHCTWUEAFZ-GOSISDBHSA-N 1 1 339.414 3.870 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000003279663 564156912 /nfs/dbraw/zinc/15/69/12/564156912.db2.gz MQPQWOJZPIFWMQ-UHFFFAOYSA-N 1 1 326.387 3.881 50 0 EHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1csc(CCC(C)C)n1 ZINC000229561303 564161118 /nfs/dbraw/zinc/16/11/18/564161118.db2.gz FUWMITCYSFAKQE-QZTJIDSGSA-N 1 1 349.544 3.707 50 0 EHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1csc(CCC(C)C)n1 ZINC000229561303 564161119 /nfs/dbraw/zinc/16/11/19/564161119.db2.gz FUWMITCYSFAKQE-QZTJIDSGSA-N 1 1 349.544 3.707 50 0 EHAAMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc2ccccc12 ZINC000069655618 564171179 /nfs/dbraw/zinc/17/11/79/564171179.db2.gz DUUJPMHSFGDDMC-UHFFFAOYSA-N 1 1 347.462 3.988 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000069777377 564172165 /nfs/dbraw/zinc/17/21/65/564172165.db2.gz JLTYLGJBQZLBID-KFWWJZLASA-N 1 1 343.393 3.724 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000069869967 564172534 /nfs/dbraw/zinc/17/25/34/564172534.db2.gz YOACYIMJWBLZJL-OLZOCXBDSA-N 1 1 347.509 3.570 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000069973312 564172988 /nfs/dbraw/zinc/17/29/88/564172988.db2.gz UNYSRXPSVHOHJE-UHFFFAOYSA-N 1 1 346.381 3.777 50 0 EHAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2nc(-c3ccco3)oc2C)n1 ZINC000070004178 564173238 /nfs/dbraw/zinc/17/32/38/564173238.db2.gz BYDIHHBSBVACLI-INIZCTEOSA-N 1 1 340.427 3.721 50 0 EHAAMO CCc1nc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cs1 ZINC000071831352 564175722 /nfs/dbraw/zinc/17/57/22/564175722.db2.gz VBWIBBNIIAUEKX-ZDUSSCGKSA-N 1 1 329.469 3.683 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000071870393 564176199 /nfs/dbraw/zinc/17/61/99/564176199.db2.gz FUPRUKGYGLGSHD-SJORKVTESA-N 1 1 343.858 3.587 50 0 EHAAMO Clc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2Cn2cccn2)co1 ZINC000071875738 564176235 /nfs/dbraw/zinc/17/62/35/564176235.db2.gz WDVUDNLRJXKLLF-HNNXBMFYSA-N 1 1 342.830 3.856 50 0 EHAAMO Clc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2Cn2cccn2)co1 ZINC000071875738 564176236 /nfs/dbraw/zinc/17/62/36/564176236.db2.gz WDVUDNLRJXKLLF-HNNXBMFYSA-N 1 1 342.830 3.856 50 0 EHAAMO Cc1cc(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)c2ccccc2n1 ZINC000077173874 564176631 /nfs/dbraw/zinc/17/66/31/564176631.db2.gz NSWKBJOTKWNJTI-UHFFFAOYSA-N 1 1 339.483 3.624 50 0 EHAAMO Cc1ccc(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)[nH+]c1 ZINC000194163527 1023541150 /nfs/dbraw/zinc/54/11/50/1023541150.db2.gz FQUDCHXIJVZMKP-UHFFFAOYSA-N 1 1 349.434 3.669 50 0 EHAAMO C[N@@H+](Cc1ccco1)C1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000199306994 1026355330 /nfs/dbraw/zinc/35/53/30/1026355330.db2.gz RFWDCPJKSMNOTO-UHFFFAOYSA-N 1 1 336.439 3.771 50 0 EHAAMO C[N@@H+](CCOC(=O)c1cc(Br)ccc1Cl)C(C)(C)C ZINC000002926818 1027270319 /nfs/dbraw/zinc/27/03/19/1027270319.db2.gz LZDBNMRHOHBUEC-UHFFFAOYSA-N 1 1 348.668 3.990 50 0 EHAAMO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(O)c(Cl)c1 ZINC000047538227 1041710243 /nfs/dbraw/zinc/71/02/43/1041710243.db2.gz WPGLNADXDPRZPI-UHFFFAOYSA-N 1 1 330.815 3.894 50 0 EHAAMO Fc1ccc(-c2cc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)on2)cc1 ZINC000367861352 1127436343 /nfs/dbraw/zinc/43/63/43/1127436343.db2.gz AFUPJXNKUNUWCV-QGZVFWFLSA-N 1 1 339.370 3.529 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccn1 ZINC000527537803 1127542757 /nfs/dbraw/zinc/54/27/57/1127542757.db2.gz GSFZBAHXONIWLS-SFHVURJKSA-N 1 1 333.439 3.555 50 0 EHAAMO C[C@H]([NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1nnc2n1CCCC2 ZINC000527863079 1127601657 /nfs/dbraw/zinc/60/16/57/1127601657.db2.gz IQXGXLNEZVWHIW-BONVTDFDSA-N 1 1 334.826 3.745 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)C1 ZINC000253606309 1128622343 /nfs/dbraw/zinc/62/23/43/1128622343.db2.gz FUSUFTDUTMLTCZ-PVAVHDDUSA-N 1 1 341.430 3.552 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000253606307 1128622431 /nfs/dbraw/zinc/62/24/31/1128622431.db2.gz FUSUFTDUTMLTCZ-HYVNUMGLSA-N 1 1 341.430 3.552 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)[N@H+](C)Cc1cccs1 ZINC000007845980 1123862416 /nfs/dbraw/zinc/86/24/16/1123862416.db2.gz MDNCORLJMQCMFK-SECBINFHSA-N 1 1 328.359 3.624 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)[N@@H+](C)Cc1cccs1 ZINC000007845980 1123862418 /nfs/dbraw/zinc/86/24/18/1123862418.db2.gz MDNCORLJMQCMFK-SECBINFHSA-N 1 1 328.359 3.624 50 0 EHAAMO O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000828873360 1131445488 /nfs/dbraw/zinc/44/54/88/1131445488.db2.gz CWVOPQJBEVJOGH-BWTSREIZSA-N 1 1 345.446 3.785 50 0 EHAAMO COCCn1c(C)cnc1C[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000575317571 1131541639 /nfs/dbraw/zinc/54/16/39/1131541639.db2.gz NVEDWUHMBKAWDB-HXUWFJFHSA-N 1 1 341.499 3.601 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)CC3CCCCC3)C2)n1CC1CC1 ZINC000581805742 1132366919 /nfs/dbraw/zinc/36/69/19/1132366919.db2.gz MHZHQNHUFPESFV-IBGZPJMESA-N 1 1 343.515 3.963 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000581806516 1132368832 /nfs/dbraw/zinc/36/88/32/1132368832.db2.gz RLIGDRLWBGRNNF-HNNXBMFYSA-N 1 1 344.434 3.837 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)NCC(C)C)n1C1CCCCCCC1 ZINC000581816336 1132372637 /nfs/dbraw/zinc/37/26/37/1132372637.db2.gz UHRHJIKTTMVWGE-UHFFFAOYSA-N 1 1 334.508 3.975 50 0 EHAAMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cnc3ccccc3n2)cc1OC ZINC000585094287 1136995515 /nfs/dbraw/zinc/99/55/15/1136995515.db2.gz DJPQMQQZWYYAHL-GFCCVEGCSA-N 1 1 341.386 3.637 50 0 EHAAMO O=c1c2cc(F)ccc2ncn1CC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000044632603 1137417134 /nfs/dbraw/zinc/41/71/34/1137417134.db2.gz KJEIBGGVRSWRQL-QGZVFWFLSA-N 1 1 343.446 3.723 50 0 EHAAMO FC(F)(F)c1cccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000193154168 1137457447 /nfs/dbraw/zinc/45/74/47/1137457447.db2.gz PVDKDXXPEDHWIF-NSHDSACASA-N 1 1 334.301 3.682 50 0 EHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)Cc1ccccc1C(F)(F)F ZINC000952973262 1137484563 /nfs/dbraw/zinc/48/45/63/1137484563.db2.gz GLSDCWCNEVWWAF-UHFFFAOYSA-N 1 1 342.405 3.581 50 0 EHAAMO Cc1n[nH]c(C)c1CNC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000952989317 1137485779 /nfs/dbraw/zinc/48/57/79/1137485779.db2.gz UPYJTIPEFOVYRF-HXUWFJFHSA-N 1 1 326.488 3.733 50 0 EHAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCCSCc1ccccc1Cl ZINC000097637918 219043302 /nfs/dbraw/zinc/04/33/02/219043302.db2.gz JBNKCKHKUOHWQR-INIZCTEOSA-N 1 1 340.920 3.564 50 0 EHAAMO c1ccc2sc(NCc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000052429137 214128587 /nfs/dbraw/zinc/12/85/87/214128587.db2.gz MROMANKPCYNLDD-UHFFFAOYSA-N 1 1 339.464 3.741 50 0 EHAAMO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055072525 214269164 /nfs/dbraw/zinc/26/91/64/214269164.db2.gz SGOJFBPXUXDSHF-MRXNPFEDSA-N 1 1 333.476 3.621 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055072525 214269166 /nfs/dbraw/zinc/26/91/66/214269166.db2.gz SGOJFBPXUXDSHF-MRXNPFEDSA-N 1 1 333.476 3.621 50 0 EHAAMO OCCC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055327618 214307792 /nfs/dbraw/zinc/30/77/92/214307792.db2.gz XOHJIUFPBCEAKB-UHFFFAOYSA-N 1 1 345.443 3.662 50 0 EHAAMO CC(C)n1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000055401384 214317976 /nfs/dbraw/zinc/31/79/76/214317976.db2.gz SPPUJGYDMBFAGR-IBGZPJMESA-N 1 1 331.435 3.784 50 0 EHAAMO CC(C)n1cc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000055401384 214317979 /nfs/dbraw/zinc/31/79/79/214317979.db2.gz SPPUJGYDMBFAGR-IBGZPJMESA-N 1 1 331.435 3.784 50 0 EHAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000055403210 214319549 /nfs/dbraw/zinc/31/95/49/214319549.db2.gz RWYYTDBXSANMHA-AWEZNQCLSA-N 1 1 326.469 3.905 50 0 EHAAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000055413557 214321415 /nfs/dbraw/zinc/32/14/15/214321415.db2.gz RFHLWIUMAJJWIW-AWEZNQCLSA-N 1 1 331.441 3.504 50 0 EHAAMO CC(C)c1ccccc1OCCOC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000004279093 210159522 /nfs/dbraw/zinc/15/95/22/210159522.db2.gz YXDQQRCSNQVCON-OTWHNJEPSA-N 1 1 349.515 3.829 50 0 EHAAMO COc1ccc(OC)c(NC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000004040501 210106114 /nfs/dbraw/zinc/10/61/14/210106114.db2.gz NYTLJLVMWQZSTJ-WMLDXEAASA-N 1 1 348.443 3.517 50 0 biogenic EHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1ccccc1 ZINC000003999019 210097471 /nfs/dbraw/zinc/09/74/71/210097471.db2.gz ZFZIIGPUWLXOFS-MJGOQNOKSA-N 1 1 337.492 4.000 50 0 biogenic EHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000003347287 210014546 /nfs/dbraw/zinc/01/45/46/210014546.db2.gz HCKJSDBRVZYKMK-LJQANCHMSA-N 1 1 334.419 3.979 50 0 EHAAMO O[C@@H](C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067675693 215181572 /nfs/dbraw/zinc/18/15/72/215181572.db2.gz APMWNTFBIQGZAD-SFHVURJKSA-N 1 1 338.382 3.572 50 0 EHAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H]1CCOC1)CCO2 ZINC000067712866 215190413 /nfs/dbraw/zinc/19/04/13/215190413.db2.gz BYFNJFAWBSZCFA-MRXNPFEDSA-N 1 1 339.435 3.599 50 0 EHAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)cc1 ZINC000036102223 213066947 /nfs/dbraw/zinc/06/69/47/213066947.db2.gz GFFXSDMZJVOFCZ-IBGZPJMESA-N 1 1 343.467 3.654 50 0 EHAAMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCC(C)C)c1 ZINC000036098660 213066017 /nfs/dbraw/zinc/06/60/17/213066017.db2.gz JNMBAOPCBXWGAP-LJQANCHMSA-N 1 1 331.456 3.624 50 0 EHAAMO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C2CC2)c1 ZINC000036098822 213065912 /nfs/dbraw/zinc/06/59/12/213065912.db2.gz QLOGVRUFOYEYKI-FQEVSTJZSA-N 1 1 325.452 3.708 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)o1 ZINC000036097938 213065637 /nfs/dbraw/zinc/06/56/37/213065637.db2.gz HHDKOGIWZFVWBV-GOSISDBHSA-N 1 1 349.446 3.905 50 0 EHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 ZINC000036093577 213063129 /nfs/dbraw/zinc/06/31/29/213063129.db2.gz LDTFDSOEKZQFEV-MVGZEHJDSA-N 1 1 325.437 3.506 50 0 EHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 ZINC000036093577 213063133 /nfs/dbraw/zinc/06/31/33/213063133.db2.gz LDTFDSOEKZQFEV-MVGZEHJDSA-N 1 1 325.437 3.506 50 0 EHAAMO CC(C)=CC[N@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072122254 216015201 /nfs/dbraw/zinc/01/52/01/216015201.db2.gz HWTGXCFWTGTZKN-VAMGGRTRSA-N 1 1 332.438 3.793 50 0 EHAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](CCc3cccc(F)c3)C2)cc1=O ZINC000072132102 216021881 /nfs/dbraw/zinc/02/18/81/216021881.db2.gz PUCMBIXBZAKZHJ-MRXNPFEDSA-N 1 1 344.430 3.780 50 0 EHAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](OCc3ccccn3)C2)cc1 ZINC000072138943 216026369 /nfs/dbraw/zinc/02/63/69/216026369.db2.gz HAHOWUKDEQYWIH-LWQICCLCSA-N 1 1 338.451 3.785 50 0 EHAAMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000072153246 216042465 /nfs/dbraw/zinc/04/24/65/216042465.db2.gz YIZSDYLXVDLVNH-QGZVFWFLSA-N 1 1 338.451 3.956 50 0 EHAAMO CSc1ccc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)cc1 ZINC000072162690 216052051 /nfs/dbraw/zinc/05/20/51/216052051.db2.gz UIQWCJLSCFPRKU-SFHVURJKSA-N 1 1 328.481 3.985 50 0 EHAAMO Cc1[nH+]ccn1CC[C@@H](Nc1cc(C)nc2ccnn21)c1ccccc1 ZINC000072421468 216210385 /nfs/dbraw/zinc/21/03/85/216210385.db2.gz JJQRKRDTWCZRSU-GOSISDBHSA-N 1 1 346.438 3.786 50 0 EHAAMO Cc1cc(NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)n2nccc2n1 ZINC000072428702 216220768 /nfs/dbraw/zinc/22/07/68/216220768.db2.gz JSQLFNQDFLYENW-UHFFFAOYSA-N 1 1 334.427 3.576 50 0 EHAAMO CCCc1ncc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072435886 216231488 /nfs/dbraw/zinc/23/14/88/216231488.db2.gz HTHYNLBMMHGXGM-MRXNPFEDSA-N 1 1 343.446 3.859 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215308876 241117796 /nfs/dbraw/zinc/11/77/96/241117796.db2.gz FQZAYLLIESGHNE-AWEZNQCLSA-N 1 1 334.847 3.538 50 0 EHAAMO Cc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)C[C@@H]1c1cccs1 ZINC000227150458 242120606 /nfs/dbraw/zinc/12/06/06/242120606.db2.gz QWCOJHPPWYMUAL-GJZGRUSLSA-N 1 1 329.469 3.523 50 0 EHAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000229506722 242169130 /nfs/dbraw/zinc/16/91/30/242169130.db2.gz UIGAIEDEDLGRPM-APWZRJJASA-N 1 1 331.481 3.771 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229719883 242195158 /nfs/dbraw/zinc/19/51/58/242195158.db2.gz AKICSUFDXFIJCR-UKRRQHHQSA-N 1 1 330.378 3.781 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229719883 242195163 /nfs/dbraw/zinc/19/51/63/242195163.db2.gz AKICSUFDXFIJCR-UKRRQHHQSA-N 1 1 330.378 3.781 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000243932672 243036630 /nfs/dbraw/zinc/03/66/30/243036630.db2.gz BXRGWAUSBQCCPM-AWEZNQCLSA-N 1 1 344.890 3.789 50 0 EHAAMO Cc1nc(CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cs1 ZINC000244873239 243090743 /nfs/dbraw/zinc/09/07/43/243090743.db2.gz WMJGJIAPSDLGDJ-QGZVFWFLSA-N 1 1 326.469 3.718 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCn1ccc(-c2cccc(-c3ncccn3)c2)n1 ZINC000020784414 212172783 /nfs/dbraw/zinc/17/27/83/212172783.db2.gz YGSSXSCIOYLIFU-LJQANCHMSA-N 1 1 347.466 3.882 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)ccc1F)[NH2+]CC2 ZINC000020506967 212141452 /nfs/dbraw/zinc/14/14/52/212141452.db2.gz PZZOOHNIMXTUHR-HXUWFJFHSA-N 1 1 345.414 3.867 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000020418566 212127284 /nfs/dbraw/zinc/12/72/84/212127284.db2.gz NPIPJVWVPOWMNQ-UHFFFAOYSA-N 1 1 346.833 3.746 50 0 EHAAMO CC[C@@H](C)c1ccccc1OCCOCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020168332 212108390 /nfs/dbraw/zinc/10/83/90/212108390.db2.gz VWQJKKNSUSBQTM-KURKYZTESA-N 1 1 335.488 3.705 50 0 EHAAMO CC[C@@H](C)c1ccccc1OCCOCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020168332 212108393 /nfs/dbraw/zinc/10/83/93/212108393.db2.gz VWQJKKNSUSBQTM-KURKYZTESA-N 1 1 335.488 3.705 50 0 EHAAMO Cc1ccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 ZINC000020167878 212108185 /nfs/dbraw/zinc/10/81/85/212108185.db2.gz KPEJMMOWDXLDCV-QZTJIDSGSA-N 1 1 349.515 3.797 50 0 EHAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)cc1 ZINC000019842263 212075596 /nfs/dbraw/zinc/07/55/96/212075596.db2.gz RSLCLOWEZGLQGV-UHFFFAOYSA-N 1 1 328.431 3.542 50 0 EHAAMO CC(C)=CC[N@@H+]1CCN(C/C(Cl)=C/c2ccccc2)C[C@@H]1CCO ZINC000019794575 212068536 /nfs/dbraw/zinc/06/85/36/212068536.db2.gz KNIQHPQNZMHPLQ-STIKNRRDSA-N 1 1 348.918 3.601 50 0 EHAAMO CC(C)=CC[N@H+]1CCN(C/C(Cl)=C/c2ccccc2)C[C@@H]1CCO ZINC000019794575 212068538 /nfs/dbraw/zinc/06/85/38/212068538.db2.gz KNIQHPQNZMHPLQ-STIKNRRDSA-N 1 1 348.918 3.601 50 0 EHAAMO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019770585 212063083 /nfs/dbraw/zinc/06/30/83/212063083.db2.gz QEZCYQQCUOSFCC-UHFFFAOYSA-N 1 1 325.481 3.510 50 0 EHAAMO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000078879309 217136927 /nfs/dbraw/zinc/13/69/27/217136927.db2.gz KHCQWBSMKDSNBV-IHWFROFDSA-N 1 1 349.478 3.624 50 0 EHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000012387757 211365450 /nfs/dbraw/zinc/36/54/50/211365450.db2.gz KNTYLBVFQLUHBW-MRXNPFEDSA-N 1 1 326.465 3.898 50 0 EHAAMO OC[C@]1(CCOc2ccccc2)CCC[N@@H+](CCCC(F)(F)F)C1 ZINC000012315969 211343708 /nfs/dbraw/zinc/34/37/08/211343708.db2.gz DGJVCCKQJFWQPN-KRWDZBQOSA-N 1 1 345.405 3.873 50 0 EHAAMO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 ZINC000012305434 211339901 /nfs/dbraw/zinc/33/99/01/211339901.db2.gz CORSAWBOPTXJNA-AWEZNQCLSA-N 1 1 331.847 3.775 50 0 EHAAMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 ZINC000012305434 211339907 /nfs/dbraw/zinc/33/99/07/211339907.db2.gz CORSAWBOPTXJNA-AWEZNQCLSA-N 1 1 331.847 3.775 50 0 EHAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2CCCO)cc1C ZINC000012302736 211339542 /nfs/dbraw/zinc/33/95/42/211339542.db2.gz AYTZJAXWAMTSDS-LJQANCHMSA-N 1 1 327.472 3.821 50 0 EHAAMO 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Cc1ccc(C2(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@H+]3C)CC2)cc1 ZINC000077487343 563969969 /nfs/dbraw/zinc/96/99/69/563969969.db2.gz YPXZBUGTQYXKHG-OAQYLSRUSA-N 1 1 348.490 3.542 50 0 EHAAMO Cc1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c2ccccn12 ZINC000077505392 563970089 /nfs/dbraw/zinc/97/00/89/563970089.db2.gz USSQALCWNZSSKO-LJQANCHMSA-N 1 1 349.413 3.995 50 0 EHAAMO C[C@@H](C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077523853 563970220 /nfs/dbraw/zinc/97/02/20/563970220.db2.gz ZEQQIKNENORUMM-INIZCTEOSA-N 1 1 330.520 3.686 50 0 EHAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1oc2c(cc(C)cc2Cl)c1C ZINC000077564253 563970336 /nfs/dbraw/zinc/97/03/36/563970336.db2.gz ARVHVCFWDRUOAG-UHFFFAOYSA-N 1 1 345.830 3.980 50 0 EHAAMO CCc1nc(N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)no1 ZINC000426374108 563975021 /nfs/dbraw/zinc/97/50/21/563975021.db2.gz AZDIWTBBHTUJBO-LJQANCHMSA-N 1 1 332.492 3.505 50 0 EHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc([C@H]2CCCO2)s1 ZINC000091644053 563975568 /nfs/dbraw/zinc/97/55/68/563975568.db2.gz FYTZFLBOUCIZTC-CQSZACIVSA-N 1 1 347.484 3.740 50 0 EHAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCOc1ccc(O)cc1 ZINC000072289480 563976329 /nfs/dbraw/zinc/97/63/29/563976329.db2.gz PNVVZTZIIHGQFE-GFCCVEGCSA-N 1 1 345.424 3.576 50 0 EHAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCOc1ccc(O)cc1 ZINC000072289480 563976330 /nfs/dbraw/zinc/97/63/30/563976330.db2.gz PNVVZTZIIHGQFE-GFCCVEGCSA-N 1 1 345.424 3.576 50 0 EHAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095509775 563977239 /nfs/dbraw/zinc/97/72/39/563977239.db2.gz OSGMDMFKOMEYFH-UHFFFAOYSA-N 1 1 338.814 3.758 50 0 EHAAMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c2cc(F)cc(F)c2n1 ZINC000095524622 563977463 /nfs/dbraw/zinc/97/74/63/563977463.db2.gz IIGZLWKKROCZKA-CYBMUJFWSA-N 1 1 342.393 3.939 50 0 EHAAMO Cc1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043998029 563977682 /nfs/dbraw/zinc/97/76/82/563977682.db2.gz KQSYZFBQZMLMKY-JXMROGBWSA-N 1 1 344.462 3.774 50 0 EHAAMO CC[N@@H+](C)C1(CNC(=O)Nc2ccc(F)cc2Cl)CCCC1 ZINC000096138996 563979436 /nfs/dbraw/zinc/97/94/36/563979436.db2.gz JPZIRKMPNOUIGG-UHFFFAOYSA-N 1 1 327.831 3.865 50 0 EHAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000247846609 563986366 /nfs/dbraw/zinc/98/63/66/563986366.db2.gz PTHMDVFWWFEYJA-LZQZEXGQSA-N 1 1 340.423 3.648 50 0 EHAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000247846609 563986367 /nfs/dbraw/zinc/98/63/67/563986367.db2.gz PTHMDVFWWFEYJA-LZQZEXGQSA-N 1 1 340.423 3.648 50 0 EHAAMO Cc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)n1-c1cccc(C)c1 ZINC000072527246 563995598 /nfs/dbraw/zinc/99/55/98/563995598.db2.gz PDAHQMRIDRJWME-INIZCTEOSA-N 1 1 330.501 3.851 50 0 EHAAMO Cc1c2cc(F)ccc2sc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061604074 563995716 /nfs/dbraw/zinc/99/57/16/563995716.db2.gz CPYPYAUCYBWZFF-UHFFFAOYSA-N 1 1 332.444 3.659 50 0 EHAAMO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH]cnc21 ZINC000252482483 563997718 /nfs/dbraw/zinc/99/77/18/563997718.db2.gz DGRYJRSEINHSOG-HKUYNNGSSA-N 1 1 349.409 3.875 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005452026 564004199 /nfs/dbraw/zinc/00/41/99/564004199.db2.gz MKVUIKWSPDAFCI-HNNXBMFYSA-N 1 1 336.435 3.525 50 0 EHAAMO O=C(Nc1ccc(F)cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172440831 564017594 /nfs/dbraw/zinc/01/75/94/564017594.db2.gz AZXUVWWNMJGVQX-UHFFFAOYSA-N 1 1 339.842 3.961 50 0 EHAAMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000015184701 564024055 /nfs/dbraw/zinc/02/40/55/564024055.db2.gz JTRFTCPBCNWVFF-AWEZNQCLSA-N 1 1 345.439 3.880 50 0 EHAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)nc2ccc(Cl)cn12 ZINC000044977628 564028044 /nfs/dbraw/zinc/02/80/44/564028044.db2.gz AJLZBMKLYLGBHF-OAHLLOKOSA-N 1 1 345.855 3.747 50 0 EHAAMO CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000045906968 564028841 /nfs/dbraw/zinc/02/88/41/564028841.db2.gz HRRFMWFBTDTHBG-UHFFFAOYSA-N 1 1 332.444 3.608 50 0 EHAAMO CC(C)(C)[C@H]([NH2+]Cn1ncc(Cl)c(Cl)c1=O)c1cccs1 ZINC000048365801 564031495 /nfs/dbraw/zinc/03/14/95/564031495.db2.gz MJYZFGJZMLQDDL-GFCCVEGCSA-N 1 1 346.283 3.946 50 0 EHAAMO CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048681918 564032038 /nfs/dbraw/zinc/03/20/38/564032038.db2.gz FYGKBFQIFVTGBN-MRXNPFEDSA-N 1 1 346.906 3.561 50 0 EHAAMO CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048681918 564032039 /nfs/dbraw/zinc/03/20/39/564032039.db2.gz FYGKBFQIFVTGBN-MRXNPFEDSA-N 1 1 346.906 3.561 50 0 EHAAMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc2ccccc2c1 ZINC000007500502 564034404 /nfs/dbraw/zinc/03/44/04/564034404.db2.gz MNWAKLXNBDGCPO-UHFFFAOYSA-N 1 1 344.414 3.568 50 0 EHAAMO O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccsc1)[NH+]1CCC1 ZINC000225593776 564051028 /nfs/dbraw/zinc/05/10/28/564051028.db2.gz DYUFISREUKTMBU-DKRLNXSXSA-N 1 1 346.883 3.978 50 0 EHAAMO C[C@@H]1CCCCN1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894030 564052324 /nfs/dbraw/zinc/05/23/24/564052324.db2.gz YYSCVZPXYYWMJP-QGZVFWFLSA-N 1 1 347.572 3.793 50 0 EHAAMO C[N@H+](CCCn1c(=O)c2ccccc2[nH]c1=S)C1CCCCC1 ZINC000012545963 564058871 /nfs/dbraw/zinc/05/88/71/564058871.db2.gz KQPDUVSJXVZEIM-UHFFFAOYSA-N 1 1 331.485 3.714 50 0 EHAAMO C[N@@H+](CCCn1c(=O)c2ccccc2[nH]c1=S)C1CCCCC1 ZINC000012545963 564058872 /nfs/dbraw/zinc/05/88/72/564058872.db2.gz KQPDUVSJXVZEIM-UHFFFAOYSA-N 1 1 331.485 3.714 50 0 EHAAMO O=C(Nc1cccc2ncccc21)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000084535987 564068652 /nfs/dbraw/zinc/06/86/52/564068652.db2.gz OGVOBKPXJJBWJV-FQEVSTJZSA-N 1 1 331.419 3.838 50 0 EHAAMO Cc1cccc2c(NNC(=O)c3cccnc3)c3ccccc3[nH+]c12 ZINC000004989834 564070307 /nfs/dbraw/zinc/07/03/07/564070307.db2.gz RLUANUNVDJGXGV-UHFFFAOYSA-N 1 1 328.375 3.848 50 0 EHAAMO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+](C)C)o1 ZINC000015860091 564076924 /nfs/dbraw/zinc/07/69/24/564076924.db2.gz TUCZBQPHIUXGNH-KRWDZBQOSA-N 1 1 328.456 3.918 50 0 EHAAMO Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012912065 564077972 /nfs/dbraw/zinc/07/79/72/564077972.db2.gz KVRLQYRYACABPQ-UHFFFAOYSA-N 1 1 345.446 3.501 50 0 EHAAMO Cc1nc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)s1 ZINC000090889372 564086952 /nfs/dbraw/zinc/08/69/52/564086952.db2.gz IVWLYXOXMRGRAY-NSHDSACASA-N 1 1 331.441 3.567 50 0 EHAAMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369192 564087550 /nfs/dbraw/zinc/08/75/50/564087550.db2.gz TZLXHHRPSYXZGO-SGMGOOAPSA-N 1 1 332.879 3.503 50 0 EHAAMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369192 564087551 /nfs/dbraw/zinc/08/75/51/564087551.db2.gz TZLXHHRPSYXZGO-SGMGOOAPSA-N 1 1 332.879 3.503 50 0 EHAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)NC(C)(C)C ZINC000239654181 564088207 /nfs/dbraw/zinc/08/82/07/564088207.db2.gz BMVCHLAZJVLDIF-VQFNDLOPSA-N 1 1 331.504 3.583 50 0 EHAAMO CC(C)n1cc([C@H](C)[NH2+][C@@H](CO)c2ccc(Cl)c(F)c2)cn1 ZINC000092768834 564089092 /nfs/dbraw/zinc/08/90/92/564089092.db2.gz QBFDUMUFRKKNEA-ZBEGNZNMSA-N 1 1 325.815 3.641 50 0 EHAAMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)c(F)c2)cn1 ZINC000092768833 564089098 /nfs/dbraw/zinc/08/90/98/564089098.db2.gz QBFDUMUFRKKNEA-BZNIZROVSA-N 1 1 325.815 3.641 50 0 EHAAMO CC[C@H](C)[N@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679069 564098152 /nfs/dbraw/zinc/09/81/52/564098152.db2.gz GBOUWFLOHUVCRW-PKOBYXMFSA-N 1 1 331.456 3.766 50 0 EHAAMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000006874455 564100248 /nfs/dbraw/zinc/10/02/48/564100248.db2.gz XJJLZRBHDWJTNR-KRWDZBQOSA-N 1 1 326.484 3.861 50 0 EHAAMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000006874455 564100249 /nfs/dbraw/zinc/10/02/49/564100249.db2.gz XJJLZRBHDWJTNR-KRWDZBQOSA-N 1 1 326.484 3.861 50 0 EHAAMO CCCC[N@@H+](C)Cc1nc(-c2ccc(N3CCC[C@@H](C)C3)nc2)no1 ZINC000169783466 564101088 /nfs/dbraw/zinc/10/10/88/564101088.db2.gz PDOYYHXRNUZXJC-OAHLLOKOSA-N 1 1 343.475 3.600 50 0 EHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000007486514 564108877 /nfs/dbraw/zinc/10/88/77/564108877.db2.gz CIUIHGTVHWEKJS-LBPRGKRZSA-N 1 1 325.250 3.570 50 0 EHAAMO Brc1cccc(SCCCC[NH+]2CCOCC2)c1 ZINC000170613016 564109909 /nfs/dbraw/zinc/10/99/09/564109909.db2.gz ZSHWXJONDZSBNT-UHFFFAOYSA-N 1 1 330.291 3.654 50 0 EHAAMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000042797164 564111113 /nfs/dbraw/zinc/11/11/13/564111113.db2.gz ZIHDAECQQPZOIB-LBPRGKRZSA-N 1 1 349.402 3.711 50 0 EHAAMO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000071825177 564111317 /nfs/dbraw/zinc/11/13/17/564111317.db2.gz ZQRZQHWYRFGXEA-JTQLQIEISA-N 1 1 342.270 3.650 50 0 EHAAMO Cc1noc(C)c1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249713183 564111718 /nfs/dbraw/zinc/11/17/18/564111718.db2.gz GINWVIOHUJNLMK-CVEARBPZSA-N 1 1 341.238 3.688 50 0 EHAAMO Cc1noc(C)c1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249713183 564111719 /nfs/dbraw/zinc/11/17/19/564111719.db2.gz GINWVIOHUJNLMK-CVEARBPZSA-N 1 1 341.238 3.688 50 0 EHAAMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735569 564113458 /nfs/dbraw/zinc/11/34/58/564113458.db2.gz ZFRHDDISEZHUNT-SFHVURJKSA-N 1 1 338.480 3.980 50 0 EHAAMO CC(C)c1nc([C@H](C)NC2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000090049820 564116221 /nfs/dbraw/zinc/11/62/21/564116221.db2.gz UCZWKZDSMDGOTA-HNNXBMFYSA-N 1 1 344.528 3.977 50 0 EHAAMO CN(C)c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639533 564117618 /nfs/dbraw/zinc/11/76/18/564117618.db2.gz MZKOOSBXJOPPPJ-LJQANCHMSA-N 1 1 330.859 3.980 50 0 EHAAMO CN(C)c1cccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639533 564117619 /nfs/dbraw/zinc/11/76/19/564117619.db2.gz MZKOOSBXJOPPPJ-LJQANCHMSA-N 1 1 330.859 3.980 50 0 EHAAMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492646 564119614 /nfs/dbraw/zinc/11/96/14/564119614.db2.gz MRKKQYVAEFSEQB-GHTZIAJQSA-N 1 1 349.478 3.689 50 0 EHAAMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252511211 564120101 /nfs/dbraw/zinc/12/01/01/564120101.db2.gz DZWFLHIDKSFIKW-UXPWSPDFSA-N 1 1 341.499 3.624 50 0 EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000007779035 564123039 /nfs/dbraw/zinc/12/30/39/564123039.db2.gz ZSLNEXDRAMILGY-INIZCTEOSA-N 1 1 332.831 3.890 50 0 EHAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(N2CCCC2)c1 ZINC000195552361 564123701 /nfs/dbraw/zinc/12/37/01/564123701.db2.gz DUYUSHANEKUVHP-QMMLZNLJSA-N 1 1 343.515 3.588 50 0 EHAAMO C[N@@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531173 564133028 /nfs/dbraw/zinc/13/30/28/564133028.db2.gz NDAWUPLIPPNPGL-CGJBRMOZSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO CN(CC[NH3+])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531173 564133029 /nfs/dbraw/zinc/13/30/29/564133029.db2.gz NDAWUPLIPPNPGL-CGJBRMOZSA-N 1 1 348.575 3.649 50 0 biogenic EHAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000012658779 564135449 /nfs/dbraw/zinc/13/54/49/564135449.db2.gz VDGSGEDIQNWBAS-YSUOHUKGSA-N 1 1 335.532 3.845 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)n(-c2ccccc2C)n1 ZINC000012943685 564135691 /nfs/dbraw/zinc/13/56/91/564135691.db2.gz BCVUFXFPEWYHHF-UHFFFAOYSA-N 1 1 348.450 3.560 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)n(-c2ccccc2C)n1 ZINC000012943685 564135692 /nfs/dbraw/zinc/13/56/92/564135692.db2.gz BCVUFXFPEWYHHF-UHFFFAOYSA-N 1 1 348.450 3.560 50 0 EHAAMO CCc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCOCC3)c2c1 ZINC000013125475 564136032 /nfs/dbraw/zinc/13/60/32/564136032.db2.gz CFWNRJSEERTARC-UHFFFAOYSA-N 1 1 346.430 3.865 50 0 EHAAMO CC(C)C[C@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000007952025 564136102 /nfs/dbraw/zinc/13/61/02/564136102.db2.gz RSRMYAOMXJWHJD-LBPRGKRZSA-N 1 1 339.848 3.744 50 0 EHAAMO O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2cnc[nH]2)CC1 ZINC000390835548 564138995 /nfs/dbraw/zinc/13/89/95/564138995.db2.gz QKDYDKPYPOLMPL-HNNXBMFYSA-N 1 1 342.468 3.536 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNc1nc(-c2ccncc2)nc2ccccc21 ZINC000095947366 564142261 /nfs/dbraw/zinc/14/22/61/564142261.db2.gz QDVRWRAQVADAHX-INIZCTEOSA-N 1 1 333.439 3.588 50 0 EHAAMO COC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)o1 ZINC000095968825 564143276 /nfs/dbraw/zinc/14/32/76/564143276.db2.gz NYHUFFLBSLTLMD-WMLDXEAASA-N 1 1 344.411 3.583 50 0 EHAAMO C[C@@H]1C[C@H](Nc2cccc(C[S@](C)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000095980663 564143686 /nfs/dbraw/zinc/14/36/86/564143686.db2.gz FEOVLFAYSJYCTK-AAORUROXSA-N 1 1 342.508 3.640 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(C2CC2)n1Cc1ccco1 ZINC000283741517 564148952 /nfs/dbraw/zinc/14/89/52/564148952.db2.gz AQHSOZSSJDNTEZ-OAHLLOKOSA-N 1 1 346.500 3.763 50 0 EHAAMO c1ccc(COc2ccc(-c3noc(C[NH+]4CCCC4)n3)cc2)cc1 ZINC000057427717 564154241 /nfs/dbraw/zinc/15/42/41/564154241.db2.gz GSPJLHRCNCDCJU-UHFFFAOYSA-N 1 1 335.407 3.911 50 0 EHAAMO CC[C@H](CNC(=O)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000029909336 564154722 /nfs/dbraw/zinc/15/47/22/564154722.db2.gz BSKLTSRNCUKWDV-QGZVFWFLSA-N 1 1 344.405 3.532 50 0 EHAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000031766548 564159817 /nfs/dbraw/zinc/15/98/17/564159817.db2.gz 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COc1c[nH]c(C[N@H+]2CCC[C@@H](CCc3cccc(F)c3)C2)cc1=O ZINC000072132103 216022308 /nfs/dbraw/zinc/02/23/08/216022308.db2.gz PUCMBIXBZAKZHJ-INIZCTEOSA-N 1 1 344.430 3.780 50 0 EHAAMO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000072163346 216051883 /nfs/dbraw/zinc/05/18/83/216051883.db2.gz YKIHYMGCXFOIRZ-HNNXBMFYSA-N 1 1 329.419 3.931 50 0 EHAAMO Fc1ccc(CC[C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000072163346 216051886 /nfs/dbraw/zinc/05/18/86/216051886.db2.gz YKIHYMGCXFOIRZ-HNNXBMFYSA-N 1 1 329.419 3.931 50 0 EHAAMO CCCCc1nc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c[nH]1 ZINC000072162976 216052281 /nfs/dbraw/zinc/05/22/81/216052281.db2.gz PMWNKZZDXUYVIJ-UHFFFAOYSA-N 1 1 330.451 3.604 50 0 EHAAMO CCCCc1nc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)c[nH]1 ZINC000072162976 216052283 /nfs/dbraw/zinc/05/22/83/216052283.db2.gz PMWNKZZDXUYVIJ-UHFFFAOYSA-N 1 1 330.451 3.604 50 0 EHAAMO CCCCc1ncc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)[nH]1 ZINC000072162976 216052287 /nfs/dbraw/zinc/05/22/87/216052287.db2.gz PMWNKZZDXUYVIJ-UHFFFAOYSA-N 1 1 330.451 3.604 50 0 EHAAMO CCCCc1ncc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)[nH]1 ZINC000072162976 216052289 /nfs/dbraw/zinc/05/22/89/216052289.db2.gz PMWNKZZDXUYVIJ-UHFFFAOYSA-N 1 1 330.451 3.604 50 0 EHAAMO COc1coc(C[N@H+]2CCC[C@@H](CCc3ccccc3F)C2)cc1=O ZINC000072168857 216061123 /nfs/dbraw/zinc/06/11/23/216061123.db2.gz VCQFJIRCASSANK-HNNXBMFYSA-N 1 1 345.414 3.632 50 0 EHAAMO COCCn1cncc1C[N@H+]1CCC[C@H](CCc2ccccc2C)C1 ZINC000072170528 216061796 /nfs/dbraw/zinc/06/17/96/216061796.db2.gz MBOAHIYVTACPKE-LJQANCHMSA-N 1 1 341.499 3.683 50 0 EHAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@@H]1C ZINC000072305955 216145053 /nfs/dbraw/zinc/14/50/53/216145053.db2.gz VZOPXZFACAUSQX-GOEBONIOSA-N 1 1 326.444 3.571 50 0 EHAAMO CC(C)(O)CCc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000072417871 216206601 /nfs/dbraw/zinc/20/66/01/216206601.db2.gz KQPSGMOSHDAUBW-UHFFFAOYSA-N 1 1 344.543 3.840 50 0 EHAAMO Cc1[nH+]ccn1-c1cncc(N[C@H]2CCSc3ccc(F)cc32)n1 ZINC000131067687 223201793 /nfs/dbraw/zinc/20/17/93/223201793.db2.gz CUIHMAHYLGQSPG-AWEZNQCLSA-N 1 1 341.415 3.759 50 0 EHAAMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000072858702 216317979 /nfs/dbraw/zinc/31/79/79/216317979.db2.gz UPWPVKRISVOSNH-KBPBESRZSA-N 1 1 336.430 3.766 50 0 EHAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000023039496 212344491 /nfs/dbraw/zinc/34/44/91/212344491.db2.gz WSXDMECCIWHRRA-ZDUSSCGKSA-N 1 1 327.815 3.541 50 0 EHAAMO OCC1CCN([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000022851166 212329635 /nfs/dbraw/zinc/32/96/35/212329635.db2.gz PZXDUGYEFRUJOQ-OAQYLSRUSA-N 1 1 338.495 3.509 50 0 EHAAMO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc4ccccc43)C2)CC1 ZINC000022851166 212329638 /nfs/dbraw/zinc/32/96/38/212329638.db2.gz PZXDUGYEFRUJOQ-OAQYLSRUSA-N 1 1 338.495 3.509 50 0 EHAAMO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc(OC)c1OC ZINC000022786813 212325064 /nfs/dbraw/zinc/32/50/64/212325064.db2.gz MUJDGEXBVQBVGD-NSHDSACASA-N 1 1 337.366 3.841 50 0 EHAAMO COc1cccc([C@H]2CC[N@@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000215587818 241133689 /nfs/dbraw/zinc/13/36/89/241133689.db2.gz VJHAVEHWQOIWIH-QGZVFWFLSA-N 1 1 329.469 3.699 50 0 EHAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000215587818 241133693 /nfs/dbraw/zinc/13/36/93/241133693.db2.gz VJHAVEHWQOIWIH-QGZVFWFLSA-N 1 1 329.469 3.699 50 0 EHAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)n1 ZINC000229272298 242155072 /nfs/dbraw/zinc/15/50/72/242155072.db2.gz GSJSCQHRINJNBK-LSDHHAIUSA-N 1 1 339.443 3.941 50 0 EHAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)n1 ZINC000229272298 242155076 /nfs/dbraw/zinc/15/50/76/242155076.db2.gz GSJSCQHRINJNBK-LSDHHAIUSA-N 1 1 339.443 3.941 50 0 EHAAMO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000229629911 242185214 /nfs/dbraw/zinc/18/52/14/242185214.db2.gz CRDMMPKFDURCLO-ZIAGYGMSSA-N 1 1 343.446 3.533 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000229723238 242194107 /nfs/dbraw/zinc/19/41/07/242194107.db2.gz BVVVQWLEIBRQLI-DNVCBOLYSA-N 1 1 336.435 3.706 50 0 EHAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000229723238 242194110 /nfs/dbraw/zinc/19/41/10/242194110.db2.gz BVVVQWLEIBRQLI-DNVCBOLYSA-N 1 1 336.435 3.706 50 0 EHAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000229853832 242209179 /nfs/dbraw/zinc/20/91/79/242209179.db2.gz FTLZEAPBZLREGZ-DOTOQJQBSA-N 1 1 342.439 3.874 50 0 EHAAMO CCN1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000021486767 212226825 /nfs/dbraw/zinc/22/68/25/212226825.db2.gz HTYVABBUQLNZKB-NRFANRHFSA-N 1 1 334.467 3.598 50 0 EHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)NCc1cccc(Cl)c1 ZINC000244708303 243064018 /nfs/dbraw/zinc/06/40/18/243064018.db2.gz KRHIXKZLVMDJSB-MRXNPFEDSA-N 1 1 332.831 3.776 50 0 EHAAMO Cc1cccc(NC(=O)CC[N@H+](C)[C@@H](C)Cc2ncccc2C)c1C ZINC000243885891 243027784 /nfs/dbraw/zinc/02/77/84/243027784.db2.gz ADHFCFHTHMPTJK-KRWDZBQOSA-N 1 1 339.483 3.898 50 0 EHAAMO COc1ccnc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)c1 ZINC000244647044 243051929 /nfs/dbraw/zinc/05/19/29/243051929.db2.gz GUDCLODGMSQNGW-UHFFFAOYSA-N 1 1 336.439 3.655 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000020868219 212179860 /nfs/dbraw/zinc/17/98/60/212179860.db2.gz QERLTJCSUOIDDQ-UHFFFAOYSA-N 1 1 346.478 3.703 50 0 EHAAMO CC(C)(C)c1n[nH]c2c1C[N@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000020781830 212171810 /nfs/dbraw/zinc/17/18/10/212171810.db2.gz YLFGBONIVBGMSE-UHFFFAOYSA-N 1 1 341.484 3.717 50 0 EHAAMO CC(C)(C)c1n[nH]c2c1C[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000020781830 212171813 /nfs/dbraw/zinc/17/18/13/212171813.db2.gz YLFGBONIVBGMSE-UHFFFAOYSA-N 1 1 341.484 3.717 50 0 EHAAMO CC(C)(C)c1[nH]nc2c1C[N@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000020781830 212171818 /nfs/dbraw/zinc/17/18/18/212171818.db2.gz YLFGBONIVBGMSE-UHFFFAOYSA-N 1 1 341.484 3.717 50 0 EHAAMO CC(C)(C)c1[nH]nc2c1C[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000020781830 212171823 /nfs/dbraw/zinc/17/18/23/212171823.db2.gz YLFGBONIVBGMSE-UHFFFAOYSA-N 1 1 341.484 3.717 50 0 EHAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020781633 212172568 /nfs/dbraw/zinc/17/25/68/212172568.db2.gz SJKRNMBNNNMMAG-IBGZPJMESA-N 1 1 348.494 3.702 50 0 EHAAMO Cc1[nH]c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1C ZINC000020583762 212150298 /nfs/dbraw/zinc/15/02/98/212150298.db2.gz HUJIVDCYYHTWFE-UHFFFAOYSA-N 1 1 347.462 3.743 50 0 EHAAMO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020133455 212103959 /nfs/dbraw/zinc/10/39/59/212103959.db2.gz VYFSBPZPKOBWIM-OAQYLSRUSA-N 1 1 336.479 3.771 50 0 EHAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)cc1 ZINC000019832130 212072971 /nfs/dbraw/zinc/07/29/71/212072971.db2.gz VHXJBEWMHDZJSF-UHFFFAOYSA-N 1 1 342.508 3.735 50 0 EHAAMO CCCCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c[nH]1 ZINC000019811611 212070622 /nfs/dbraw/zinc/07/06/22/212070622.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 1 1 340.515 3.849 50 0 EHAAMO CCCCc1ncc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000019811611 212070625 /nfs/dbraw/zinc/07/06/25/212070625.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 1 1 340.515 3.849 50 0 EHAAMO CCCCc1ncc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000019811611 212070627 /nfs/dbraw/zinc/07/06/27/212070627.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 1 1 340.515 3.849 50 0 EHAAMO COc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019781728 212065987 /nfs/dbraw/zinc/06/59/87/212065987.db2.gz DLBSOPNYHULJEB-UHFFFAOYSA-N 1 1 330.859 3.666 50 0 EHAAMO Cc1nc(C[NH+]2CCC(CNC(=O)C=C3CCCCC3)CC2)oc1C ZINC000078919177 217147821 /nfs/dbraw/zinc/14/78/21/217147821.db2.gz PURIMUFDVUZSNW-UHFFFAOYSA-N 1 1 345.487 3.510 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012373462 211359499 /nfs/dbraw/zinc/35/94/99/211359499.db2.gz WNIGYJOTATUTJH-NRFANRHFSA-N 1 1 343.442 3.652 50 0 EHAAMO Cc1ccc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)o1 ZINC000012314032 211342524 /nfs/dbraw/zinc/34/25/24/211342524.db2.gz JKKJKHVYBJJITD-UHFFFAOYSA-N 1 1 338.363 3.530 50 0 EHAAMO Cc1ccc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)o1 ZINC000012314032 211342528 /nfs/dbraw/zinc/34/25/28/211342528.db2.gz JKKJKHVYBJJITD-UHFFFAOYSA-N 1 1 338.363 3.530 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O ZINC000012197622 211316655 /nfs/dbraw/zinc/31/66/55/211316655.db2.gz CONJAXNQFKZCBF-QGZVFWFLSA-N 1 1 330.403 3.616 50 0 EHAAMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(F)c1 ZINC000012005538 211280224 /nfs/dbraw/zinc/28/02/24/211280224.db2.gz ADDSUPUKLVXOBK-NRFANRHFSA-N 1 1 343.442 3.652 50 0 EHAAMO CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2cc(OC)ccc2O1 ZINC000011881877 211264320 /nfs/dbraw/zinc/26/43/20/211264320.db2.gz JMQHXMCEZJSAOD-KRWDZBQOSA-N 1 1 327.424 3.877 50 0 EHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)NC1CC1 ZINC000011999630 211278362 /nfs/dbraw/zinc/27/83/62/211278362.db2.gz BAAWBXBRAJQFTI-CYBMUJFWSA-N 1 1 338.854 3.750 50 0 EHAAMO O=C(CC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)NC1CC1 ZINC000011999630 211278368 /nfs/dbraw/zinc/27/83/68/211278368.db2.gz BAAWBXBRAJQFTI-CYBMUJFWSA-N 1 1 338.854 3.750 50 0 EHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)C1 ZINC000091459979 218009522 /nfs/dbraw/zinc/00/95/22/218009522.db2.gz SBQOPFSVPVJZKR-LJQANCHMSA-N 1 1 338.499 3.501 50 0 EHAAMO CSc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000011880080 211264992 /nfs/dbraw/zinc/26/49/92/211264992.db2.gz ITRQGXROCUVSLP-HNNXBMFYSA-N 1 1 332.513 3.679 50 0 EHAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(CN(C)C)cs1)C2 ZINC000091738085 218055709 /nfs/dbraw/zinc/05/57/09/218055709.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 1 1 347.572 3.672 50 0 EHAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(CN(C)C)cs1)C2 ZINC000091738085 218055711 /nfs/dbraw/zinc/05/57/11/218055711.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 1 1 347.572 3.672 50 0 EHAAMO Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)n1 ZINC000011661954 211229204 /nfs/dbraw/zinc/22/92/04/211229204.db2.gz AHVVDVBCPJGARC-FQEVSTJZSA-N 1 1 330.520 3.586 50 0 EHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(C)on2)cc1 ZINC000009512962 211095328 /nfs/dbraw/zinc/09/53/28/211095328.db2.gz VHGNRNJXBQGMGN-QGZVFWFLSA-N 1 1 343.427 3.547 50 0 EHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(C)on2)cc1 ZINC000009512962 211095329 /nfs/dbraw/zinc/09/53/29/211095329.db2.gz VHGNRNJXBQGMGN-QGZVFWFLSA-N 1 1 343.427 3.547 50 0 EHAAMO Cc1cc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(C)c1Cl ZINC000009441502 211085126 /nfs/dbraw/zinc/08/51/26/211085126.db2.gz DRPZDBYGBLRKOR-XHSDSOJGSA-N 1 1 325.880 3.959 50 0 EHAAMO Cc1cc(F)ccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095357374 218290798 /nfs/dbraw/zinc/29/07/98/218290798.db2.gz CJPDMRAYEIWOQB-LAUBAEHRSA-N 1 1 339.458 3.626 50 0 EHAAMO Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095357374 218290801 /nfs/dbraw/zinc/29/08/01/218290801.db2.gz CJPDMRAYEIWOQB-LAUBAEHRSA-N 1 1 339.458 3.626 50 0 EHAAMO Cc1cc(F)ccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095357374 218290803 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Cc1ccccc1CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000005047428 210373940 /nfs/dbraw/zinc/37/39/40/210373940.db2.gz RKVGGBSDCJWYNZ-INIZCTEOSA-N 1 1 325.437 3.913 50 0 EHAAMO COC(C)(C)C[C@@H](C)[N@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097436755 219024846 /nfs/dbraw/zinc/02/48/46/219024846.db2.gz YQMVUIDSIGHONG-GFCCVEGCSA-N 1 1 349.425 3.917 50 0 EHAAMO COc1cccc([C@H](CNCc2cc(F)ccc2F)[NH+]2CCCC2)c1 ZINC000097465484 219026411 /nfs/dbraw/zinc/02/64/11/219026411.db2.gz PIBJPRRDTTXZPP-FQEVSTJZSA-N 1 1 346.421 3.900 50 0 EHAAMO Oc1ccc(Cl)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1Cl ZINC000097572245 219036054 /nfs/dbraw/zinc/03/60/54/219036054.db2.gz HBPWKQPWRWLLJQ-GFCCVEGCSA-N 1 1 329.271 3.759 50 0 EHAAMO CC[NH+]1CCN(C(=O)Nc2ccc(SCc3ccco3)cc2)CC1 ZINC000299790743 258096254 /nfs/dbraw/zinc/09/62/54/258096254.db2.gz CGSHLPOMPPEPGB-UHFFFAOYSA-N 1 1 345.468 3.741 50 0 EHAAMO Cc1c(Cl)cccc1Nc1nc(N)nc(C[NH+]2CCCCCC2)n1 ZINC000001241465 471383630 /nfs/dbraw/zinc/38/36/30/471383630.db2.gz 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CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nc2ccc(Cl)cn21 ZINC000063882987 563956494 /nfs/dbraw/zinc/95/64/94/563956494.db2.gz OJKPBSLYXYDEFM-HNNXBMFYSA-N 1 1 347.846 3.662 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nc2ccc(Cl)cn21 ZINC000063882987 563956495 /nfs/dbraw/zinc/95/64/95/563956495.db2.gz OJKPBSLYXYDEFM-HNNXBMFYSA-N 1 1 347.846 3.662 50 0 EHAAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)on1 ZINC000064984405 563957497 /nfs/dbraw/zinc/95/74/97/563957497.db2.gz ANZJMYUZNGQIQA-HNNXBMFYSA-N 1 1 346.427 3.600 50 0 EHAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)on1 ZINC000064984405 563957498 /nfs/dbraw/zinc/95/74/98/563957498.db2.gz ANZJMYUZNGQIQA-HNNXBMFYSA-N 1 1 346.427 3.600 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@@H+](C(C)C)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065385052 563959129 /nfs/dbraw/zinc/95/91/29/563959129.db2.gz FLQCYPKIXBEQOA-KRWDZBQOSA-N 1 1 342.487 3.583 50 0 EHAAMO Cc1nn(C)c(C)c1C[N@H+](C(C)C)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065385052 563959130 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CC[N@H+]1CCC[C@@H](c2nccn2Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000071750871 563965130 /nfs/dbraw/zinc/96/51/30/563965130.db2.gz KPSMQJYUTNMHPF-CYBMUJFWSA-N 1 1 343.862 3.660 50 0 EHAAMO Cc1n[nH]c(C)c1CNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000097159154 563968322 /nfs/dbraw/zinc/96/83/22/563968322.db2.gz HQOIIQBLDQNQQC-UHFFFAOYSA-N 1 1 326.488 3.548 50 0 EHAAMO O[C@H](C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000247806518 563981704 /nfs/dbraw/zinc/98/17/04/563981704.db2.gz ZTDOTOVLNCHEGA-RBUKOAKNSA-N 1 1 339.435 3.718 50 0 EHAAMO Cc1cc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C(C)C ZINC000000350506 563991549 /nfs/dbraw/zinc/99/15/49/563991549.db2.gz NQSMIJDNDFNKMS-HXUWFJFHSA-N 1 1 339.479 3.916 50 0 EHAAMO Cc1nc(CN2CCC[N@@H+](Cc3cccc4[nH]ccc43)CC2)cs1 ZINC000157261765 563996171 /nfs/dbraw/zinc/99/61/71/563996171.db2.gz SFGGFDAUSGAROJ-UHFFFAOYSA-N 1 1 340.496 3.641 50 0 EHAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4ccnc(C)n4)C3)C2)c1 ZINC000426503336 563996270 /nfs/dbraw/zinc/99/62/70/563996270.db2.gz 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CC(C)OCC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095431952 218374766 /nfs/dbraw/zinc/37/47/66/218374766.db2.gz LOCGZHHPJFVKBO-CQSZACIVSA-N 1 1 335.473 3.968 50 0 EHAAMO CC(C)OCC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095431952 218374770 /nfs/dbraw/zinc/37/47/70/218374770.db2.gz LOCGZHHPJFVKBO-CQSZACIVSA-N 1 1 335.473 3.968 50 0 EHAAMO Oc1ccc2cc(C[N@H+]3CCCN(Cc4ccncc4)CC3)ccc2c1 ZINC000097602465 219040193 /nfs/dbraw/zinc/04/01/93/219040193.db2.gz RVZBFUGKIHWQAQ-UHFFFAOYSA-N 1 1 347.462 3.648 50 0 EHAAMO CCCSCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299782923 258091287 /nfs/dbraw/zinc/09/12/87/258091287.db2.gz WFZMQIFDAVJFRS-KRWDZBQOSA-N 1 1 338.492 3.612 50 0 EHAAMO Cc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4ccncn4)C3)cn2)cc1C ZINC000216032469 258072296 /nfs/dbraw/zinc/07/22/96/258072296.db2.gz KTNOJYZHVOUALT-IBGZPJMESA-N 1 1 347.466 3.659 50 0 EHAAMO CCn1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)n1 ZINC000299756432 258074833 /nfs/dbraw/zinc/07/48/33/258074833.db2.gz 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CCOc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000006638693 564094776 /nfs/dbraw/zinc/09/47/76/564094776.db2.gz NQAMMDXBHIWXIJ-UHFFFAOYSA-N 1 1 332.831 3.809 50 0 EHAAMO CCOc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000006638693 564094777 /nfs/dbraw/zinc/09/47/77/564094777.db2.gz NQAMMDXBHIWXIJ-UHFFFAOYSA-N 1 1 332.831 3.809 50 0 EHAAMO CC[NH+](CC)c1ccc(Nc2nc3ccccc3n3nnnc23)c(C)c1 ZINC000006752096 564097188 /nfs/dbraw/zinc/09/71/88/564097188.db2.gz LLUMVVUIUFDRIR-UHFFFAOYSA-N 1 1 347.426 3.571 50 0 EHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000064894574 564097520 /nfs/dbraw/zinc/09/75/20/564097520.db2.gz ZIMFDRZGALDRAC-QAPCUYQASA-N 1 1 331.529 3.619 50 0 EHAAMO CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH+](CC)CC1 ZINC000065170460 564102170 /nfs/dbraw/zinc/10/21/70/564102170.db2.gz YPWQCWAYZRRQIW-UHFFFAOYSA-N 1 1 345.874 3.606 50 0 EHAAMO Cc1cccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1F ZINC000151373128 564103680 /nfs/dbraw/zinc/10/36/80/564103680.db2.gz AYCGITAEEFRQFC-UHFFFAOYSA-N 1 1 344.455 3.935 50 0 EHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000065593590 564108055 /nfs/dbraw/zinc/10/80/55/564108055.db2.gz PUBOHPBLRGTLKN-UHFFFAOYSA-N 1 1 333.382 3.738 50 0 EHAAMO C[C@H]1CCO[C@H]([C@H]([N@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607457 564109654 /nfs/dbraw/zinc/10/96/54/564109654.db2.gz SSOPRBFADJMCSV-ULQDDVLXSA-N 1 1 341.561 3.693 50 0 EHAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000249697073 564111698 /nfs/dbraw/zinc/11/16/98/564111698.db2.gz UDLCVVUVZHRAIT-WOJBJXKFSA-N 1 1 339.483 3.576 50 0 EHAAMO C[C@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1nnc2n1CCCC2 ZINC000089913863 564115222 /nfs/dbraw/zinc/11/52/22/564115222.db2.gz LRBNDNQXQCFKIE-HNNXBMFYSA-N 1 1 340.471 3.787 50 0 EHAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000252452792 564118526 /nfs/dbraw/zinc/11/85/26/564118526.db2.gz DINOAOFUBPAGPQ-WMZOPIPTSA-N 1 1 345.464 3.528 50 0 EHAAMO CC1(C)[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000252510672 564120079 /nfs/dbraw/zinc/12/00/79/564120079.db2.gz ZOAJJSZDEJSXCZ-DUXKGJEZSA-N 1 1 342.527 3.659 50 0 EHAAMO CC(C)CC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000027346203 564120755 /nfs/dbraw/zinc/12/07/55/564120755.db2.gz UJRBNYNJUHBHGB-GOSISDBHSA-N 1 1 325.880 3.686 50 0 EHAAMO Fc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370583 564130324 /nfs/dbraw/zinc/13/03/24/564130324.db2.gz SQDVGCZMAIJVAC-UFYCRDLUSA-N 1 1 325.431 3.527 50 0 EHAAMO Cc1ncsc1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253417416 564130794 /nfs/dbraw/zinc/13/07/94/564130794.db2.gz DOVGSLIDZZVPFS-NSHDSACASA-N 1 1 344.406 3.616 50 0 EHAAMO Cc1ncsc1CC[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000253417416 564130795 /nfs/dbraw/zinc/13/07/95/564130795.db2.gz DOVGSLIDZZVPFS-NSHDSACASA-N 1 1 344.406 3.616 50 0 EHAAMO Cc1ncsc1CC[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000253417416 564130796 /nfs/dbraw/zinc/13/07/96/564130796.db2.gz DOVGSLIDZZVPFS-NSHDSACASA-N 1 1 344.406 3.616 50 0 EHAAMO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000584895813 564131637 /nfs/dbraw/zinc/13/16/37/564131637.db2.gz KAEXIOXSEOJXAB-HXUWFJFHSA-N 1 1 337.467 3.589 50 0 EHAAMO COCC[C@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000079072629 564137829 /nfs/dbraw/zinc/13/78/29/564137829.db2.gz GAOHGKRBPGVNKH-IBGZPJMESA-N 1 1 338.495 3.819 50 0 EHAAMO O=C(OCCCc1cccnc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095461501 564140791 /nfs/dbraw/zinc/14/07/91/564140791.db2.gz XQNGSUQAGWAVMR-HXUWFJFHSA-N 1 1 338.451 3.612 50 0 EHAAMO O=C(OCCCc1cccnc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095461501 564140792 /nfs/dbraw/zinc/14/07/92/564140792.db2.gz XQNGSUQAGWAVMR-HXUWFJFHSA-N 1 1 338.451 3.612 50 0 EHAAMO OC[C@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000280252087 564141777 /nfs/dbraw/zinc/14/17/77/564141777.db2.gz LDSNTXAYMMSINR-AWEZNQCLSA-N 1 1 330.737 3.577 50 0 EHAAMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000095941367 564142070 /nfs/dbraw/zinc/14/20/70/564142070.db2.gz DNMZSGKNZKRJDJ-INIZCTEOSA-N 1 1 342.487 3.670 50 0 EHAAMO CCc1nc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2o1 ZINC000096434973 564148024 /nfs/dbraw/zinc/14/80/24/564148024.db2.gz PMHKJNJPOVEOTD-GOOCMWNKSA-N 1 1 342.443 3.527 50 0 EHAAMO O=C(Nc1cccs1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689731 564150319 /nfs/dbraw/zinc/15/03/19/564150319.db2.gz VQLAJWXCBOMFBE-UHFFFAOYSA-N 1 1 347.509 3.864 50 0 EHAAMO Cn1cccc1[C@@H]1CCC[N@H+]1[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369647 564153785 /nfs/dbraw/zinc/15/37/85/564153785.db2.gz AYWSYBGARSBCCX-PMACEKPBSA-N 1 1 337.467 3.526 50 0 EHAAMO CSc1ccc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000057475466 564154413 /nfs/dbraw/zinc/15/44/13/564154413.db2.gz CMWXGVIKQWPAEI-LJQANCHMSA-N 1 1 340.492 3.860 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000057475466 564154414 /nfs/dbraw/zinc/15/44/14/564154414.db2.gz CMWXGVIKQWPAEI-LJQANCHMSA-N 1 1 340.492 3.860 50 0 EHAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(OC)c2)CC1 ZINC000003060170 564154811 /nfs/dbraw/zinc/15/48/11/564154811.db2.gz BCSDSNZEZWYDSX-CQSZACIVSA-N 1 1 335.517 3.587 50 0 EHAAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000008492539 564165484 /nfs/dbraw/zinc/16/54/84/564165484.db2.gz ZTKFFHVCZJBRJK-CYBMUJFWSA-N 1 1 332.831 3.808 50 0 EHAAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000008492539 564165485 /nfs/dbraw/zinc/16/54/85/564165485.db2.gz ZTKFFHVCZJBRJK-CYBMUJFWSA-N 1 1 332.831 3.808 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714044 564166653 /nfs/dbraw/zinc/16/66/53/564166653.db2.gz SSTJBMWXCJOAPU-OAHLLOKOSA-N 1 1 342.439 3.800 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(N(C)C)cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000008724465 564166994 /nfs/dbraw/zinc/16/69/94/564166994.db2.gz FQWZGERBUZJMLM-CQSZACIVSA-N 1 1 345.874 3.865 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(N(C)C)cc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008724465 564166995 /nfs/dbraw/zinc/16/69/95/564166995.db2.gz FQWZGERBUZJMLM-CQSZACIVSA-N 1 1 345.874 3.865 50 0 EHAAMO O[C@@H](C[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000069617092 564170881 /nfs/dbraw/zinc/17/08/81/564170881.db2.gz FMZGXERDRMQOEO-AEFFLSMTSA-N 1 1 333.378 3.811 50 0 EHAAMO Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000069630124 564171063 /nfs/dbraw/zinc/17/10/63/564171063.db2.gz NIXSRPIHELLZIW-HNNXBMFYSA-N 1 1 338.386 3.650 50 0 EHAAMO CC(C)[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000069708819 564171702 /nfs/dbraw/zinc/17/17/02/564171702.db2.gz HGDDEPBTCSDVEV-INIZCTEOSA-N 1 1 342.405 3.665 50 0 EHAAMO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)s1 ZINC000069772981 564172087 /nfs/dbraw/zinc/17/20/87/564172087.db2.gz BOOSFBOXDRPPFZ-ARFHVFGLSA-N 1 1 329.469 3.529 50 0 EHAAMO CC(C)(C)C[N@@H+](Cc1nc(C2CC2)no1)C[C@@H](O)c1ccccc1 ZINC000070007159 564173234 /nfs/dbraw/zinc/17/32/34/564173234.db2.gz UTXRMKOUXLZGGQ-MRXNPFEDSA-N 1 1 329.444 3.529 50 0 EHAAMO CC(C)(C)C[N@H+](Cc1nc(C2CC2)no1)C[C@@H](O)c1ccccc1 ZINC000070007159 564173235 /nfs/dbraw/zinc/17/32/35/564173235.db2.gz UTXRMKOUXLZGGQ-MRXNPFEDSA-N 1 1 329.444 3.529 50 0 EHAAMO C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000071846869 564175964 /nfs/dbraw/zinc/17/59/64/564175964.db2.gz DHHPTCWYCSUJNT-HXUWFJFHSA-N 1 1 348.490 3.791 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000071870647 564176168 /nfs/dbraw/zinc/17/61/68/564176168.db2.gz XBJMZECHDVUCDY-CYBMUJFWSA-N 1 1 335.810 3.715 50 0 EHAAMO c1cc(-c2nc(C[N@H+]3CCCC[C@H]3Cn3cncn3)cs2)cs1 ZINC000071876245 564176281 /nfs/dbraw/zinc/17/62/81/564176281.db2.gz JBYWXOSSEHLION-HNNXBMFYSA-N 1 1 345.497 3.518 50 0 EHAAMO c1cc(-c2nc(C[N@@H+]3CCCC[C@H]3Cn3cncn3)cs2)cs1 ZINC000071876245 564176282 /nfs/dbraw/zinc/17/62/82/564176282.db2.gz JBYWXOSSEHLION-HNNXBMFYSA-N 1 1 345.497 3.518 50 0 EHAAMO Cn1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)c(-c2ccncc2)n1 ZINC000290095449 1017650663 /nfs/dbraw/zinc/65/06/63/1017650663.db2.gz HHGQQKPHKNAMCL-UHFFFAOYSA-N 1 1 348.450 3.655 50 0 EHAAMO Cc1ccc(N2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)[nH+]c1 ZINC000194104831 1023109331 /nfs/dbraw/zinc/10/93/31/1023109331.db2.gz AVZFGSKSFXDPCI-UHFFFAOYSA-N 1 1 346.434 3.793 50 0 EHAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1C ZINC000000240807 1033420272 /nfs/dbraw/zinc/42/02/72/1033420272.db2.gz RWPWXOJCVUVNSI-UHFFFAOYSA-N 1 1 327.424 3.579 50 0 EHAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1C ZINC000000240807 1033420281 /nfs/dbraw/zinc/42/02/81/1033420281.db2.gz RWPWXOJCVUVNSI-UHFFFAOYSA-N 1 1 327.424 3.579 50 0 EHAAMO CCC[C@]1(COC)CCC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000194945796 1035228659 /nfs/dbraw/zinc/22/86/59/1035228659.db2.gz MSNVXGFDZXBOGH-HXUWFJFHSA-N 1 1 343.471 3.750 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000824629485 1131214555 /nfs/dbraw/zinc/21/45/55/1131214555.db2.gz ZPOFWMWSUBCBQK-LJQANCHMSA-N 1 1 337.398 3.967 50 0 EHAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000824629485 1131214557 /nfs/dbraw/zinc/21/45/57/1131214557.db2.gz ZPOFWMWSUBCBQK-LJQANCHMSA-N 1 1 337.398 3.967 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@H](n3c(C)cnc3C3CC3)C2)c1 ZINC000575544687 1131568581 /nfs/dbraw/zinc/56/85/81/1131568581.db2.gz ALRGZUHYOINNKC-GOSISDBHSA-N 1 1 325.456 3.915 50 0 EHAAMO Cc1cnc(C[C@@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544784 1131568633 /nfs/dbraw/zinc/56/86/33/1131568633.db2.gz BHNUUWIJPIZOQR-FQEVSTJZSA-N 1 1 346.478 3.699 50 0 EHAAMO Cc1cnc(C[C@@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544784 1131568636 /nfs/dbraw/zinc/56/86/36/1131568636.db2.gz BHNUUWIJPIZOQR-FQEVSTJZSA-N 1 1 346.478 3.699 50 0 EHAAMO COc1cccc(C[N@H+]2CC[C@H](n3c(C)cnc3-c3ccccc3)C2)n1 ZINC000581808365 1132371602 /nfs/dbraw/zinc/37/16/02/1132371602.db2.gz SGOAFLSRDBMWIR-IBGZPJMESA-N 1 1 348.450 3.709 50 0 EHAAMO CC[N@@H+](C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)cc1 ZINC000048441698 1135586676 /nfs/dbraw/zinc/58/66/76/1135586676.db2.gz NVWHFGLSRRCTFO-UHFFFAOYSA-N 1 1 325.334 3.628 50 0 EHAAMO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192069926 1136985948 /nfs/dbraw/zinc/98/59/48/1136985948.db2.gz DMLYTYLIFUFOGG-IBGZPJMESA-N 1 1 339.464 3.816 50 0 EHAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192069926 1136985950 /nfs/dbraw/zinc/98/59/50/1136985950.db2.gz DMLYTYLIFUFOGG-IBGZPJMESA-N 1 1 339.464 3.816 50 0 EHAAMO CSC1(c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000585120314 1137012277 /nfs/dbraw/zinc/01/22/77/1137012277.db2.gz HFOFJUCEAHSKQF-OAHLLOKOSA-N 1 1 329.469 3.801 50 0 EHAAMO O=C(/C=C\c1sc2ccccc2c1Cl)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000222143173 1138245404 /nfs/dbraw/zinc/24/54/04/1138245404.db2.gz DFDLRSWTKGRVRL-KRZKBDHCSA-N 1 1 346.883 3.921 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000052454425 214129761 /nfs/dbraw/zinc/12/97/61/214129761.db2.gz XLFFQSJBBQFPLJ-HXUWFJFHSA-N 1 1 338.426 3.548 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000052454425 214129766 /nfs/dbraw/zinc/12/97/66/214129766.db2.gz XLFFQSJBBQFPLJ-HXUWFJFHSA-N 1 1 338.426 3.548 50 0 EHAAMO CC[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000097713679 219050541 /nfs/dbraw/zinc/05/05/41/219050541.db2.gz IYMKUHQLXYVTSR-IBGZPJMESA-N 1 1 325.456 3.533 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055074539 214269868 /nfs/dbraw/zinc/26/98/68/214269868.db2.gz MTGXSQRVWMLQKQ-CQSZACIVSA-N 1 1 344.402 3.935 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000055183300 214285619 /nfs/dbraw/zinc/28/56/19/214285619.db2.gz QTTSYZYVECSWSE-GOSISDBHSA-N 1 1 341.480 3.707 50 0 EHAAMO CCC[N@H+](Cc1nccn1CCOC)Cc1ccc(SC)cc1 ZINC000055253537 214297193 /nfs/dbraw/zinc/29/71/93/214297193.db2.gz UINSTGJUSKYZGS-UHFFFAOYSA-N 1 1 333.501 3.664 50 0 EHAAMO CCC[N@@H+](Cc1nccn1CCOC)Cc1ccc(SC)cc1 ZINC000055253537 214297196 /nfs/dbraw/zinc/29/71/96/214297196.db2.gz UINSTGJUSKYZGS-UHFFFAOYSA-N 1 1 333.501 3.664 50 0 EHAAMO CCc1nc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)[nH]1 ZINC000055413284 214321369 /nfs/dbraw/zinc/32/13/69/214321369.db2.gz SZEQMECIFZBLEZ-KRWDZBQOSA-N 1 1 331.435 3.601 50 0 EHAAMO CCc1nc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)[nH]1 ZINC000055413284 214321372 /nfs/dbraw/zinc/32/13/72/214321372.db2.gz SZEQMECIFZBLEZ-KRWDZBQOSA-N 1 1 331.435 3.601 50 0 EHAAMO CN(C)c1nc(Cl)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000097819512 219058507 /nfs/dbraw/zinc/05/85/07/219058507.db2.gz UNMFCMPJKDGLHW-GFCCVEGCSA-N 1 1 339.867 3.991 50 0 EHAAMO CC(C)n1c(=O)c2ccccc2nc1SCC[C@@H]1CCCC[N@H+]1C ZINC000049710918 214028669 /nfs/dbraw/zinc/02/86/69/214028669.db2.gz XOVRBEZXJRCPCF-HNNXBMFYSA-N 1 1 345.512 3.944 50 0 EHAAMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000067559249 215162687 /nfs/dbraw/zinc/16/26/87/215162687.db2.gz TUQIBHIHSGGTIV-HNNXBMFYSA-N 1 1 325.412 3.552 50 0 EHAAMO COc1ccc(-c2nc(Cn3cc[nH+]c3C)c(C)o2)c(OC)c1C ZINC000067934162 215252583 /nfs/dbraw/zinc/25/25/83/215252583.db2.gz VZDZRZNMVSZGPW-UHFFFAOYSA-N 1 1 327.384 3.529 50 0 EHAAMO Cc1cccc(Cl)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067983181 215267559 /nfs/dbraw/zinc/26/75/59/215267559.db2.gz WXNNUQJUWXEFGE-OAHLLOKOSA-N 1 1 346.858 3.883 50 0 EHAAMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000104118592 219347958 /nfs/dbraw/zinc/34/79/58/219347958.db2.gz UBWQYEJYEDQQDU-ONFKWDQZSA-N 1 1 349.478 3.606 50 0 EHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)N[C@H](C)CC)Cc2ccccc2O1 ZINC000104359326 219378825 /nfs/dbraw/zinc/37/88/25/219378825.db2.gz MPTABDQFUILGFO-SJLPKXTDSA-N 1 1 332.488 3.745 50 0 EHAAMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)o1 ZINC000040139472 213270870 /nfs/dbraw/zinc/27/08/70/213270870.db2.gz MTFNOOQGGGQVHA-HNNXBMFYSA-N 1 1 347.484 3.628 50 0 EHAAMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccccc2n1 ZINC000040012985 213250710 /nfs/dbraw/zinc/25/07/10/213250710.db2.gz DPIVJBLDYQDFBQ-OAQYLSRUSA-N 1 1 345.446 3.672 50 0 EHAAMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c2ccccc2n1 ZINC000040012985 213250712 /nfs/dbraw/zinc/25/07/12/213250712.db2.gz DPIVJBLDYQDFBQ-OAQYLSRUSA-N 1 1 345.446 3.672 50 0 EHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102518 213067630 /nfs/dbraw/zinc/06/76/30/213067630.db2.gz COHZJOCDAYHJNO-OAQYLSRUSA-N 1 1 345.458 3.861 50 0 EHAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000036101858 213066964 /nfs/dbraw/zinc/06/69/64/213066964.db2.gz ATQUHNJEYULNQH-OAQYLSRUSA-N 1 1 325.452 3.537 50 0 EHAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2)cc1 ZINC000036094926 213063952 /nfs/dbraw/zinc/06/39/52/213063952.db2.gz QPVYCYPGIACDSH-FQEVSTJZSA-N 1 1 327.468 3.893 50 0 EHAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2)o1 ZINC000036031160 213056845 /nfs/dbraw/zinc/05/68/45/213056845.db2.gz QFBFTFLPMYZJMQ-SFHVURJKSA-N 1 1 331.456 3.876 50 0 EHAAMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072137189 216024727 /nfs/dbraw/zinc/02/47/27/216024727.db2.gz ROARYECCFRWSLV-HNNXBMFYSA-N 1 1 338.442 3.524 50 0 EHAAMO CC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2OC)CC[N@H+]1C(C)C ZINC000072149354 216037274 /nfs/dbraw/zinc/03/72/74/216037274.db2.gz QTZVNEJTGUPMCP-OAHLLOKOSA-N 1 1 340.895 3.662 50 0 EHAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072150127 216037790 /nfs/dbraw/zinc/03/77/90/216037790.db2.gz JRGFXKDCMMMIAA-BHDDXSALSA-N 1 1 336.479 3.959 50 0 EHAAMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c1 ZINC000072154036 216044240 /nfs/dbraw/zinc/04/42/40/216044240.db2.gz LUSFVAIUDDLUNV-LJQANCHMSA-N 1 1 325.408 3.819 50 0 EHAAMO Cc1ccccc1C[N@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072155966 216046029 /nfs/dbraw/zinc/04/60/29/216046029.db2.gz GVQJRDJXPBWYLD-YTFSRNRJSA-N 1 1 348.490 3.763 50 0 EHAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3F)C2)cc1=O ZINC000072165585 216054396 /nfs/dbraw/zinc/05/43/96/216054396.db2.gz FGQRADUSWQMHNK-OAHLLOKOSA-N 1 1 344.430 3.780 50 0 EHAAMO Fc1cc(CN2CCC[N@@H+](Cc3cccnc3)CC2)ccc1Cl ZINC000072169271 216060509 /nfs/dbraw/zinc/06/05/09/216060509.db2.gz KNPKTJYVPJBVAI-UHFFFAOYSA-N 1 1 333.838 3.582 50 0 EHAAMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000072303974 216142069 /nfs/dbraw/zinc/14/20/69/216142069.db2.gz JZURJAOIBNOFEI-OAHLLOKOSA-N 1 1 342.487 3.810 50 0 EHAAMO CCCNc1ncc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cn1 ZINC000072430584 216224206 /nfs/dbraw/zinc/22/42/06/216224206.db2.gz ADNPJJQICHWKSU-UHFFFAOYSA-N 1 1 340.471 3.650 50 0 EHAAMO CCCc1ncc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000072435884 216231323 /nfs/dbraw/zinc/23/13/23/216231323.db2.gz HTHYNLBMMHGXGM-INIZCTEOSA-N 1 1 343.446 3.859 50 0 EHAAMO CCCn1cnc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3C(C)C)s2)n1 ZINC000023619343 212386290 /nfs/dbraw/zinc/38/62/90/212386290.db2.gz GYLAYTBFHCJJNM-ZDUSSCGKSA-N 1 1 347.488 3.547 50 0 EHAAMO CSc1cccc(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000215327459 241120965 /nfs/dbraw/zinc/12/09/65/241120965.db2.gz NWIPCQZJKQZLME-SFHVURJKSA-N 1 1 328.481 3.985 50 0 EHAAMO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CCCO3)CC2)c1 ZINC000214981752 241100016 /nfs/dbraw/zinc/10/00/16/241100016.db2.gz NZTTZAOYJMQDCP-LJQANCHMSA-N 1 1 329.419 3.751 50 0 EHAAMO C[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccc2nonc2c1 ZINC000216170993 241169803 /nfs/dbraw/zinc/16/98/03/241169803.db2.gz VPSZXRJPCKWWCZ-MRXNPFEDSA-N 1 1 329.425 3.768 50 0 EHAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2ccccc2Cn2cccn2)c1 ZINC000216256158 241177041 /nfs/dbraw/zinc/17/70/41/241177041.db2.gz HUKUXTJAOZEVEH-OAQYLSRUSA-N 1 1 349.482 3.573 50 0 EHAAMO CCOC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215414277 241126100 /nfs/dbraw/zinc/12/61/00/241126100.db2.gz YVNDAHHRLHXVKM-HNNXBMFYSA-N 1 1 339.439 3.834 50 0 EHAAMO CC(C)Oc1c(Cl)cc(CN(C)[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000219315169 241380775 /nfs/dbraw/zinc/38/07/75/241380775.db2.gz JOONLDPZOSSDFE-ZDUSSCGKSA-N 1 1 331.287 3.917 50 0 EHAAMO Cc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021175104 212213942 /nfs/dbraw/zinc/21/39/42/212213942.db2.gz SXUUKXKOSLKCHB-UHFFFAOYSA-N 1 1 337.467 3.873 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000243932673 243034544 /nfs/dbraw/zinc/03/45/44/243034544.db2.gz BXRGWAUSBQCCPM-CQSZACIVSA-N 1 1 344.890 3.789 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)ccc1F)[NH2+]CC2 ZINC000020506969 212141359 /nfs/dbraw/zinc/14/13/59/212141359.db2.gz PZZOOHNIMXTUHR-FQEVSTJZSA-N 1 1 345.414 3.867 50 0 EHAAMO CCOc1cc2c(cc1OCC)[C@@H](c1c(F)cccc1F)[NH2+]CC2 ZINC000020506817 212141392 /nfs/dbraw/zinc/14/13/92/212141392.db2.gz IKWUIQMKXXXZTJ-IBGZPJMESA-N 1 1 333.378 3.997 50 0 EHAAMO O=C(/C=C/c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020432527 212128683 /nfs/dbraw/zinc/12/86/83/212128683.db2.gz ZNDVHBDQEYOYQN-DHZHZOJOSA-N 1 1 340.854 3.698 50 0 EHAAMO Cc1ccccc1CN1CC[N@H+](C2CCCCCC2)C[C@@H]1CCO ZINC000020205094 212111195 /nfs/dbraw/zinc/11/11/95/212111195.db2.gz NUCZWUZBBUVJOV-NRFANRHFSA-N 1 1 330.516 3.586 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000019299829 212013052 /nfs/dbraw/zinc/01/30/52/212013052.db2.gz LGQTUABIURCMID-CQSZACIVSA-N 1 1 345.464 3.589 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000019299829 212013055 /nfs/dbraw/zinc/01/30/55/212013055.db2.gz LGQTUABIURCMID-CQSZACIVSA-N 1 1 345.464 3.589 50 0 EHAAMO CCOc1ccccc1-c1nc(C[N@@H+](CCOC)C(C)C)c(C)o1 ZINC000012457920 211389273 /nfs/dbraw/zinc/38/92/73/211389273.db2.gz AUVSDSYTDCADBQ-UHFFFAOYSA-N 1 1 332.444 3.906 50 0 EHAAMO CCC(=O)NC[C@H](C)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012332846 211349935 /nfs/dbraw/zinc/34/99/35/211349935.db2.gz AHNHHVWKJODVRR-HNNXBMFYSA-N 1 1 346.496 3.674 50 0 EHAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1C ZINC000012308497 211341578 /nfs/dbraw/zinc/34/15/78/211341578.db2.gz QYYQDOQWLOYMQP-SFHVURJKSA-N 1 1 338.451 3.802 50 0 EHAAMO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000012300170 211336793 /nfs/dbraw/zinc/33/67/93/211336793.db2.gz OEAXJKOGBOSWQW-LBPRGKRZSA-N 1 1 325.424 3.755 50 0 EHAAMO CN(C(=O)c1ccsc1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012094210 211289697 /nfs/dbraw/zinc/28/96/97/211289697.db2.gz HYZCHUGNAROATJ-IBGZPJMESA-N 1 1 342.508 3.917 50 0 EHAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000011842843 211256644 /nfs/dbraw/zinc/25/66/44/211256644.db2.gz KUPFVRFPCGJAIL-INIZCTEOSA-N 1 1 331.847 3.522 50 0 EHAAMO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)n1 ZINC000011665027 211231912 /nfs/dbraw/zinc/23/19/12/211231912.db2.gz BWGCHLSUUDZKQD-CQSZACIVSA-N 1 1 330.378 3.763 50 0 EHAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)n1 ZINC000011665027 211231914 /nfs/dbraw/zinc/23/19/14/211231914.db2.gz BWGCHLSUUDZKQD-CQSZACIVSA-N 1 1 330.378 3.763 50 0 EHAAMO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000092076997 218115482 /nfs/dbraw/zinc/11/54/82/218115482.db2.gz BNKAFTCORKNLEI-KRWDZBQOSA-N 1 1 338.904 3.626 50 0 EHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 ZINC000092081313 218117707 /nfs/dbraw/zinc/11/77/07/218117707.db2.gz XSOOLSQOCWPWHD-GOSISDBHSA-N 1 1 341.524 3.845 50 0 EHAAMO CC[C@]1(CO)CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000092097495 218118473 /nfs/dbraw/zinc/11/84/73/218118473.db2.gz PJCBBQXGUOFGJX-IBGZPJMESA-N 1 1 345.874 3.782 50 0 EHAAMO Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648788 218156199 /nfs/dbraw/zinc/15/61/99/218156199.db2.gz CKRYMNHWIIGSOK-UHFFFAOYSA-N 1 1 327.325 3.878 50 0 EHAAMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000010328334 211164614 /nfs/dbraw/zinc/16/46/14/211164614.db2.gz UKSKEEZEIOXCEK-FQEVSTJZSA-N 1 1 348.446 3.908 50 0 EHAAMO COc1ccc2cc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)ccc2c1 ZINC000010180718 211153639 /nfs/dbraw/zinc/15/36/39/211153639.db2.gz QJXQGRIVSKUNAY-NRFANRHFSA-N 1 1 348.446 3.768 50 0 EHAAMO Cc1sc(NC(=O)C[N@@H+](C)CC2CC2)nc1-c1ccc(F)cc1 ZINC000095357308 218290558 /nfs/dbraw/zinc/29/05/58/218290558.db2.gz QTSLJZFHFHBJAG-UHFFFAOYSA-N 1 1 333.432 3.538 50 0 EHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000095367727 218299840 /nfs/dbraw/zinc/29/98/40/218299840.db2.gz OBAMXGCAQOKKBL-MRXNPFEDSA-N 1 1 340.920 3.564 50 0 EHAAMO Cc1nc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000095423522 218366139 /nfs/dbraw/zinc/36/61/39/218366139.db2.gz RQGCFWVSNPUPSO-LBPRGKRZSA-N 1 1 331.441 3.567 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NCc2ccc3c(c2)OCCO3)cc1 ZINC000095429032 218372264 /nfs/dbraw/zinc/37/22/64/218372264.db2.gz DSNNCXXRQFOBPQ-UHFFFAOYSA-N 1 1 335.407 3.623 50 0 EHAAMO CCOc1cccc(CN2CCC[N@H+](C(C)C)CC2)c1OC(F)F ZINC000095453824 218397796 /nfs/dbraw/zinc/39/77/96/218397796.db2.gz HWIARXOSZQRUHA-UHFFFAOYSA-N 1 1 342.430 3.603 50 0 EHAAMO Cc1ccc(-n2nnnc2C2([NH+](C)C)CCC(C(C)(C)C)CC2)cc1 ZINC000005020997 210365286 /nfs/dbraw/zinc/36/52/86/210365286.db2.gz KLZXWDMNNDBZHW-UHFFFAOYSA-N 1 1 341.503 3.964 50 0 EHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004910683 210321484 /nfs/dbraw/zinc/32/14/84/210321484.db2.gz PSXCIQYZYFBZTN-SFHVURJKSA-N 1 1 349.459 3.743 50 0 EHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004910683 210321486 /nfs/dbraw/zinc/32/14/86/210321486.db2.gz PSXCIQYZYFBZTN-SFHVURJKSA-N 1 1 349.459 3.743 50 0 EHAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000004871641 210309395 /nfs/dbraw/zinc/30/93/95/210309395.db2.gz URLNSGPOCKGZAN-INIZCTEOSA-N 1 1 339.483 3.626 50 0 EHAAMO C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000004834861 210291867 /nfs/dbraw/zinc/29/18/67/210291867.db2.gz APQVXJNBJOYYKX-HOTGVXAUSA-N 1 1 331.481 3.734 50 0 EHAAMO C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C)C1 ZINC000004834861 210291869 /nfs/dbraw/zinc/29/18/69/210291869.db2.gz APQVXJNBJOYYKX-HOTGVXAUSA-N 1 1 331.481 3.734 50 0 EHAAMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000057568232 258061781 /nfs/dbraw/zinc/06/17/81/258061781.db2.gz BXVDWYQPFJVSNQ-KZULUSFZSA-N 1 1 330.378 3.635 50 0 EHAAMO CC1(C)CCc2cc(C[NH+]3CCN(c4ccccn4)CC3)ccc2O1 ZINC000004325156 135663495 /nfs/dbraw/zinc/66/34/95/135663495.db2.gz NSKUGSOHXNHRAT-UHFFFAOYSA-N 1 1 337.467 3.507 50 0 EHAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)C)cc1 ZINC000036101737 524420377 /nfs/dbraw/zinc/42/03/77/524420377.db2.gz WSSHOTRPWQNXIK-NRFANRHFSA-N 1 1 327.468 3.783 50 0 EHAAMO C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])cc1 ZINC000215297907 536020296 /nfs/dbraw/zinc/02/02/96/536020296.db2.gz PNCUYZOARGHBBF-FQEVSTJZSA-N 1 1 338.451 3.784 50 0 EHAAMO COc1ccc(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005525672 563537410 /nfs/dbraw/zinc/53/74/10/563537410.db2.gz BJLIVVSDLXNEDM-ZWKOTPCHSA-N 1 1 329.827 3.877 50 0 EHAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012581882 563663816 /nfs/dbraw/zinc/66/38/16/563663816.db2.gz RVTCNQBVZIHZAO-GOSISDBHSA-N 1 1 347.462 3.977 50 0 EHAAMO Cc1ccc(-n2cc(C[N@@H+](C)CCO)c(-c3cccc(C)c3)n2)cc1 ZINC000012593966 563664679 /nfs/dbraw/zinc/66/46/79/563664679.db2.gz VOFBGKDVBQMWKN-UHFFFAOYSA-N 1 1 335.451 3.580 50 0 EHAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1C ZINC000013595556 563703228 /nfs/dbraw/zinc/70/32/28/563703228.db2.gz ITOLHAUUQSTUHF-KRWDZBQOSA-N 1 1 338.451 3.802 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)o1 ZINC000015860128 563796494 /nfs/dbraw/zinc/79/64/94/563796494.db2.gz KBDFFSXHYASISE-LJQANCHMSA-N 1 1 336.435 3.703 50 0 EHAAMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000016344544 563809334 /nfs/dbraw/zinc/80/93/34/563809334.db2.gz ZTDOTOVLNCHEGA-MOPGFXCFSA-N 1 1 339.435 3.718 50 0 EHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000016420866 563810878 /nfs/dbraw/zinc/81/08/78/563810878.db2.gz OGYBNEDUCKDRQI-HNNXBMFYSA-N 1 1 328.481 3.634 50 0 EHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000016420866 563810881 /nfs/dbraw/zinc/81/08/81/563810881.db2.gz OGYBNEDUCKDRQI-HNNXBMFYSA-N 1 1 328.481 3.634 50 0 EHAAMO O=C(Nc1cccc2cccnc21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043529559 563901396 /nfs/dbraw/zinc/90/13/96/563901396.db2.gz NXCOJCZRTMSUGN-GOSISDBHSA-N 1 1 346.434 3.631 50 0 EHAAMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000072305281 563914703 /nfs/dbraw/zinc/91/47/03/563914703.db2.gz VEAPHQILEOGZKU-GFCCVEGCSA-N 1 1 345.712 3.876 50 0 EHAAMO Cc1nc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)s1 ZINC000269866599 563932646 /nfs/dbraw/zinc/93/26/46/563932646.db2.gz SSDJXCHSFBUJOK-DOTOQJQBSA-N 1 1 341.480 3.516 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCCc2ccccc21 ZINC000058344425 563943227 /nfs/dbraw/zinc/94/32/27/563943227.db2.gz DAXIILFFLMHOCH-LJQANCHMSA-N 1 1 338.426 3.942 50 0 EHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCCc2ccccc21 ZINC000058344425 563943228 /nfs/dbraw/zinc/94/32/28/563943228.db2.gz DAXIILFFLMHOCH-LJQANCHMSA-N 1 1 338.426 3.942 50 0 EHAAMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000058419404 563945732 /nfs/dbraw/zinc/94/57/32/563945732.db2.gz KXJUJDGUXFPBBY-NRFANRHFSA-N 1 1 347.462 3.769 50 0 EHAAMO c1coc(-c2noc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)n2)c1 ZINC000096424359 563951857 /nfs/dbraw/zinc/95/18/57/563951857.db2.gz FJRWGIBDKHIKCC-UHFFFAOYSA-N 1 1 349.394 3.586 50 0 EHAAMO CC[C@H]([NH2+]Cc1nc(C)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000096443627 563953183 /nfs/dbraw/zinc/95/31/83/563953183.db2.gz JAMBTKBIRJAJHK-VIFPVBQESA-N 1 1 331.363 3.812 50 0 EHAAMO Cc1cccc(-c2nnc(C[N@H+](C[C@H](O)c3ccccc3)C3CC3)o2)c1 ZINC000096469673 563954465 /nfs/dbraw/zinc/95/44/65/563954465.db2.gz DOGYHDFMKCGYRB-IBGZPJMESA-N 1 1 349.434 3.743 50 0 EHAAMO Cc1cccc(-c2nnc(C[N@@H+](C[C@H](O)c3ccccc3)C3CC3)o2)c1 ZINC000096469673 563954466 /nfs/dbraw/zinc/95/44/66/563954466.db2.gz DOGYHDFMKCGYRB-IBGZPJMESA-N 1 1 349.434 3.743 50 0 EHAAMO COc1ccc(-n2nc(C)nc2[C@@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000065372430 563958669 /nfs/dbraw/zinc/95/86/69/563958669.db2.gz DBXKNUNGYQABBZ-CYBMUJFWSA-N 1 1 325.416 3.514 50 0 EHAAMO CC(=O)N[C@@H](C)C1=CCC[N@H+](Cc2cccc(F)c2C(F)(F)F)C1 ZINC000065375664 563958925 /nfs/dbraw/zinc/95/89/25/563958925.db2.gz JRZPHAMSELGHIA-NSHDSACASA-N 1 1 344.352 3.501 50 0 EHAAMO CC(=O)N[C@@H](C)C1=CCC[N@@H+](Cc2cccc(F)c2C(F)(F)F)C1 ZINC000065375664 563958926 /nfs/dbraw/zinc/95/89/26/563958926.db2.gz JRZPHAMSELGHIA-NSHDSACASA-N 1 1 344.352 3.501 50 0 EHAAMO COc1ccccc1/C=C/C[N@H+]1CC[C@@H](c2sccc2C)[C@H](O)C1 ZINC000065387743 563959365 /nfs/dbraw/zinc/95/93/65/563959365.db2.gz FAVMOTJLCCBYIX-JORFTBQQSA-N 1 1 343.492 3.929 50 0 EHAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1scnc1-c1ccccc1 ZINC000065433574 563960941 /nfs/dbraw/zinc/96/09/41/563960941.db2.gz ROBHAPRGFOOGLI-MRXNPFEDSA-N 1 1 343.496 3.691 50 0 EHAAMO Cc1nc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c2ccccn12 ZINC000071416090 563964368 /nfs/dbraw/zinc/96/43/68/563964368.db2.gz OTSJHUJQJPPEJO-NRFANRHFSA-N 1 1 340.515 3.585 50 0 EHAAMO Cc1nc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c2ccccn12 ZINC000071416090 563964369 /nfs/dbraw/zinc/96/43/69/563964369.db2.gz OTSJHUJQJPPEJO-NRFANRHFSA-N 1 1 340.515 3.585 50 0 EHAAMO c1ccc(CC[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071768083 563965592 /nfs/dbraw/zinc/96/55/92/563965592.db2.gz POIVQFIZIUPXIV-YTFSRNRJSA-N 1 1 332.491 3.791 50 0 EHAAMO CCCn1nc(C)c(Cn2cc[nH+]c2[C@@H]2CCOC(C)(C)C2)c1C ZINC000077287574 563968743 /nfs/dbraw/zinc/96/87/43/563968743.db2.gz KEDJJKHFHAYYCB-MRXNPFEDSA-N 1 1 330.476 3.827 50 0 EHAAMO Cc1[nH+]ccn1C[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077287457 563968752 /nfs/dbraw/zinc/96/87/52/563968752.db2.gz MNAZFAQNJBGVGV-QGZVFWFLSA-N 1 1 333.439 3.565 50 0 EHAAMO Cc1ccc2nc([C@@H]3CCCN3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505538 563970125 /nfs/dbraw/zinc/97/01/25/563970125.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 1 1 334.467 3.710 50 0 EHAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1CCn1ccnc1C ZINC000077537578 563970251 /nfs/dbraw/zinc/97/02/51/563970251.db2.gz BVDGIURJYNXOGG-OAHLLOKOSA-N 1 1 349.910 3.586 50 0 EHAAMO C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000097034073 563971252 /nfs/dbraw/zinc/97/12/52/563971252.db2.gz FJMMRBDTYLKEQH-NSHDSACASA-N 1 1 338.329 3.722 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@H+]3Cc4ccccc4[C@@H](O)C3)cn2)c1 ZINC000082096768 563972127 /nfs/dbraw/zinc/97/21/27/563972127.db2.gz DRBMVPWGXUATLH-FQEVSTJZSA-N 1 1 331.419 3.501 50 0 EHAAMO Cc1cccc(-c2ncc(C[N@@H+]3Cc4ccccc4[C@@H](O)C3)cn2)c1 ZINC000082096768 563972128 /nfs/dbraw/zinc/97/21/28/563972128.db2.gz DRBMVPWGXUATLH-FQEVSTJZSA-N 1 1 331.419 3.501 50 0 EHAAMO CCc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)ncn1 ZINC000082098347 563972209 /nfs/dbraw/zinc/97/22/09/563972209.db2.gz LSCIJGXKCFUZJQ-GOSISDBHSA-N 1 1 347.466 3.668 50 0 EHAAMO Cc1cccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000033312164 563973561 /nfs/dbraw/zinc/97/35/61/563973561.db2.gz LKYWSGPFWLCEJB-QGZVFWFLSA-N 1 1 329.488 3.971 50 0 EHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O ZINC000085375917 563973764 /nfs/dbraw/zinc/97/37/64/563973764.db2.gz LTGLPYAKYKUGJR-FOWTUZBSSA-N 1 1 348.468 3.811 50 0 EHAAMO O=C(NCCn1cc[nH+]c1C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000225567878 563974843 /nfs/dbraw/zinc/97/48/43/563974843.db2.gz OCRONUPOSGOKAY-UHFFFAOYSA-N 1 1 338.333 3.601 50 0 EHAAMO c1coc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1 ZINC000096150124 563979645 /nfs/dbraw/zinc/97/96/45/563979645.db2.gz UOJZUERDLFTWSG-CQSZACIVSA-N 1 1 349.394 3.586 50 0 EHAAMO c1coc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc5[nH]cnc5c4)no3)C2)c1 ZINC000096150124 563979646 /nfs/dbraw/zinc/97/96/46/563979646.db2.gz UOJZUERDLFTWSG-CQSZACIVSA-N 1 1 349.394 3.586 50 0 EHAAMO c1coc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc5[nH]cnc5c4)no3)C2)c1 ZINC000096150124 563979647 /nfs/dbraw/zinc/97/96/47/563979647.db2.gz UOJZUERDLFTWSG-CQSZACIVSA-N 1 1 349.394 3.586 50 0 EHAAMO C[NH+](C)Cc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)o1 ZINC000097213057 563981385 /nfs/dbraw/zinc/98/13/85/563981385.db2.gz NGRUAFUELHNARX-UHFFFAOYSA-N 1 1 336.435 3.542 50 0 EHAAMO Cc1nnc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)o1 ZINC000328586742 563984022 /nfs/dbraw/zinc/98/40/22/563984022.db2.gz UXROJJOVXXECJH-UHFFFAOYSA-N 1 1 325.437 3.609 50 0 EHAAMO Cc1nnc(C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)o1 ZINC000328586742 563984023 /nfs/dbraw/zinc/98/40/23/563984023.db2.gz UXROJJOVXXECJH-UHFFFAOYSA-N 1 1 325.437 3.609 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000247949707 563994845 /nfs/dbraw/zinc/99/48/45/563994845.db2.gz JLTYLGJBQZLBID-QLFBSQMISA-N 1 1 343.393 3.724 50 0 EHAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000329849011 563999652 /nfs/dbraw/zinc/99/96/52/563999652.db2.gz RSYJVTDCOWJJSZ-DOMZBBRYSA-N 1 1 335.835 3.952 50 0 EHAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000329849011 563999653 /nfs/dbraw/zinc/99/96/53/563999653.db2.gz RSYJVTDCOWJJSZ-DOMZBBRYSA-N 1 1 335.835 3.952 50 0 EHAAMO COc1cccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000273442676 564007782 /nfs/dbraw/zinc/00/77/82/564007782.db2.gz NQAWWRVIFBTFMA-QZTJIDSGSA-N 1 1 330.403 3.581 50 0 EHAAMO COc1cc(N[C@H]2CCC[N@H+](Cc3ncc(C)s3)C2)cc(OC)c1 ZINC000180607988 564013466 /nfs/dbraw/zinc/01/34/66/564013466.db2.gz RJWPDSYVHGCPRZ-AWEZNQCLSA-N 1 1 347.484 3.545 50 0 EHAAMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)cc(OC)c1 ZINC000180607988 564013467 /nfs/dbraw/zinc/01/34/67/564013467.db2.gz RJWPDSYVHGCPRZ-AWEZNQCLSA-N 1 1 347.484 3.545 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H](C)c2nc(-c3cccs3)no2)c1 ZINC000106843605 564026668 /nfs/dbraw/zinc/02/66/68/564026668.db2.gz DZYBMELWQBTESZ-KGLIPLIRSA-N 1 1 343.456 3.529 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H](C)c2nc(-c3cccs3)no2)c1 ZINC000106843605 564026669 /nfs/dbraw/zinc/02/66/69/564026669.db2.gz DZYBMELWQBTESZ-KGLIPLIRSA-N 1 1 343.456 3.529 50 0 EHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccco3)cc2)C1 ZINC000048310793 564030792 /nfs/dbraw/zinc/03/07/92/564030792.db2.gz VMPXSBLUFNKRIZ-IYBDPMFKSA-N 1 1 326.440 3.688 50 0 EHAAMO O=C(N1CCC[N@H+](C2CCCCC2)CC1)C1(c2ccccc2F)CC1 ZINC000222435382 564036865 /nfs/dbraw/zinc/03/68/65/564036865.db2.gz CWPYOJUKGPICHA-UHFFFAOYSA-N 1 1 344.474 3.724 50 0 EHAAMO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(C(C)C)n1 ZINC000426635524 564051438 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Cc1ccc(N2C(=O)C[C@@H]([N@H+](Cc3ccccc3)C3CC3)C2=O)c(C)c1 ZINC000012950229 564079834 /nfs/dbraw/zinc/07/98/34/564079834.db2.gz GRNLAGLCAFSXRJ-HXUWFJFHSA-N 1 1 348.446 3.600 50 0 EHAAMO Cc1ccc(N2C(=O)C[C@@H]([N@@H+](Cc3ccccc3)C3CC3)C2=O)c(C)c1 ZINC000012950229 564079835 /nfs/dbraw/zinc/07/98/35/564079835.db2.gz GRNLAGLCAFSXRJ-HXUWFJFHSA-N 1 1 348.446 3.600 50 0 EHAAMO CCc1nnc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)o1 ZINC000075105971 564080087 /nfs/dbraw/zinc/08/00/87/564080087.db2.gz MNOXVIOIBBGCPO-KGLIPLIRSA-N 1 1 335.473 3.562 50 0 EHAAMO CCc1nnc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)o1 ZINC000075105971 564080088 /nfs/dbraw/zinc/08/00/88/564080088.db2.gz MNOXVIOIBBGCPO-KGLIPLIRSA-N 1 1 335.473 3.562 50 0 EHAAMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000013013450 564086821 /nfs/dbraw/zinc/08/68/21/564086821.db2.gz DRCFHFGLTGCULF-UHFFFAOYSA-N 1 1 330.403 3.685 50 0 EHAAMO CC(C)n1cc([C@@H](C)[NH2+][C@H](CO)c2ccc(Cl)c(F)c2)cn1 ZINC000092768835 564089096 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c1ccc(CCC[N@H+]2CCC[C@H](NCc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598403 1018190298 /nfs/dbraw/zinc/19/02/98/1018190298.db2.gz FXTJIOPCKONRLO-IBGZPJMESA-N 1 1 348.494 3.750 50 0 EHAAMO c1ccc(CCCN2CCC[C@H]([NH2+]Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598403 1018190300 /nfs/dbraw/zinc/19/03/00/1018190300.db2.gz FXTJIOPCKONRLO-IBGZPJMESA-N 1 1 348.494 3.750 50 0 EHAAMO CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)[C@@H]1CCOC(C)(C)C1 ZINC000290003329 1020814330 /nfs/dbraw/zinc/81/43/30/1020814330.db2.gz ZGHCNYJCDOEBNH-QGZVFWFLSA-N 1 1 343.471 3.748 50 0 EHAAMO c1oc(-c2ccccc2)nc1C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000023429119 1035348854 /nfs/dbraw/zinc/34/88/54/1035348854.db2.gz MZQGWONLLWXFNX-UHFFFAOYSA-N 1 1 349.438 3.648 50 0 EHAAMO CC(C)[N@H+]1CCCC[C@@H]1CCn1cnc2cc(Cl)ccc2c1=O ZINC000032581806 1036054298 /nfs/dbraw/zinc/05/42/98/1036054298.db2.gz SRCXPZMRUNGDDC-OAHLLOKOSA-N 1 1 333.863 3.703 50 0 EHAAMO Cc1noc(C)c1Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000350479223 1036600489 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GLOLYKXCKSLFSW-UHFFFAOYSA-N 1 1 338.455 3.661 50 0 EHAAMO Cc1noc2ncc(CNCc3ccccc3C[N@H+](C)C(C)C)cc12 ZINC000585136441 563971890 /nfs/dbraw/zinc/97/18/90/563971890.db2.gz GLOLYKXCKSLFSW-UHFFFAOYSA-N 1 1 338.455 3.661 50 0 EHAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147405 563972696 /nfs/dbraw/zinc/97/26/96/563972696.db2.gz ZRSUIMKFHNWNNI-CYBMUJFWSA-N 1 1 341.352 3.958 50 0 EHAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000060722311 563973841 /nfs/dbraw/zinc/97/38/41/563973841.db2.gz HWKYAZIXSGNSND-SFTDATJTSA-N 1 1 334.463 3.639 50 0 EHAAMO COCCn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000091620830 563975614 /nfs/dbraw/zinc/97/56/14/563975614.db2.gz RCHRVJQRBDPCAV-ZDUSSCGKSA-N 1 1 339.892 3.624 50 0 EHAAMO c1coc(C[NH+]2CCC(c3nc(-c4ccc5[nH]cnc5c4)no3)CC2)c1 ZINC000096152251 563979675 /nfs/dbraw/zinc/97/96/75/563979675.db2.gz CMNQYLDNAADYFW-UHFFFAOYSA-N 1 1 349.394 3.586 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000247933299 563994800 /nfs/dbraw/zinc/99/48/00/563994800.db2.gz CYYPRBGKNDTCBJ-QGPMSJSTSA-N 1 1 341.455 3.704 50 0 EHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000247982350 563994972 /nfs/dbraw/zinc/99/49/72/563994972.db2.gz HKMPGEWKGJRCRY-KGLIPLIRSA-N 1 1 332.473 3.690 50 0 EHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000247982350 563994973 /nfs/dbraw/zinc/99/49/73/563994973.db2.gz HKMPGEWKGJRCRY-KGLIPLIRSA-N 1 1 332.473 3.690 50 0 EHAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155172975 563995527 /nfs/dbraw/zinc/99/55/27/563995527.db2.gz CLNYOVWFOQANHQ-LJQANCHMSA-N 1 1 334.423 3.817 50 0 EHAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3ccc4occc4c3)cc2)CC1 ZINC000426535768 563996278 /nfs/dbraw/zinc/99/62/78/563996278.db2.gz YOGZTPAMAJXXJX-UHFFFAOYSA-N 1 1 334.419 3.878 50 0 EHAAMO COc1ccccc1NC(=O)O[C@@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000000485792 564016988 /nfs/dbraw/zinc/01/69/88/564016988.db2.gz DPIBURXPGDTABM-QGZVFWFLSA-N 1 1 337.379 3.562 50 0 biogenic EHAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1 ZINC000000523725 564021190 /nfs/dbraw/zinc/02/11/90/564021190.db2.gz ICQCNVGYKMAZNH-HNNXBMFYSA-N 1 1 329.400 3.744 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048249214 564030232 /nfs/dbraw/zinc/03/02/32/564030232.db2.gz QZEZETOBLXKGHE-SMDDNHRTSA-N 1 1 335.860 3.961 50 0 EHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048249214 564030233 /nfs/dbraw/zinc/03/02/33/564030233.db2.gz QZEZETOBLXKGHE-SMDDNHRTSA-N 1 1 335.860 3.961 50 0 EHAAMO O=c1oc2ccccc2n1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000008232554 564034892 /nfs/dbraw/zinc/03/48/92/564034892.db2.gz BORCTCDSYGSWIY-UHFFFAOYSA-N 1 1 349.390 3.573 50 0 EHAAMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000081647703 564035981 /nfs/dbraw/zinc/03/59/81/564035981.db2.gz QEKIIIXUSZKACX-GOSISDBHSA-N 1 1 345.393 3.713 50 0 EHAAMO CCc1cccc(C)c1NC(=O)CC[N@H+](C)Cc1csc(C)n1 ZINC000244853053 564052311 /nfs/dbraw/zinc/05/23/11/564052311.db2.gz VEJIPDYCFMKRHP-UHFFFAOYSA-N 1 1 331.485 3.783 50 0 EHAAMO CCc1cccc(C)c1NC(=O)CC[N@@H+](C)Cc1csc(C)n1 ZINC000244853053 564052312 /nfs/dbraw/zinc/05/23/12/564052312.db2.gz VEJIPDYCFMKRHP-UHFFFAOYSA-N 1 1 331.485 3.783 50 0 EHAAMO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCCCC1 ZINC000012552787 564059217 /nfs/dbraw/zinc/05/92/17/564059217.db2.gz LEBFILXXDJYNSN-UHFFFAOYSA-N 1 1 326.387 3.739 50 0 EHAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](C1CCCC1)C2 ZINC000012702106 564063474 /nfs/dbraw/zinc/06/34/74/564063474.db2.gz UCTOADRYIAOYMV-HXUWFJFHSA-N 1 1 348.437 3.722 50 0 EHAAMO C[N@H+]1CCC[C@H](NC(=O)c2ccccc2SCc2ccsc2)C1 ZINC000083877844 564064147 /nfs/dbraw/zinc/06/41/47/564064147.db2.gz CHLHVOLLEVJOIO-HNNXBMFYSA-N 1 1 346.521 3.864 50 0 EHAAMO Cc1ncc(-c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000084290540 564067745 /nfs/dbraw/zinc/06/77/45/564067745.db2.gz FYTWTJIIAPCXJS-LJQANCHMSA-N 1 1 335.407 3.891 50 0 EHAAMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)CC[C@@H]2CCC[C@H](C)C2)c1 ZINC000089103618 564079868 /nfs/dbraw/zinc/07/98/68/564079868.db2.gz INSWXKITTAQLFV-RDJZCZTQSA-N 1 1 345.487 3.732 50 0 EHAAMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc([S@@](C)=O)cc1 ZINC000090572632 564084807 /nfs/dbraw/zinc/08/48/07/564084807.db2.gz FHKJNQCFOAODAB-PSLXWICFSA-N 1 1 331.485 3.586 50 0 EHAAMO Cc1c(Cl)c(CN2CCC[N@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000247814538 564089245 /nfs/dbraw/zinc/08/92/45/564089245.db2.gz BXLWPJROONDENE-HNNXBMFYSA-N 1 1 329.875 3.867 50 0 EHAAMO CC(C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448143 564091395 /nfs/dbraw/zinc/09/13/95/564091395.db2.gz WZSNJEKDBUKGJR-UHFFFAOYSA-N 1 1 342.405 3.784 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000006548881 564091872 /nfs/dbraw/zinc/09/18/72/564091872.db2.gz GNJNXEGRCOFDPK-ZDUSSCGKSA-N 1 1 334.366 3.747 50 0 EHAAMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000006548881 564091873 /nfs/dbraw/zinc/09/18/73/564091873.db2.gz GNJNXEGRCOFDPK-ZDUSSCGKSA-N 1 1 334.366 3.747 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000065491345 564106397 /nfs/dbraw/zinc/10/63/97/564106397.db2.gz FXNWKMRLAFWOPA-UHFFFAOYSA-N 1 1 337.448 3.971 50 0 EHAAMO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)cc1 ZINC000007444251 564108585 /nfs/dbraw/zinc/10/85/85/564108585.db2.gz QVSVZDPZQWUWFZ-UHFFFAOYSA-N 1 1 346.862 3.722 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)cc1 ZINC000007444251 564108586 /nfs/dbraw/zinc/10/85/86/564108586.db2.gz QVSVZDPZQWUWFZ-UHFFFAOYSA-N 1 1 346.862 3.722 50 0 EHAAMO CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000089761722 564113574 /nfs/dbraw/zinc/11/35/74/564113574.db2.gz UUPXEOVNNDDDEM-GOSISDBHSA-N 1 1 332.463 3.627 50 0 EHAAMO CCOc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000089960849 564115912 /nfs/dbraw/zinc/11/59/12/564115912.db2.gz AOGDUTAUPLGFRS-ZDUSSCGKSA-N 1 1 339.867 3.544 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cncc(F)c1)O[C@@H](C)C2 ZINC000089991045 564116087 /nfs/dbraw/zinc/11/60/87/564116087.db2.gz JZVITUMPFUWKJU-STQMWFEESA-N 1 1 330.403 3.794 50 0 EHAAMO CCCOc1ccc(OCCOCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000002823746 564117030 /nfs/dbraw/zinc/11/70/30/564117030.db2.gz HPPAFXHZWSOYJV-HDICACEKSA-N 1 1 335.488 3.849 50 0 EHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000007779036 564123089 /nfs/dbraw/zinc/12/30/89/564123089.db2.gz ZSLNEXDRAMILGY-MRXNPFEDSA-N 1 1 332.831 3.890 50 0 EHAAMO CCCC[N@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000002273335 564125604 /nfs/dbraw/zinc/12/56/04/564125604.db2.gz ZHBVPXBHHSJIMN-IRLDBZIGSA-N 1 1 337.463 3.879 50 0 EHAAMO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370598 564130344 /nfs/dbraw/zinc/13/03/44/564130344.db2.gz SYUCJALZQFKSLM-VVHHDAOASA-N 1 1 339.483 3.853 50 0 EHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc2c(ccn2C)c1 ZINC000253406419 564130663 /nfs/dbraw/zinc/13/06/63/564130663.db2.gz IXJQBERGWKZQMS-AZUAARDMSA-N 1 1 339.483 3.515 50 0 biogenic EHAAMO Cc1cncc(CN2CCC[C@@H]([N@@H+](C)Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135591 /nfs/dbraw/zinc/13/55/91/564135591.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 1 1 338.499 3.580 50 0 EHAAMO Cc1cncc(CN(C)[C@@H]2CCC[N@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135592 /nfs/dbraw/zinc/13/55/92/564135592.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 1 1 338.499 3.580 50 0 EHAAMO Cc1sc2ncnc(N[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)c2c1C ZINC000095467622 564141145 /nfs/dbraw/zinc/14/11/45/564141145.db2.gz LKXVICHOVBNYEP-HZPDHXFCSA-N 1 1 338.480 3.818 50 0 EHAAMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)CCC2 ZINC000095968684 564143261 /nfs/dbraw/zinc/14/32/61/564143261.db2.gz OUZJLEARUCHTHY-INIZCTEOSA-N 1 1 338.480 3.864 50 0 EHAAMO COC[C@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)o1 ZINC000095968828 564143287 /nfs/dbraw/zinc/14/32/87/564143287.db2.gz NYHUFFLBSLTLMD-PBHICJAKSA-N 1 1 344.411 3.583 50 0 EHAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2[nH]c1=O ZINC000097201374 564149526 /nfs/dbraw/zinc/14/95/26/564149526.db2.gz ZTTIFGPYMDCRPA-ZDUSSCGKSA-N 1 1 333.391 3.862 50 0 EHAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2[nH]c1=O ZINC000097201374 564149527 /nfs/dbraw/zinc/14/95/27/564149527.db2.gz ZTTIFGPYMDCRPA-ZDUSSCGKSA-N 1 1 333.391 3.862 50 0 EHAAMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057432087 564154288 /nfs/dbraw/zinc/15/42/88/564154288.db2.gz SRCBQPGZXAXEHF-SJLPKXTDSA-N 1 1 326.465 3.905 50 0 EHAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000031090821 564158788 /nfs/dbraw/zinc/15/87/88/564158788.db2.gz UVEAQUMQFDJRPB-UHFFFAOYSA-N 1 1 333.432 3.627 50 0 EHAAMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3ccc(C(C)(C)C)cc3)nc12 ZINC000008128602 564162948 /nfs/dbraw/zinc/16/29/48/564162948.db2.gz FXPWVWBHRSXWNY-UHFFFAOYSA-N 1 1 349.478 3.932 50 0 EHAAMO CCC(CC)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008202337 564163558 /nfs/dbraw/zinc/16/35/58/564163558.db2.gz GTJHVXDKJVOFFJ-UHFFFAOYSA-N 1 1 345.512 3.781 50 0 EHAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000069511175 564169971 /nfs/dbraw/zinc/16/99/71/564169971.db2.gz SJNLBWQTPLTYRI-RWMBFGLXSA-N 1 1 331.445 3.603 50 0 EHAAMO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000069664714 564171347 /nfs/dbraw/zinc/17/13/47/564171347.db2.gz SMEPPOHEPKYDOQ-UONOGXRCSA-N 1 1 331.485 3.592 50 0 EHAAMO CCS[C@@H]1CCCC[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000069664714 564171348 /nfs/dbraw/zinc/17/13/48/564171348.db2.gz SMEPPOHEPKYDOQ-UONOGXRCSA-N 1 1 331.485 3.592 50 0 EHAAMO C[N@H+]1CC[C@@H](CNC(=O)C2=CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245658574 564172244 /nfs/dbraw/zinc/17/22/44/564172244.db2.gz FEUXQEVDVYPQJI-WMLDXEAASA-N 1 1 336.838 3.698 50 0 EHAAMO CCOc1ccc(Cl)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069978400 564173050 /nfs/dbraw/zinc/17/30/50/564173050.db2.gz PHBQAZKRVZNRBX-CYBMUJFWSA-N 1 1 339.867 3.544 50 0 EHAAMO CC(C)n1nccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000070945293 564174564 /nfs/dbraw/zinc/17/45/64/564174564.db2.gz OOEFODCZLISRLH-UHFFFAOYSA-N 1 1 348.450 3.782 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000071870665 564176178 /nfs/dbraw/zinc/17/61/78/564176178.db2.gz AQGJSNOFJQRHOV-OAHLLOKOSA-N 1 1 331.485 3.693 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000071875897 564176229 /nfs/dbraw/zinc/17/62/29/564176229.db2.gz BKFRKRPGJXCBNZ-SFHVURJKSA-N 1 1 340.402 3.650 50 0 EHAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000071875897 564176230 /nfs/dbraw/zinc/17/62/30/564176230.db2.gz BKFRKRPGJXCBNZ-SFHVURJKSA-N 1 1 340.402 3.650 50 0 EHAAMO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000342807847 1032359011 /nfs/dbraw/zinc/35/90/11/1032359011.db2.gz HTPUNFVPYLRCHH-QGZVFWFLSA-N 1 1 325.387 3.748 50 0 EHAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000169781497 1032647291 /nfs/dbraw/zinc/64/72/91/1032647291.db2.gz SCHRVDPDUUGFJM-OAHLLOKOSA-N 1 1 338.854 3.560 50 0 EHAAMO c1ccc(CCC[N@H+]2CCC[C@@H](NCc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598402 1018187042 /nfs/dbraw/zinc/18/70/42/1018187042.db2.gz FXTJIOPCKONRLO-LJQANCHMSA-N 1 1 348.494 3.750 50 0 EHAAMO c1ccc(CCCN2CCC[C@@H]([NH2+]Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598402 1018187045 /nfs/dbraw/zinc/18/70/45/1018187045.db2.gz FXTJIOPCKONRLO-LJQANCHMSA-N 1 1 348.494 3.750 50 0 EHAAMO O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176053721 1022533951 /nfs/dbraw/zinc/53/39/51/1022533951.db2.gz ICYHUAMNBTUXFL-INIZCTEOSA-N 1 1 339.439 3.935 50 0 EHAAMO CCC[C@]1(CO)CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000344266965 1030967908 /nfs/dbraw/zinc/96/79/08/1030967908.db2.gz LWNKMRVITKZRBE-FQEVSTJZSA-N 1 1 326.440 3.858 50 0 EHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)c3cccc(C)c3)C2)n1C(C)C ZINC000257182434 1034856247 /nfs/dbraw/zinc/85/62/47/1034856247.db2.gz GNHRYUPKHZSCDU-QGZVFWFLSA-N 1 1 325.456 3.786 50 0 EHAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000581815390 1035618307 /nfs/dbraw/zinc/61/83/07/1035618307.db2.gz AYVDCDOWAXQZIV-SFHVURJKSA-N 1 1 340.471 3.609 50 0 EHAAMO Fc1cccc(C[N@H+]2CC[C@H](Cc3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000257195116 1038549896 /nfs/dbraw/zinc/54/98/96/1038549896.db2.gz VKMXPBWBXLJXAQ-MRXNPFEDSA-N 1 1 336.414 3.675 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H](C)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000826608036 1131328918 /nfs/dbraw/zinc/32/89/18/1131328918.db2.gz ICYZAYBKZCCAOJ-ZDUSSCGKSA-N 1 1 326.419 3.649 50 0 EHAAMO CCc1[nH]c(CN2CCO[C@@H](CCCc3ccccc3)C2)c(C)[nH+]1 ZINC000012301165 1129501283 /nfs/dbraw/zinc/50/12/83/1129501283.db2.gz HXXKEBJNDPARJX-SFHVURJKSA-N 1 1 327.472 3.504 50 0 EHAAMO CCCC[C@H](NC(=O)C[N@H+](C)Cc1ccc(F)cc1)c1cccnc1 ZINC000822830906 1131020058 /nfs/dbraw/zinc/02/00/58/1131020058.db2.gz JZVFFWCRRJBNHL-IBGZPJMESA-N 1 1 343.446 3.700 50 0 EHAAMO CCCC[C@H](NC(=O)C[N@@H+](C)Cc1ccc(F)cc1)c1cccnc1 ZINC000822830906 1131020062 /nfs/dbraw/zinc/02/00/62/1131020062.db2.gz JZVFFWCRRJBNHL-IBGZPJMESA-N 1 1 343.446 3.700 50 0 EHAAMO CCSc1ccccc1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000952991511 1137485072 /nfs/dbraw/zinc/48/50/72/1137485072.db2.gz TWMOFRSPKHCVSI-KRWDZBQOSA-N 1 1 328.481 3.910 50 0 EHAAMO O=C([C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 ZINC000004745255 210266996 /nfs/dbraw/zinc/26/69/96/210266996.db2.gz JGFSFURNCWMKBO-QGZVFWFLSA-N 1 1 339.483 3.783 50 0 EHAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)NC2CCCCC2)cc1 ZINC000054426292 214237926 /nfs/dbraw/zinc/23/79/26/214237926.db2.gz CRBRIOLIVZFMGU-IBGZPJMESA-N 1 1 330.472 3.671 50 0 EHAAMO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc2c1OCO2 ZINC000055153154 214280872 /nfs/dbraw/zinc/28/08/72/214280872.db2.gz MOONOOSVPAZLQQ-UHFFFAOYSA-N 1 1 339.370 3.577 50 0 EHAAMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc2c1OCO2 ZINC000055153154 214280874 /nfs/dbraw/zinc/28/08/74/214280874.db2.gz MOONOOSVPAZLQQ-UHFFFAOYSA-N 1 1 339.370 3.577 50 0 EHAAMO CCCCC(=O)Nc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000055166242 214281695 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CCN(CC)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C)cc1 ZINC000003444886 210041332 /nfs/dbraw/zinc/04/13/32/210041332.db2.gz UALXKDYGRPDVET-UHFFFAOYSA-N 1 1 339.483 3.912 50 0 EHAAMO CCN(CC)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000003444886 210041336 /nfs/dbraw/zinc/04/13/36/210041336.db2.gz UALXKDYGRPDVET-UHFFFAOYSA-N 1 1 339.483 3.912 50 0 EHAAMO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000003413067 210031537 /nfs/dbraw/zinc/03/15/37/210031537.db2.gz DPOARQRNHJTCHV-HNNXBMFYSA-N 1 1 348.830 3.509 50 0 EHAAMO CSc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003340411 210011689 /nfs/dbraw/zinc/01/16/89/210011689.db2.gz HHEOKHQGQBIYIA-MRXNPFEDSA-N 1 1 344.480 3.959 50 0 EHAAMO OCCC[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067541395 215159553 /nfs/dbraw/zinc/15/95/53/215159553.db2.gz WHWBAVLAYZBWOE-UHFFFAOYSA-N 1 1 348.446 3.595 50 0 EHAAMO OCCC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067541395 215159555 /nfs/dbraw/zinc/15/95/55/215159555.db2.gz 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ZINC000040039213 213254609 /nfs/dbraw/zinc/25/46/09/213254609.db2.gz IWIHGFYYBZVDBR-FQEVSTJZSA-N 1 1 328.431 3.715 50 0 EHAAMO CCN(CC)C(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000040039213 213254611 /nfs/dbraw/zinc/25/46/11/213254611.db2.gz IWIHGFYYBZVDBR-FQEVSTJZSA-N 1 1 328.431 3.715 50 0 EHAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408727 213236560 /nfs/dbraw/zinc/23/65/60/213236560.db2.gz BWSBEPRSVTVIBO-RTWAWAEBSA-N 1 1 328.500 3.924 50 0 EHAAMO Cc1ccc(C)c(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1 ZINC000036103845 213068572 /nfs/dbraw/zinc/06/85/72/213068572.db2.gz PUVHWGNDLGWBPR-HXUWFJFHSA-N 1 1 327.468 3.954 50 0 EHAAMO CC(C)c1ccc(OCCOC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000035590828 213039802 /nfs/dbraw/zinc/03/98/02/213039802.db2.gz FFWOYTOSUZFZMF-NSHGMRRFSA-N 1 1 349.515 3.544 50 0 EHAAMO Cc1c[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3F)C2)c(C)c1=O ZINC000072126648 216018450 /nfs/dbraw/zinc/01/84/50/216018450.db2.gz AXYMHPKYMDALCT-QGZVFWFLSA-N 1 1 342.458 3.976 50 0 EHAAMO COc1cc2c(cc1C[N@H+](C)Cc1cc(-c3ccncc3)no1)CCC2 ZINC000072150441 216038187 /nfs/dbraw/zinc/03/81/87/216038187.db2.gz KVRRBAKCNGZLHB-UHFFFAOYSA-N 1 1 349.434 3.866 50 0 EHAAMO COc1cc2c(cc1C[N@@H+](C)Cc1cc(-c3ccncc3)no1)CCC2 ZINC000072150441 216038189 /nfs/dbraw/zinc/03/81/89/216038189.db2.gz KVRRBAKCNGZLHB-UHFFFAOYSA-N 1 1 349.434 3.866 50 0 EHAAMO Cn1ncc(C[N@H+]2CCC[C@@H](COc3ccccc3F)C2)c1C1CC1 ZINC000072150018 216038675 /nfs/dbraw/zinc/03/86/75/216038675.db2.gz KOAGHIMUMBPDMO-OAHLLOKOSA-N 1 1 343.446 3.728 50 0 EHAAMO CCn1cc(C[N@H+]2CCC[C@@H](COc3cccc(OC)c3)C2)c(C)n1 ZINC000072150941 216039803 /nfs/dbraw/zinc/03/98/03/216039803.db2.gz XGNWUIFTZLANPH-QGZVFWFLSA-N 1 1 343.471 3.511 50 0 EHAAMO CC(C)n1cncc1C[N@H+](CCc1ccccc1)C1CCN(C)CC1 ZINC000072171385 216062210 /nfs/dbraw/zinc/06/22/10/216062210.db2.gz AYYVWFMGJVIWDD-UHFFFAOYSA-N 1 1 340.515 3.603 50 0 EHAAMO CC(C)n1cncc1C[N@@H+](CCc1ccccc1)C1CCN(C)CC1 ZINC000072171385 216062214 /nfs/dbraw/zinc/06/22/14/216062214.db2.gz AYYVWFMGJVIWDD-UHFFFAOYSA-N 1 1 340.515 3.603 50 0 EHAAMO CNc1nc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cs1 ZINC000072411657 216204416 /nfs/dbraw/zinc/20/44/16/216204416.db2.gz VGXCAIXGMAUZNF-INIZCTEOSA-N 1 1 331.485 3.878 50 0 EHAAMO CN1CCC[C@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220873 /nfs/dbraw/zinc/22/08/73/216220873.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 1 1 344.543 3.698 50 0 EHAAMO CN1CCC[C@]2(CCC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220875 /nfs/dbraw/zinc/22/08/75/216220875.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 1 1 344.543 3.698 50 0 EHAAMO C[N@@H+]1CCC[C@]2(CCCN(Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220878 /nfs/dbraw/zinc/22/08/78/216220878.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 1 1 344.543 3.698 50 0 EHAAMO C[N@H+]1CCC[C@]2(CCCN(Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220881 /nfs/dbraw/zinc/22/08/81/216220881.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 1 1 344.543 3.698 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 ZINC000072437290 216232659 /nfs/dbraw/zinc/23/26/59/216232659.db2.gz POFLLDVCQDUGHC-UHFFFAOYSA-N 1 1 337.398 3.569 50 0 EHAAMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3C)CC2)cs1 ZINC000073392066 216382397 /nfs/dbraw/zinc/38/23/97/216382397.db2.gz ZZSMSYUOGGOSJQ-UHFFFAOYSA-N 1 1 347.459 3.750 50 0 EHAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000022197452 212281530 /nfs/dbraw/zinc/28/15/30/212281530.db2.gz CKEUQHJLSLTTNK-UHFFFAOYSA-N 1 1 326.465 3.795 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000215019833 241103173 /nfs/dbraw/zinc/10/31/73/241103173.db2.gz ZGGVCUVGVIDVKO-LBPRGKRZSA-N 1 1 331.847 3.520 50 0 EHAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)no1 ZINC000215152149 241107574 /nfs/dbraw/zinc/10/75/74/241107574.db2.gz RNIHQYALMDMFNM-ZDUSSCGKSA-N 1 1 328.391 3.686 50 0 EHAAMO Cc1nccn1CC[N@H+](C)Cc1cnn(-c2ccc(C(C)C)cc2)c1 ZINC000216085597 241163888 /nfs/dbraw/zinc/16/38/88/241163888.db2.gz OUXRXPDTVCQUOT-UHFFFAOYSA-N 1 1 337.471 3.633 50 0 EHAAMO CC(C)Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)s1 ZINC000216274691 241181427 /nfs/dbraw/zinc/18/14/27/241181427.db2.gz NMLSZWXWULUGSL-UHFFFAOYSA-N 1 1 329.513 3.659 50 0 EHAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1OC ZINC000022022981 212270828 /nfs/dbraw/zinc/27/08/28/212270828.db2.gz ZQUZIELFFRIYRS-QGZVFWFLSA-N 1 1 342.439 3.835 50 0 EHAAMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1OC ZINC000022022981 212270825 /nfs/dbraw/zinc/27/08/25/212270825.db2.gz ZQUZIELFFRIYRS-QGZVFWFLSA-N 1 1 342.439 3.835 50 0 EHAAMO C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000021986508 212267617 /nfs/dbraw/zinc/26/76/17/212267617.db2.gz MOJZPKOBKCXNKG-QAPCUYQASA-N 1 1 343.398 3.669 50 0 in-vitro EHAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)C(C)C)cc2)[nH+]1 ZINC000021794129 212250843 /nfs/dbraw/zinc/25/08/43/212250843.db2.gz FSQUSEFKVICJCS-UHFFFAOYSA-N 1 1 339.443 3.723 50 0 EHAAMO Cc1nc(Nc2ccc(NC(=O)C(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794129 212250846 /nfs/dbraw/zinc/25/08/46/212250846.db2.gz FSQUSEFKVICJCS-UHFFFAOYSA-N 1 1 339.443 3.723 50 0 EHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000230209765 242249137 /nfs/dbraw/zinc/24/91/37/242249137.db2.gz ZIAOWARRTKNEFG-UGSOOPFHSA-N 1 1 345.874 3.816 50 0 biogenic EHAAMO O=C(c1ccc(C[N@H+]2CCc3sccc3C2)cc1)N1CCCC1 ZINC000021420088 212224459 /nfs/dbraw/zinc/22/44/59/212224459.db2.gz DNJWZQGHVRTETF-UHFFFAOYSA-N 1 1 326.465 3.542 50 0 EHAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000244716060 243065575 /nfs/dbraw/zinc/06/55/75/243065575.db2.gz LHQFJZWKXQRGDC-SFHVURJKSA-N 1 1 339.483 3.898 50 0 EHAAMO CCN(C(=O)CC[N@H+]1CCC[C@H]1c1ccccn1)c1ccccc1C ZINC000244659419 243050122 /nfs/dbraw/zinc/05/01/22/243050122.db2.gz HCGMGLDJQAWGTM-FQEVSTJZSA-N 1 1 337.467 3.970 50 0 EHAAMO CCC[N@H+]1CCC[C@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 ZINC000020326501 212119896 /nfs/dbraw/zinc/11/98/96/212119896.db2.gz VDADZDMMNJJJGL-NSHDSACASA-N 1 1 336.486 3.707 50 0 EHAAMO CCCCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c[nH]1 ZINC000019811615 212071045 /nfs/dbraw/zinc/07/10/45/212071045.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 1 1 340.515 3.849 50 0 EHAAMO CCCCc1ncc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000019811615 212071047 /nfs/dbraw/zinc/07/10/47/212071047.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 1 1 340.515 3.849 50 0 EHAAMO CCCCc1ncc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000019811615 212071049 /nfs/dbraw/zinc/07/10/49/212071049.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 1 1 340.515 3.849 50 0 EHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012306449 211340991 /nfs/dbraw/zinc/34/09/91/211340991.db2.gz FJSYZJOSMYJKIO-HXUWFJFHSA-N 1 1 338.451 3.974 50 0 EHAAMO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)Cc2ccccc2O1 ZINC000012246557 211329432 /nfs/dbraw/zinc/32/94/32/211329432.db2.gz PLFGPHOUOQCFKJ-AWEZNQCLSA-N 1 1 337.398 3.999 50 0 EHAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc2[nH]ccc2c1 ZINC000012072606 211286765 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CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(F)c1)c1cccs1 ZINC000011202807 211206625 /nfs/dbraw/zinc/20/66/25/211206625.db2.gz JIARSNXAYLOEBP-GOSISDBHSA-N 1 1 334.460 3.833 50 0 EHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000010090897 211147366 /nfs/dbraw/zinc/14/73/66/211147366.db2.gz FLKPVHFFURJGBF-OAQYLSRUSA-N 1 1 347.462 3.664 50 0 EHAAMO O=C1[C@H]2CC[C@H](C[N@H+](C/C=C/c3ccc(F)cc3)C2)N1CC1CCC1 ZINC000095367216 218300366 /nfs/dbraw/zinc/30/03/66/218300366.db2.gz BZUSNTFTSUYNLV-BBPDQTHYSA-N 1 1 342.458 3.562 50 0 EHAAMO O=C(NCc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095392352 218323343 /nfs/dbraw/zinc/32/33/43/218323343.db2.gz MDSDRIYQXYQZGW-GFCCVEGCSA-N 1 1 338.860 3.523 50 0 EHAAMO COc1ccc(Oc2ccc(C[NH2+][C@H](C)c3cnccn3)cn2)cc1 ZINC000095420386 218360613 /nfs/dbraw/zinc/36/06/13/218360613.db2.gz VAKHKCNVWPNVIK-CQSZACIVSA-N 1 1 336.395 3.523 50 0 EHAAMO CCc1ccc([C@@H](C)NC2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000095421529 218362634 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50 0 EHAAMO C[C@@H](NC(=S)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044057879 563981209 /nfs/dbraw/zinc/98/12/09/563981209.db2.gz DLDFMJYRYMZPIK-VQIMIIECSA-N 1 1 339.508 3.611 50 0 EHAAMO C[C@@H](NC(=S)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044057879 563981210 /nfs/dbraw/zinc/98/12/10/563981210.db2.gz DLDFMJYRYMZPIK-VQIMIIECSA-N 1 1 339.508 3.611 50 0 EHAAMO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1C ZINC000179052672 563996518 /nfs/dbraw/zinc/99/65/18/563996518.db2.gz KRBSSHKQCGOHBV-UHFFFAOYSA-N 1 1 343.471 3.680 50 0 EHAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)C[C@H]1CCCCO1 ZINC000329849013 563999698 /nfs/dbraw/zinc/99/96/98/563999698.db2.gz RSYJVTDCOWJJSZ-SWLSCSKDSA-N 1 1 335.835 3.952 50 0 EHAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329849013 563999699 /nfs/dbraw/zinc/99/96/99/563999699.db2.gz RSYJVTDCOWJJSZ-SWLSCSKDSA-N 1 1 335.835 3.952 50 0 EHAAMO CN(C)CCC[NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005350079 564003030 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CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048273368 564030389 /nfs/dbraw/zinc/03/03/89/564030389.db2.gz QFYJXEAVNQUNHK-FUHIMQAGSA-N 1 1 344.499 3.727 50 0 EHAAMO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1cnn(C)c1 ZINC000095968463 564034130 /nfs/dbraw/zinc/03/41/30/564034130.db2.gz XLFNXNYWHDAMBU-UWVGGRQHSA-N 1 1 326.213 3.734 50 0 EHAAMO FC(F)Cn1ncnc1C[N@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000225614354 564048433 /nfs/dbraw/zinc/04/84/33/564048433.db2.gz QOZAXFBWUFVYOX-HNNXBMFYSA-N 1 1 326.435 3.868 50 0 EHAAMO CSc1ncc(C[N@H+]2CCC[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000230501260 564051100 /nfs/dbraw/zinc/05/11/00/564051100.db2.gz ZOESAXVWTIPQAC-OAHLLOKOSA-N 1 1 331.460 3.792 50 0 EHAAMO Cc1nc([C@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(C)c(C)cc2Cl)n[nH]1 ZINC000685940065 564051374 /nfs/dbraw/zinc/05/13/74/564051374.db2.gz HPFXLXOOZRNTEO-IFIJOSMWSA-N 1 1 348.878 3.812 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000012747850 564065956 /nfs/dbraw/zinc/06/59/56/564065956.db2.gz 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EHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCn1cccc1 ZINC000409413397 257871226 /nfs/dbraw/zinc/87/12/26/257871226.db2.gz ALPMMOISFXQKNV-VQTJNVASSA-N 1 1 345.531 3.771 50 0 biogenic EHAAMO CC(C)c1nc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000328596514 258042437 /nfs/dbraw/zinc/04/24/37/258042437.db2.gz YKJLJHSBBNNWJA-ZDUSSCGKSA-N 1 1 338.377 3.936 50 0 EHAAMO CC(C)c1nnc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000328596514 258042438 /nfs/dbraw/zinc/04/24/38/258042438.db2.gz YKJLJHSBBNNWJA-ZDUSSCGKSA-N 1 1 338.377 3.936 50 0 EHAAMO CC(C)c1nnc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000328596514 258042439 /nfs/dbraw/zinc/04/24/39/258042439.db2.gz YKJLJHSBBNNWJA-ZDUSSCGKSA-N 1 1 338.377 3.936 50 0 EHAAMO CC(C)Cn1cc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cn1 ZINC000328593390 258043544 /nfs/dbraw/zinc/04/35/44/258043544.db2.gz OOGHYNMDFYQIHA-HLIPFELVSA-N 1 1 327.472 3.890 50 0 EHAAMO CC(C)Cn1cc(C[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cn1 ZINC000328593390 258043545 /nfs/dbraw/zinc/04/35/45/258043545.db2.gz OOGHYNMDFYQIHA-HLIPFELVSA-N 1 1 327.472 3.890 50 0 EHAAMO CO[C@]12CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)[C@H]1C[C@H](O)CC2 ZINC000299758139 258075838 /nfs/dbraw/zinc/07/58/38/258075838.db2.gz DFTFYOZVWXFPNE-JRGCBEDISA-N 1 1 345.483 3.512 50 0 EHAAMO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3Cl)CC2)c1 ZINC000036396717 132391823 /nfs/dbraw/zinc/39/18/23/132391823.db2.gz YNBALKJALFSKIU-LJQANCHMSA-N 1 1 330.859 3.504 50 0 EHAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cs1 ZINC000179431336 533917132 /nfs/dbraw/zinc/91/71/32/533917132.db2.gz LPLYWGDPQYPAAI-MRXNPFEDSA-N 1 1 332.469 3.554 50 0 EHAAMO CC(C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000000261014 563989894 /nfs/dbraw/zinc/98/98/94/563989894.db2.gz HUKBNIIBZMRGFT-UHFFFAOYSA-N 1 1 325.909 3.841 50 0 EHAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000001057036 563371566 /nfs/dbraw/zinc/37/15/66/563371566.db2.gz WYPGWADLJAEDEV-UHFFFAOYSA-N 1 1 348.450 3.812 50 0 EHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3F)c2)C1 ZINC000034675584 563445194 /nfs/dbraw/zinc/44/51/94/563445194.db2.gz UGFBUAILKYPALL-INIZCTEOSA-N 1 1 342.414 3.663 50 0 EHAAMO Cc1cccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002786419 563450940 /nfs/dbraw/zinc/45/09/40/563450940.db2.gz FTORYUFGGQKUMK-UHFFFAOYSA-N 1 1 349.522 3.782 50 0 EHAAMO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC000071904297 563558665 /nfs/dbraw/zinc/55/86/65/563558665.db2.gz BUJZRFDWIUOXMZ-HNNXBMFYSA-N 1 1 349.438 3.769 50 0 EHAAMO CCS[C@@H]1CCCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000071904333 563559646 /nfs/dbraw/zinc/55/96/46/563559646.db2.gz CFBXXFHLHSCIDB-DZGCQCFKSA-N 1 1 332.473 3.800 50 0 EHAAMO O=C(NCc1ccccc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012572117 563663349 /nfs/dbraw/zinc/66/33/49/563663349.db2.gz QFHSPQXMPLNJJX-GOSISDBHSA-N 1 1 329.488 3.673 50 0 EHAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)[NH+](C)C)o1 ZINC000015860356 563796971 /nfs/dbraw/zinc/79/69/71/563796971.db2.gz MKSHKOCPAHNQQT-MRXNPFEDSA-N 1 1 340.423 3.984 50 0 EHAAMO CCc1ccccc1NC(=O)CC[N@@H+](C)CCCOc1ccccc1 ZINC000072272269 563901411 /nfs/dbraw/zinc/90/14/11/563901411.db2.gz FEWLBTMKVYHBOQ-UHFFFAOYSA-N 1 1 340.467 3.979 50 0 EHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029487195 563906779 /nfs/dbraw/zinc/90/67/79/563906779.db2.gz CMNFIWZFMHVNFI-OAQYLSRUSA-N 1 1 349.478 3.845 50 0 EHAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000023281750 563919217 /nfs/dbraw/zinc/91/92/17/563919217.db2.gz IRKAHRYVYRDIKS-SOFGYWHQSA-N 1 1 339.435 3.784 50 0 EHAAMO COc1ccccc1/C=C/C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000023281750 563919218 /nfs/dbraw/zinc/91/92/18/563919218.db2.gz IRKAHRYVYRDIKS-SOFGYWHQSA-N 1 1 339.435 3.784 50 0 EHAAMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000034873371 563919928 /nfs/dbraw/zinc/91/99/28/563919928.db2.gz UCTPXLNORDGYFX-YDHLFZDLSA-N 1 1 328.378 3.527 50 0 EHAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000034873371 563919929 /nfs/dbraw/zinc/91/99/29/563919929.db2.gz UCTPXLNORDGYFX-YDHLFZDLSA-N 1 1 328.378 3.527 50 0 EHAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058081486 563937213 /nfs/dbraw/zinc/93/72/13/563937213.db2.gz HVMIASPINQGXDM-CJNGLKHVSA-N 1 1 339.391 3.888 50 0 EHAAMO CCc1noc([C@H](C)[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000058134669 563937648 /nfs/dbraw/zinc/93/76/48/563937648.db2.gz VAMOXKGLCLLCTE-AWEZNQCLSA-N 1 1 329.444 3.743 50 0 EHAAMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000058210262 563939987 /nfs/dbraw/zinc/93/99/87/563939987.db2.gz CUUMSUGTLJRCLL-GFCCVEGCSA-N 1 1 329.366 3.559 50 0 EHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000058210263 563939997 /nfs/dbraw/zinc/93/99/97/563939997.db2.gz CUUMSUGTLJRCLL-LBPRGKRZSA-N 1 1 329.366 3.559 50 0 EHAAMO COc1c(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c(C)nn1C ZINC000058416402 563945520 /nfs/dbraw/zinc/94/55/20/563945520.db2.gz ASGJHWIDEIXTLH-KRWDZBQOSA-N 1 1 345.443 3.817 50 0 EHAAMO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000096412744 563950836 /nfs/dbraw/zinc/95/08/36/563950836.db2.gz FMFLQGBFOGVAHC-SCLBCKFNSA-N 1 1 349.862 3.518 50 0 EHAAMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000096415133 563951067 /nfs/dbraw/zinc/95/10/67/563951067.db2.gz RCKSLUSOLPXLDN-FUHWJXTLSA-N 1 1 338.455 3.598 50 0 EHAAMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064667056 563957019 /nfs/dbraw/zinc/95/70/19/563957019.db2.gz QJVCPUQYLOKNRR-QGZVFWFLSA-N 1 1 328.412 3.922 50 0 EHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064667056 563957021 /nfs/dbraw/zinc/95/70/21/563957021.db2.gz QJVCPUQYLOKNRR-QGZVFWFLSA-N 1 1 328.412 3.922 50 0 EHAAMO CC[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000071315127 563964119 /nfs/dbraw/zinc/96/41/19/563964119.db2.gz HZYWZDXIDBVOGU-UHFFFAOYSA-N 1 1 326.421 3.883 50 0 EHAAMO CC[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000071315127 563964120 /nfs/dbraw/zinc/96/41/20/563964120.db2.gz HZYWZDXIDBVOGU-UHFFFAOYSA-N 1 1 326.421 3.883 50 0 EHAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccoc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071776365 563965759 /nfs/dbraw/zinc/96/57/59/563965759.db2.gz GGSROWLQPQYBRX-IBGZPJMESA-N 1 1 344.430 3.678 50 0 EHAAMO CC(C)[C@H]1C[N@@H+](Cc2ccoc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071776366 563965781 /nfs/dbraw/zinc/96/57/81/563965781.db2.gz GGSROWLQPQYBRX-LJQANCHMSA-N 1 1 344.430 3.678 50 0 EHAAMO Cc1c2cc(C)ccc2oc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000077377217 563969303 /nfs/dbraw/zinc/96/93/03/563969303.db2.gz NIXRCKBFBOBEAB-AWEZNQCLSA-N 1 1 326.440 3.748 50 0 EHAAMO COCCC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000077420527 563969571 /nfs/dbraw/zinc/96/95/71/563969571.db2.gz MKPNPOWMEMSIAQ-SFHVURJKSA-N 1 1 327.472 3.819 50 0 EHAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525368 563970205 /nfs/dbraw/zinc/97/02/05/563970205.db2.gz BEEVMVBQNLGDQO-GOSISDBHSA-N 1 1 341.455 3.673 50 0 EHAAMO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000077538186 563970297 /nfs/dbraw/zinc/97/02/97/563970297.db2.gz OGULGTCNOMRSIM-OAHLLOKOSA-N 1 1 338.854 3.846 50 0 EHAAMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccn1 ZINC000097032872 563971188 /nfs/dbraw/zinc/97/11/88/563971188.db2.gz JLMQBXFZMUKZKE-WBMJQRKESA-N 1 1 349.356 3.557 50 0 EHAAMO CCSc1cccc(C[NH2+]Cc2cnc(Br)cn2)c1 ZINC000585135973 563971893 /nfs/dbraw/zinc/97/18/93/563971893.db2.gz KXAHDEOPJAEZRZ-UHFFFAOYSA-N 1 1 338.274 3.641 50 0 EHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000082092682 563972080 /nfs/dbraw/zinc/97/20/80/563972080.db2.gz DURQZZCWEDYWBF-SFHVURJKSA-N 1 1 336.439 3.758 50 0 EHAAMO C[S@@](=O)c1ccc(NC2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000097080864 563972561 /nfs/dbraw/zinc/97/25/61/563972561.db2.gz QYIUCJYIVFHRCL-DEOSSOPVSA-N 1 1 346.471 3.640 50 0 EHAAMO CCC[N@H+]1CCc2nc(SCc3cc(C)ccc3C)[nH]c(=O)c2C1 ZINC000033287215 563972972 /nfs/dbraw/zinc/97/29/72/563972972.db2.gz QXNQKQXHEIGJOT-UHFFFAOYSA-N 1 1 343.496 3.859 50 0 EHAAMO CCCc1nc(C)c(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)s1 ZINC000095517128 563977334 /nfs/dbraw/zinc/97/73/34/563977334.db2.gz NEFXFWPESKTNPH-CYBMUJFWSA-N 1 1 334.489 3.601 50 0 EHAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1 ZINC000000260992 563989902 /nfs/dbraw/zinc/98/99/02/563989902.db2.gz PRLQMJJWUYWCRM-UHFFFAOYSA-N 1 1 337.558 3.910 50 0 EHAAMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365679 563993355 /nfs/dbraw/zinc/99/33/55/563993355.db2.gz FYJMLROVGZYTSJ-WBVHZDCISA-N 1 1 337.427 3.549 50 0 EHAAMO CC(C)Oc1cccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000426486555 563995807 /nfs/dbraw/zinc/99/58/07/563995807.db2.gz ZKOXSJNDPSKXMH-OAQYLSRUSA-N 1 1 341.451 3.506 50 0 EHAAMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102950707 564020949 /nfs/dbraw/zinc/02/09/49/564020949.db2.gz JPRYARSHMMNIMS-UHFFFAOYSA-N 1 1 340.467 3.598 50 0 EHAAMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000105778087 564025326 /nfs/dbraw/zinc/02/53/26/564025326.db2.gz UIGAIEDEDLGRPM-VQIMIIECSA-N 1 1 331.481 3.771 50 0 EHAAMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000244734332 564052269 /nfs/dbraw/zinc/05/22/69/564052269.db2.gz NDOIOJCBNNINRA-LJQANCHMSA-N 1 1 339.439 3.637 50 0 EHAAMO C[C@H]1CCCCN1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894029 564052364 /nfs/dbraw/zinc/05/23/64/564052364.db2.gz YYSCVZPXYYWMJP-KRWDZBQOSA-N 1 1 347.572 3.793 50 0 EHAAMO COc1ccccc1-c1cc(C[NH+]2CCN(c3ccccc3)CC2)on1 ZINC000012587118 564060214 /nfs/dbraw/zinc/06/02/14/564060214.db2.gz LNKNTTSLEPGIAA-UHFFFAOYSA-N 1 1 349.434 3.672 50 0 EHAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000012658783 564062507 /nfs/dbraw/zinc/06/25/07/564062507.db2.gz VDGSGEDIQNWBAS-GPLHXQHMSA-N 1 1 335.532 3.845 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000084041062 564065885 /nfs/dbraw/zinc/06/58/85/564065885.db2.gz AYYJWXOKVFRNNQ-UHFFFAOYSA-N 1 1 345.874 3.785 50 0 EHAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000084041062 564065886 /nfs/dbraw/zinc/06/58/86/564065886.db2.gz AYYJWXOKVFRNNQ-UHFFFAOYSA-N 1 1 345.874 3.785 50 0 EHAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1O ZINC000015837184 564076470 /nfs/dbraw/zinc/07/64/70/564076470.db2.gz SXIPPPIDZBQMGM-MRXNPFEDSA-N 1 1 331.387 3.886 50 0 EHAAMO COc1ccc(C[N@H+](CC(=O)Nc2cccc(C)c2C)C2CC2)cc1 ZINC000012888672 564077547 /nfs/dbraw/zinc/07/75/47/564077547.db2.gz OYVWNNJUVYUOBD-UHFFFAOYSA-N 1 1 338.451 3.915 50 0 EHAAMO COc1ccc(C[N@@H+](CC(=O)Nc2cccc(C)c2C)C2CC2)cc1 ZINC000012888672 564077548 /nfs/dbraw/zinc/07/75/48/564077548.db2.gz OYVWNNJUVYUOBD-UHFFFAOYSA-N 1 1 338.451 3.915 50 0 EHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)nc1 ZINC000088523159 564079567 /nfs/dbraw/zinc/07/95/67/564079567.db2.gz DWCWLDIWFRYICF-HXUWFJFHSA-N 1 1 325.456 3.883 50 0 EHAAMO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)on1 ZINC000088604773 564079650 /nfs/dbraw/zinc/07/96/50/564079650.db2.gz DRFQPUBYXVTGGE-KRWDZBQOSA-N 1 1 328.437 3.780 50 0 EHAAMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)on1 ZINC000088604773 564079651 /nfs/dbraw/zinc/07/96/51/564079651.db2.gz DRFQPUBYXVTGGE-KRWDZBQOSA-N 1 1 328.437 3.780 50 0 EHAAMO CC(C)c1cc(C[NH2+]Cc2ccccc2N2C[C@H](C)O[C@@H](C)C2)on1 ZINC000088724199 564079765 /nfs/dbraw/zinc/07/97/65/564079765.db2.gz ZUHLRHWPGTVMJJ-HOTGVXAUSA-N 1 1 343.471 3.701 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000075130979 564080428 /nfs/dbraw/zinc/08/04/28/564080428.db2.gz OXKFSMXXOYMZJS-KZNAEPCWSA-N 1 1 341.430 3.552 50 0 EHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)C1 ZINC000063852873 564082105 /nfs/dbraw/zinc/08/21/05/564082105.db2.gz GYHUONPEMSQFAC-HNNXBMFYSA-N 1 1 339.483 3.508 50 0 EHAAMO CC[C@H](C(=O)N1CCC[N@H+](C2CCSCC2)CC1)c1ccccc1 ZINC000575615979 564083432 /nfs/dbraw/zinc/08/34/32/564083432.db2.gz KKAIPVSKYVNZBA-IBGZPJMESA-N 1 1 346.540 3.610 50 0 EHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000006558231 564092054 /nfs/dbraw/zinc/09/20/54/564092054.db2.gz IBGGKOLAUJMDKJ-HNNXBMFYSA-N 1 1 334.529 3.925 50 0 EHAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007503606 564109413 /nfs/dbraw/zinc/10/94/13/564109413.db2.gz KSUXPFZJYNCRHV-INIZCTEOSA-N 1 1 347.462 3.939 50 0 EHAAMO C[C@@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1nnc2n1CCCC2 ZINC000089913864 564115248 /nfs/dbraw/zinc/11/52/48/564115248.db2.gz LRBNDNQXQCFKIE-OAHLLOKOSA-N 1 1 340.471 3.787 50 0 EHAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003982 564116157 /nfs/dbraw/zinc/11/61/57/564116157.db2.gz OUIDXYPYQKJPPH-AWEZNQCLSA-N 1 1 342.468 3.591 50 0 EHAAMO FC(F)Oc1ccc(Cl)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252467363 564118815 /nfs/dbraw/zinc/11/88/15/564118815.db2.gz GCUXWLLWWFVHNO-AWEZNQCLSA-N 1 1 330.806 3.612 50 0 EHAAMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000252513855 564120224 /nfs/dbraw/zinc/12/02/24/564120224.db2.gz AIXVKPVRVHMNFH-QXAKKESOSA-N 1 1 325.456 3.630 50 0 EHAAMO CCC(=O)Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253408233 564130655 /nfs/dbraw/zinc/13/06/55/564130655.db2.gz KNOFQEOCUDMJBE-GOEBONIOSA-N 1 1 333.501 3.787 50 0 biogenic EHAAMO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000253417790 564130838 /nfs/dbraw/zinc/13/08/38/564130838.db2.gz HCMVIVCIAYMTBD-JLMWRMLUSA-N 1 1 348.490 3.891 50 0 EHAAMO Cc1nc(C[NH+]2CCC(CNc3nnc(C(C)C)s3)CC2)oc1C ZINC000253420186 564131013 /nfs/dbraw/zinc/13/10/13/564131013.db2.gz GFUVPRYTJCUAOI-UHFFFAOYSA-N 1 1 349.504 3.590 50 0 EHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000095474868 564141411 /nfs/dbraw/zinc/14/14/11/564141411.db2.gz JSKQQVVKXIHVIZ-SFHVURJKSA-N 1 1 341.499 3.755 50 0 EHAAMO Cc1cc([C@@H](C)[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc(C)c1F ZINC000095962422 564142770 /nfs/dbraw/zinc/14/27/70/564142770.db2.gz ONUIWNUPZLIRHO-DNVCBOLYSA-N 1 1 328.431 3.923 50 0 EHAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2[nH]c1=O ZINC000097201375 564149517 /nfs/dbraw/zinc/14/95/17/564149517.db2.gz ZTTIFGPYMDCRPA-CYBMUJFWSA-N 1 1 333.391 3.862 50 0 EHAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2[nH]c1=O ZINC000097201375 564149518 /nfs/dbraw/zinc/14/95/18/564149518.db2.gz ZTTIFGPYMDCRPA-CYBMUJFWSA-N 1 1 333.391 3.862 50 0 EHAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCO)cc1 ZINC000002974777 564153911 /nfs/dbraw/zinc/15/39/11/564153911.db2.gz SJWWLBQPGPKZRG-UHFFFAOYSA-N 1 1 344.418 3.800 50 0 EHAAMO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3Cl)CC2)c1C ZINC000057882598 564156382 /nfs/dbraw/zinc/15/63/82/564156382.db2.gz QBICMPGEJGYPNP-HXUWFJFHSA-N 1 1 344.886 3.812 50 0 EHAAMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000354052020 564157771 /nfs/dbraw/zinc/15/77/71/564157771.db2.gz BIRZNCMZKDUTRI-ZDUSSCGKSA-N 1 1 333.505 3.624 50 0 EHAAMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000354052020 564157772 /nfs/dbraw/zinc/15/77/72/564157772.db2.gz BIRZNCMZKDUTRI-ZDUSSCGKSA-N 1 1 333.505 3.624 50 0 EHAAMO Cn1nccc1C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000058292599 564158407 /nfs/dbraw/zinc/15/84/07/564158407.db2.gz UDKRMWBVYWFSGJ-UHFFFAOYSA-N 1 1 340.402 3.594 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCCOc3ccccc32)c(C(C)C)nn1C ZINC000058393330 564159005 /nfs/dbraw/zinc/15/90/05/564159005.db2.gz QEMFFJWVDPIDMG-MRXNPFEDSA-N 1 1 329.444 3.556 50 0 EHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccccn1 ZINC000069486969 564169833 /nfs/dbraw/zinc/16/98/33/564169833.db2.gz UYNICMVNRLBHPN-TZIWHRDSSA-N 1 1 349.478 3.657 50 0 EHAAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(F)cc3cccnc32)cc1 ZINC000069744754 564171991 /nfs/dbraw/zinc/17/19/91/564171991.db2.gz BAUNJXJPYUNFDW-LJQANCHMSA-N 1 1 340.398 3.548 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000069919799 564172812 /nfs/dbraw/zinc/17/28/12/564172812.db2.gz NRSHRFNWGMCVEU-CYBMUJFWSA-N 1 1 340.402 3.543 50 0 EHAAMO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)c1 ZINC000069920096 564172842 /nfs/dbraw/zinc/17/28/42/564172842.db2.gz OIKTWTWQXYHIBJ-HNNXBMFYSA-N 1 1 330.482 3.733 50 0 EHAAMO c1cnn(C[C@@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)c1 ZINC000069920096 564172843 /nfs/dbraw/zinc/17/28/43/564172843.db2.gz OIKTWTWQXYHIBJ-HNNXBMFYSA-N 1 1 330.482 3.733 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 ZINC000069947713 564172891 /nfs/dbraw/zinc/17/28/91/564172891.db2.gz TZFNVUIROZGWSI-CQSZACIVSA-N 1 1 344.484 3.818 50 0 EHAAMO CC(C)CC[N@@H+](C1CCOCC1)C1CCN(Cc2cccnc2)CC1 ZINC000169752277 1032607224 /nfs/dbraw/zinc/60/72/24/1032607224.db2.gz WQJIUSAYMZFQGR-UHFFFAOYSA-N 1 1 345.531 3.573 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000169791967 1032660564 /nfs/dbraw/zinc/66/05/64/1032660564.db2.gz BBCJWTSEHRMNTK-GOSISDBHSA-N 1 1 331.504 3.963 50 0 EHAAMO Cc1noc(C)c1Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000350479224 1036601309 /nfs/dbraw/zinc/60/13/09/1036601309.db2.gz IEQPATUOHRWQAL-QGZVFWFLSA-N 1 1 338.411 3.602 50 0 EHAAMO Cc1noc(C)c1Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000350479224 1036601314 /nfs/dbraw/zinc/60/13/14/1036601314.db2.gz IEQPATUOHRWQAL-QGZVFWFLSA-N 1 1 338.411 3.602 50 0 EHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/c2cnccn2)cc1 ZINC000084692297 1039256481 /nfs/dbraw/zinc/25/64/81/1039256481.db2.gz REDINWVELYUWCN-ZNFPLGDCSA-N 1 1 336.439 3.503 50 0 EHAAMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186935348 1129924864 /nfs/dbraw/zinc/92/48/64/1129924864.db2.gz BBQXTFYOVDVWJD-HXUWFJFHSA-N 1 1 348.450 3.828 50 0 EHAAMO COc1ccccc1Oc1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000824827642 1131221588 /nfs/dbraw/zinc/22/15/88/1131221588.db2.gz XLPJULBRFNTIJT-UHFFFAOYSA-N 1 1 326.396 3.522 50 0 EHAAMO CCNC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1sccc1C)CCO2 ZINC000575542614 1131568265 /nfs/dbraw/zinc/56/82/65/1131568265.db2.gz WNGJAMNTNSZHSV-UHFFFAOYSA-N 1 1 345.468 3.593 50 0 EHAAMO CCNC(=O)Nc1ccc2c(c1)C[N@H+](Cc1sccc1C)CCO2 ZINC000575542614 1131568268 /nfs/dbraw/zinc/56/82/68/1131568268.db2.gz WNGJAMNTNSZHSV-UHFFFAOYSA-N 1 1 345.468 3.593 50 0 EHAAMO COCCCn1c(C)cnc1[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581815725 1132371979 /nfs/dbraw/zinc/37/19/79/1132371979.db2.gz HBZQFWQAKKDJIZ-IBGZPJMESA-N 1 1 327.472 3.526 50 0 EHAAMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1cccnc1N(C)C ZINC000585084379 1136972956 /nfs/dbraw/zinc/97/29/56/1136972956.db2.gz TYXSWJRDUQKXNQ-IBGZPJMESA-N 1 1 325.456 3.666 50 0 EHAAMO Cc1ncc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)o1 ZINC000862252008 1137479693 /nfs/dbraw/zinc/47/96/93/1137479693.db2.gz AUAOJRSYOCEMJQ-QFIPXVFZSA-N 1 1 348.446 3.819 50 0 EHAAMO Cc1ccc2ccccc2c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000952879930 1137483241 /nfs/dbraw/zinc/48/32/41/1137483241.db2.gz ALNISJCAQWXYDW-UHFFFAOYSA-N 1 1 338.495 3.881 50 0 EHAAMO c1cc(CNC[C@@H]2CCC[N@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960081 1137483626 /nfs/dbraw/zinc/48/36/26/1137483626.db2.gz BANAVHMDNDIBNB-SFHVURJKSA-N 1 1 338.499 3.617 50 0 EHAAMO Cc1cc2ccccc2n1CC[NH2+]Cc1cc(CN(C)C)cs1 ZINC000952980303 1137484685 /nfs/dbraw/zinc/48/46/85/1137484685.db2.gz GKAGPSBVRXBNQH-UHFFFAOYSA-N 1 1 327.497 3.863 50 0 EHAAMO CCCn1c(C)nc2cc(NC(=O)CCn3cc[nH+]c3CC)ccc21 ZINC000952980858 1137484712 /nfs/dbraw/zinc/48/47/12/1137484712.db2.gz IVXSSWFTPYRSGD-UHFFFAOYSA-N 1 1 339.443 3.542 50 0 EHAAMO CC[N@@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000952985111 1137485501 /nfs/dbraw/zinc/48/55/01/1137485501.db2.gz BRTOERRJJAOMAW-CYBMUJFWSA-N 1 1 334.847 3.918 50 0 EHAAMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCSCC1 ZINC000097742647 219052446 /nfs/dbraw/zinc/05/24/46/219052446.db2.gz LYRPECZVZUNWGQ-UHFFFAOYSA-N 1 1 328.481 3.988 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000055132702 214278278 /nfs/dbraw/zinc/27/82/78/214278278.db2.gz ATHYGXMZNHSWPZ-CYBMUJFWSA-N 1 1 331.441 3.504 50 0 EHAAMO CC(=O)OCc1c(C)cc(C)c(C[N@H+](C)[C@H](C)c2ccncn2)c1C ZINC000055327140 214307705 /nfs/dbraw/zinc/30/77/05/214307705.db2.gz LQDXFBBRGXPAHR-MRXNPFEDSA-N 1 1 341.455 3.658 50 0 EHAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000049581339 214019911 /nfs/dbraw/zinc/01/99/11/214019911.db2.gz MTUAQGLAHCIRFJ-KRWDZBQOSA-N 1 1 342.508 3.978 50 0 EHAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](CCCc2ccccc2)C1 ZINC000065492855 214932100 /nfs/dbraw/zinc/93/21/00/214932100.db2.gz QIFDKOFUEIJTHG-NRFANRHFSA-N 1 1 326.484 3.652 50 0 EHAAMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000003423071 210035678 /nfs/dbraw/zinc/03/56/78/210035678.db2.gz JNCCZJIGYHXSMQ-CQSZACIVSA-N 1 1 341.238 3.548 50 0 EHAAMO CC[C@H](O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851523 215231136 /nfs/dbraw/zinc/23/11/36/215231136.db2.gz IFGACTQOKCNFBY-KRWDZBQOSA-N 1 1 347.842 3.678 50 0 EHAAMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2oc3ccc(C)cc3c2C)C1 ZINC000067895853 215243622 /nfs/dbraw/zinc/24/36/22/215243622.db2.gz SBEDCYFIDKSDDQ-KRWDZBQOSA-N 1 1 328.456 3.788 50 0 EHAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CCC[C@H]3c3ccccn3)cc2c1 ZINC000067921128 215251339 /nfs/dbraw/zinc/25/13/39/215251339.db2.gz CIJKQYQJIDVMMS-FQEVSTJZSA-N 1 1 349.434 3.659 50 0 EHAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000038859403 213229492 /nfs/dbraw/zinc/22/94/92/213229492.db2.gz FUHCPSGRYMKIDH-KGLIPLIRSA-N 1 1 340.870 3.996 50 0 EHAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000038859403 213229495 /nfs/dbraw/zinc/22/94/95/213229495.db2.gz FUHCPSGRYMKIDH-KGLIPLIRSA-N 1 1 340.870 3.996 50 0 EHAAMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098680 213065747 /nfs/dbraw/zinc/06/57/47/213065747.db2.gz IKXDVGXKLLMNCI-GOSISDBHSA-N 1 1 331.456 3.766 50 0 EHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)cc1 ZINC000036095301 213064059 /nfs/dbraw/zinc/06/40/59/213064059.db2.gz MXAOLYADGZBOJT-LJQANCHMSA-N 1 1 337.504 3.577 50 0 EHAAMO Fc1ccc(N2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000072128082 216019545 /nfs/dbraw/zinc/01/95/45/216019545.db2.gz MMLPNKKYWDRYBO-UHFFFAOYSA-N 1 1 340.402 3.521 50 0 EHAAMO C[NH+]1CCC(C2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)CC1 ZINC000072148833 216036196 /nfs/dbraw/zinc/03/61/96/216036196.db2.gz KIBOTGCPMOYAKU-UHFFFAOYSA-N 1 1 344.547 3.696 50 0 EHAAMO COc1ccc(NC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)cc1 ZINC000072168687 216058607 /nfs/dbraw/zinc/05/86/07/216058607.db2.gz PBSZPHMNTBKLFJ-KRWDZBQOSA-N 1 1 342.443 3.677 50 0 EHAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072253563 216083570 /nfs/dbraw/zinc/08/35/70/216083570.db2.gz RHQGAFMUXKLTGV-IBGZPJMESA-N 1 1 335.455 3.560 50 0 EHAAMO CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC[N@H+]1C(C)C ZINC000072421552 216210100 /nfs/dbraw/zinc/21/01/00/216210100.db2.gz DMQQWASBKKNCKB-HXUWFJFHSA-N 1 1 340.515 3.998 50 0 EHAAMO CC(C)Nc1ccnc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000072424524 216215232 /nfs/dbraw/zinc/21/52/32/216215232.db2.gz TVFRAWDJZZTCKF-INIZCTEOSA-N 1 1 343.450 3.513 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000023638553 212386648 /nfs/dbraw/zinc/38/66/48/212386648.db2.gz BVQKEVBBYDJAFZ-UHFFFAOYSA-N 1 1 345.446 3.501 50 0 EHAAMO CCc1n[nH]c2c1C[N@H+](Cc1ccc(-c3ccc(OC)cc3)o1)CC2 ZINC000023430219 212376654 /nfs/dbraw/zinc/37/66/54/212376654.db2.gz YEEWKBIHGLRIQP-UHFFFAOYSA-N 1 1 337.423 3.799 50 0 EHAAMO CCc1n[nH]c2c1C[N@@H+](Cc1ccc(-c3ccc(OC)cc3)o1)CC2 ZINC000023430219 212376657 /nfs/dbraw/zinc/37/66/57/212376657.db2.gz YEEWKBIHGLRIQP-UHFFFAOYSA-N 1 1 337.423 3.799 50 0 EHAAMO CCc1[nH]nc2c1C[N@H+](Cc1ccc(-c3ccc(OC)cc3)o1)CC2 ZINC000023430219 212376662 /nfs/dbraw/zinc/37/66/62/212376662.db2.gz YEEWKBIHGLRIQP-UHFFFAOYSA-N 1 1 337.423 3.799 50 0 EHAAMO CCc1[nH]nc2c1C[N@@H+](Cc1ccc(-c3ccc(OC)cc3)o1)CC2 ZINC000023430219 212376664 /nfs/dbraw/zinc/37/66/64/212376664.db2.gz YEEWKBIHGLRIQP-UHFFFAOYSA-N 1 1 337.423 3.799 50 0 EHAAMO CC(=O)Nc1ccc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000023373704 212373015 /nfs/dbraw/zinc/37/30/15/212373015.db2.gz DDLGVPWFXVWKIW-NRFANRHFSA-N 1 1 343.515 3.779 50 0 EHAAMO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)cc1 ZINC000023373704 212373017 /nfs/dbraw/zinc/37/30/17/212373017.db2.gz DDLGVPWFXVWKIW-NRFANRHFSA-N 1 1 343.515 3.779 50 0 EHAAMO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CCCO3)CC2)c1 ZINC000214981800 241099281 /nfs/dbraw/zinc/09/92/81/241099281.db2.gz NZTTZAOYJMQDCP-IBGZPJMESA-N 1 1 329.419 3.751 50 0 EHAAMO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2nonc2c1 ZINC000215217901 241115030 /nfs/dbraw/zinc/11/50/30/241115030.db2.gz VUCZQRKGJZAJHC-KRWDZBQOSA-N 1 1 327.384 3.689 50 0 EHAAMO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2nonc2c1 ZINC000215217901 241115034 /nfs/dbraw/zinc/11/50/34/241115034.db2.gz VUCZQRKGJZAJHC-KRWDZBQOSA-N 1 1 327.384 3.689 50 0 EHAAMO CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000206792361 241051004 /nfs/dbraw/zinc/05/10/04/241051004.db2.gz IRHDAFZYWHWIDM-GOSISDBHSA-N 1 1 347.528 3.900 50 0 EHAAMO CCCn1cc(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c(C)n1 ZINC000216460788 241195281 /nfs/dbraw/zinc/19/52/81/241195281.db2.gz PNGREFOBYFOWMG-HXUWFJFHSA-N 1 1 332.536 3.544 50 0 EHAAMO 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C[C@H](N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421347 218363024 /nfs/dbraw/zinc/36/30/24/218363024.db2.gz YTWFEDATJQSRIF-PXNSSMCTSA-N 1 1 341.499 3.698 50 0 EHAAMO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CN3CCCC3=O)C2)c1Cl ZINC000097528947 219033595 /nfs/dbraw/zinc/03/35/95/219033595.db2.gz ZNRWKMSFWCBVAR-AWEZNQCLSA-N 1 1 338.854 3.622 50 0 EHAAMO Cc1ccc(F)c(C[N@H+]2CCC[C@H](CN3CCCC3=O)C2)c1Cl ZINC000097528947 219033598 /nfs/dbraw/zinc/03/35/98/219033598.db2.gz ZNRWKMSFWCBVAR-AWEZNQCLSA-N 1 1 338.854 3.622 50 0 EHAAMO O=C(Nc1ccccc1)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000299801204 258104254 /nfs/dbraw/zinc/10/42/54/258104254.db2.gz WDMJBCDNMRGQSR-QUCCMNQESA-N 1 1 335.451 3.815 50 0 EHAAMO COc1cc(C[N@H+]2Cc3cc(C)ccc3O[C@@H](C)C2)cc(OC)c1O ZINC000299765553 258080978 /nfs/dbraw/zinc/08/09/78/258080978.db2.gz BSQVXYDLPHLKPA-AWEZNQCLSA-N 1 1 343.423 3.501 50 0 EHAAMO COc1cc(C[N@@H+]2Cc3cc(C)ccc3O[C@@H](C)C2)cc(OC)c1O ZINC000299765553 258080979 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CC(C)=CCSc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071921772 563627169 /nfs/dbraw/zinc/62/71/69/563627169.db2.gz JJGZJIYABRFPKP-MRXNPFEDSA-N 1 1 344.524 3.959 50 0 EHAAMO O=C(c1ccccc1)[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2)C1 ZINC000032561064 563649274 /nfs/dbraw/zinc/64/92/74/563649274.db2.gz SCUUTEDYFUSFSY-PZJWPPBQSA-N 1 1 334.463 3.860 50 0 EHAAMO Cc1ncc(C[NH2+]Cc2cccnc2Oc2c(C)cccc2C)n1C ZINC000012445033 563661195 /nfs/dbraw/zinc/66/11/95/563661195.db2.gz BTORZHQZWYFJQD-UHFFFAOYSA-N 1 1 336.439 3.822 50 0 EHAAMO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000013724307 563718033 /nfs/dbraw/zinc/71/80/33/563718033.db2.gz YSKWVAZYUIBVNX-MRXNPFEDSA-N 1 1 338.407 3.901 50 0 EHAAMO Cc1cccc(C)c1N1C(=O)C[C@H]([N@H+](Cc2ccccc2)C2CC2)C1=O ZINC000032771940 563731017 /nfs/dbraw/zinc/73/10/17/563731017.db2.gz QKIQTFOCRUJQNN-IBGZPJMESA-N 1 1 348.446 3.600 50 0 EHAAMO Cc1cccc(C)c1N1C(=O)C[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1=O ZINC000032771940 563731021 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O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000032911534 563804390 /nfs/dbraw/zinc/80/43/90/563804390.db2.gz IPAAJEWADDZFJU-INIZCTEOSA-N 1 1 328.843 3.734 50 0 EHAAMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1 ZINC000016695372 563820956 /nfs/dbraw/zinc/82/09/56/563820956.db2.gz OWOBATZTBQXVDX-GOSISDBHSA-N 1 1 325.387 3.549 50 0 EHAAMO O=C(NC1CC1)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000024518526 563872194 /nfs/dbraw/zinc/87/21/94/563872194.db2.gz VHOLTVUSLJHAAL-QGZVFWFLSA-N 1 1 348.368 3.815 50 0 EHAAMO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024673154 563873835 /nfs/dbraw/zinc/87/38/35/563873835.db2.gz MNMVRQWJQGIYBK-INIZCTEOSA-N 1 1 338.451 3.934 50 0 EHAAMO CSc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029489188 563906814 /nfs/dbraw/zinc/90/68/14/563906814.db2.gz RJMSCKGHVHQFLX-GOSISDBHSA-N 1 1 326.465 3.966 50 0 EHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000002861003 563917625 /nfs/dbraw/zinc/91/76/25/563917625.db2.gz 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/nfs/dbraw/zinc/17/13/69/564171369.db2.gz AKICSUFDXFIJCR-HIFRSBDPSA-N 1 1 330.378 3.781 50 0 EHAAMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1Cl ZINC000069743699 564171929 /nfs/dbraw/zinc/17/19/29/564171929.db2.gz NFRBIFOYKWPXFF-KRWDZBQOSA-N 1 1 342.870 3.634 50 0 EHAAMO CCn1ccnc1C[NH2+][C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000019794378 1018094282 /nfs/dbraw/zinc/09/42/82/1018094282.db2.gz LFYPFFQPKFVIKL-IBGZPJMESA-N 1 1 349.482 3.873 50 0 EHAAMO CCCCN(C(=O)/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000022590791 1022086839 /nfs/dbraw/zinc/08/68/39/1022086839.db2.gz DCWKRBUZLUVFGF-JUXQWVBMSA-N 1 1 326.484 3.954 50 0 EHAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000006937182 1030105318 /nfs/dbraw/zinc/10/53/18/1030105318.db2.gz RJDRSELFTKMTNZ-KGLIPLIRSA-N 1 1 332.271 3.998 50 0 EHAAMO CC(C)n1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000172012926 1034771771 /nfs/dbraw/zinc/77/17/71/1034771771.db2.gz BBNLCKXJVSFVID-UHFFFAOYSA-N 1 1 327.472 3.688 50 0 EHAAMO Cc1csc(C[N@H+](C)[C@H]2CCC(=O)N(CCCC(C)C)CC2)n1 ZINC000023310578 1035073000 /nfs/dbraw/zinc/07/30/00/1035073000.db2.gz KYHYWXMQJFJOSM-INIZCTEOSA-N 1 1 337.533 3.701 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)Nc3ccccc3)C2)n1CC1CC1 ZINC000257194710 1038557519 /nfs/dbraw/zinc/55/75/19/1038557519.db2.gz UODCLRWWZRDJTN-KRWDZBQOSA-N 1 1 338.455 3.698 50 0 EHAAMO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000004982697 1042714020 /nfs/dbraw/zinc/71/40/20/1042714020.db2.gz NTDRGWTXPLNWEF-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO COc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000004982697 1042714023 /nfs/dbraw/zinc/71/40/23/1042714023.db2.gz NTDRGWTXPLNWEF-KRWDZBQOSA-N 1 1 342.439 3.835 50 0 EHAAMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cc(OC)ccc2O1 ZINC000012279438 1129474091 /nfs/dbraw/zinc/47/40/91/1129474091.db2.gz MZQJVMBJSQDAST-QGZVFWFLSA-N 1 1 327.424 3.877 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cc(C)ccc2-n2cccn2)c1 ZINC000823649000 1131073589 /nfs/dbraw/zinc/07/35/89/1131073589.db2.gz PXAZMQFBBMSZBS-GOSISDBHSA-N 1 1 334.467 3.947 50 0 EHAAMO COCC[N@@H+](Cc1ccc2c(ccn2C)c1)Cc1cccc(OC)c1 ZINC000824405482 1131202504 /nfs/dbraw/zinc/20/25/04/1131202504.db2.gz QKTFAGYVTPAMDE-UHFFFAOYSA-N 1 1 338.451 3.836 50 0 EHAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581806819 1132369294 /nfs/dbraw/zinc/36/92/94/1132369294.db2.gz ZTYYNNNIQBSADJ-QGZVFWFLSA-N 1 1 325.456 3.615 50 0 EHAAMO CC(C)(C)c1ccc(OCc2nnc([C@H]3CC34CC[NH2+]CC4)[nH]2)cc1 ZINC000952967599 1137484953 /nfs/dbraw/zinc/48/49/53/1137484953.db2.gz ZTMAWMDYAIGYIT-MRXNPFEDSA-N 1 1 340.471 3.538 50 0 EHAAMO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000952967599 1137484955 /nfs/dbraw/zinc/48/49/55/1137484955.db2.gz ZTMAWMDYAIGYIT-MRXNPFEDSA-N 1 1 340.471 3.538 50 0 EHAAMO CCCSc1ncc(C[N@H+](Cc2c(C)nn(C)c2C)C(C)C)cn1 ZINC000055108242 214274743 /nfs/dbraw/zinc/27/47/43/214274743.db2.gz JOPWDWBJFQUTLT-UHFFFAOYSA-N 1 1 347.532 3.740 50 0 EHAAMO CCCSc1ncc(C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)cn1 ZINC000055108242 214274746 /nfs/dbraw/zinc/27/47/46/214274746.db2.gz JOPWDWBJFQUTLT-UHFFFAOYSA-N 1 1 347.532 3.740 50 0 EHAAMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1 ZINC000055154506 214280798 /nfs/dbraw/zinc/28/07/98/214280798.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 1 1 328.500 3.783 50 0 EHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000055543217 214328688 /nfs/dbraw/zinc/32/86/88/214328688.db2.gz DNYWEYLVKVBVOX-HNNXBMFYSA-N 1 1 342.405 3.786 50 0 EHAAMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000098020465 219070487 /nfs/dbraw/zinc/07/04/87/219070487.db2.gz DMBHHFMWVGHYEE-AWEZNQCLSA-N 1 1 347.422 3.569 50 0 EHAAMO COc1ccc(-c2cc(N3CC[NH2+]C[C@@H]3C)c3ccccc3n2)cc1 ZINC000004542895 210218046 /nfs/dbraw/zinc/21/80/46/210218046.db2.gz OOBNRRMBCKHQPS-HNNXBMFYSA-N 1 1 333.435 3.709 50 0 EHAAMO CCOP(=O)(OCC)OCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000004000059 210099137 /nfs/dbraw/zinc/09/91/37/210099137.db2.gz RPYOYJSKUKGJFB-INIZCTEOSA-N 1 1 342.376 3.806 50 0 biogenic EHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2c(s1)CCC2 ZINC000003345331 210014240 /nfs/dbraw/zinc/01/42/40/210014240.db2.gz SWYQPRJQCGNLPM-HNNXBMFYSA-N 1 1 344.480 3.787 50 0 EHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2F)cc1F ZINC000067555075 215160914 /nfs/dbraw/zinc/16/09/14/215160914.db2.gz SMCKWPDKQUEAMI-UHFFFAOYSA-N 1 1 342.349 3.781 50 0 EHAAMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000067603514 215167343 /nfs/dbraw/zinc/16/73/43/215167343.db2.gz IWYWWNVGLXSREP-OAHLLOKOSA-N 1 1 325.412 3.552 50 0 EHAAMO CSc1ccc2cc(C[N@@H+](C)Cc3ccncc3C)c(=O)[nH]c2c1 ZINC000067908058 215247037 /nfs/dbraw/zinc/24/70/37/215247037.db2.gz RODSXSGBRDAHBY-UHFFFAOYSA-N 1 1 339.464 3.585 50 0 EHAAMO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000067921808 215251524 /nfs/dbraw/zinc/25/15/24/215251524.db2.gz ABJOYSPDSIYBTQ-IBGZPJMESA-N 1 1 337.423 3.787 50 0 EHAAMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000067921808 215251526 /nfs/dbraw/zinc/25/15/26/215251526.db2.gz ABJOYSPDSIYBTQ-IBGZPJMESA-N 1 1 337.423 3.787 50 0 EHAAMO CC(=O)c1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC000000485580 209631136 /nfs/dbraw/zinc/63/11/36/209631136.db2.gz UUHOVFWFIBJYHZ-SFHVURJKSA-N 1 1 349.390 3.756 50 0 biogenic EHAAMO C[C@H](OC[C@@H](O)C[N@@H+]1CCn2cccc2[C@H]1C)c1ccc(Cl)cc1 ZINC000037195939 213135319 /nfs/dbraw/zinc/13/53/19/213135319.db2.gz OITKTIVKDVWHHD-VKJFTORMSA-N 1 1 348.874 3.657 50 0 EHAAMO C[C@H](OC[C@@H](O)C[N@H+]1CCn2cccc2[C@H]1C)c1ccc(Cl)cc1 ZINC000037195939 213135323 /nfs/dbraw/zinc/13/53/23/213135323.db2.gz OITKTIVKDVWHHD-VKJFTORMSA-N 1 1 348.874 3.657 50 0 EHAAMO Cc1ccc(C)c(C[N@H+](C[C@H](O)COCc2ccco2)C(C)C)c1 ZINC000036103854 213069061 /nfs/dbraw/zinc/06/90/61/213069061.db2.gz VZZWHCFSLMGCKP-IBGZPJMESA-N 1 1 331.456 3.685 50 0 EHAAMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1 ZINC000036101955 213067109 /nfs/dbraw/zinc/06/71/09/213067109.db2.gz ZCFCKPRRPBTBSM-OAQYLSRUSA-N 1 1 345.458 3.922 50 0 EHAAMO CC(C)C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036095373 213063949 /nfs/dbraw/zinc/06/39/49/213063949.db2.gz SMMLTEOBPSOHII-NRFANRHFSA-N 1 1 345.458 3.861 50 0 EHAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@H](OCc3cccnc3)C2)cc1 ZINC000072124074 216016008 /nfs/dbraw/zinc/01/60/08/216016008.db2.gz KDMDHUCFWVLSQL-BFJGLSHQSA-N 1 1 326.415 3.915 50 0 EHAAMO CN1CCC([N@H+](Cc2cccnc2)Cc2ccc3occc3c2)CC1 ZINC000072135251 216024170 /nfs/dbraw/zinc/02/41/70/216024170.db2.gz XVYAWBAMYIGGLU-UHFFFAOYSA-N 1 1 335.451 3.924 50 0 EHAAMO CN1CCC([N@@H+](Cc2cccnc2)Cc2ccc3occc3c2)CC1 ZINC000072135251 216024172 /nfs/dbraw/zinc/02/41/72/216024172.db2.gz XVYAWBAMYIGGLU-UHFFFAOYSA-N 1 1 335.451 3.924 50 0 EHAAMO Cc1cccc(-c2ncc(CN3CC([N@@H+]4CCCC[C@H]4C)C3)cn2)c1 ZINC000072143343 216028374 /nfs/dbraw/zinc/02/83/74/216028374.db2.gz XTAYQAUAADWLII-QGZVFWFLSA-N 1 1 336.483 3.511 50 0 EHAAMO CSCc1noc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072154809 216043503 /nfs/dbraw/zinc/04/35/03/216043503.db2.gz VJDWPMUMNUQPTH-OAHLLOKOSA-N 1 1 347.484 3.626 50 0 EHAAMO CSCc1noc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072154809 216043506 /nfs/dbraw/zinc/04/35/06/216043506.db2.gz VJDWPMUMNUQPTH-OAHLLOKOSA-N 1 1 347.484 3.626 50 0 EHAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)o2)n[nH]1 ZINC000072429361 216220695 /nfs/dbraw/zinc/22/06/95/216220695.db2.gz FIAOLLANKKFYOF-CQSZACIVSA-N 1 1 347.422 3.926 50 0 EHAAMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000023806007 212396493 /nfs/dbraw/zinc/39/64/93/212396493.db2.gz KPWVJWQHDVZSEA-OXQOHEQNSA-N 1 1 334.419 3.861 50 0 EHAAMO OCC1CCN([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000022851164 212329042 /nfs/dbraw/zinc/32/90/42/212329042.db2.gz PZXDUGYEFRUJOQ-NRFANRHFSA-N 1 1 338.495 3.509 50 0 EHAAMO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc4ccccc43)C2)CC1 ZINC000022851164 212329046 /nfs/dbraw/zinc/32/90/46/212329046.db2.gz PZXDUGYEFRUJOQ-NRFANRHFSA-N 1 1 338.495 3.509 50 0 EHAAMO c1cncc(N2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)c1 ZINC000215043463 241103444 /nfs/dbraw/zinc/10/34/44/241103444.db2.gz VNYDWANQDHUWMU-UHFFFAOYSA-N 1 1 337.467 3.725 50 0 EHAAMO O=C([C@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000215354705 241121376 /nfs/dbraw/zinc/12/13/76/241121376.db2.gz KYINKJMIFGSBMW-IBGZPJMESA-N 1 1 340.492 3.512 50 0 EHAAMO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1C ZINC000216469950 241193560 /nfs/dbraw/zinc/19/35/60/241193560.db2.gz XXRWZNWYGSVPIB-LJQANCHMSA-N 1 1 337.471 3.744 50 0 EHAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1C ZINC000216469950 241193564 /nfs/dbraw/zinc/19/35/64/241193564.db2.gz XXRWZNWYGSVPIB-LJQANCHMSA-N 1 1 337.471 3.744 50 0 EHAAMO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229746891 242197015 /nfs/dbraw/zinc/19/70/15/242197015.db2.gz ICYYEJIQJICFTO-MOPGFXCFSA-N 1 1 343.471 3.756 50 0 EHAAMO O=C(CC[N@H+]1CCc2sccc2C1)Nc1ccc2c(c1)CCC2 ZINC000021420103 212224749 /nfs/dbraw/zinc/22/47/49/212224749.db2.gz CRHZLFJAQKNKEY-UHFFFAOYSA-N 1 1 326.465 3.624 50 0 EHAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000021175384 212213735 /nfs/dbraw/zinc/21/37/35/212213735.db2.gz HNBPNUQVQPNMMO-LBPRGKRZSA-N 1 1 339.842 3.865 50 0 EHAAMO Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H](O)c2ccccc2)cc1C ZINC000243919541 243033964 /nfs/dbraw/zinc/03/39/64/243033964.db2.gz BOSKMJHZOMWBCT-FQEVSTJZSA-N 1 1 340.467 3.688 50 0 EHAAMO Cc1nccn1C[C@@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020119314 212102725 /nfs/dbraw/zinc/10/27/25/212102725.db2.gz YHNKFBGZWZSVCW-SJLPKXTDSA-N 1 1 337.471 3.514 50 0 EHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccccc1F ZINC000012460073 211388899 /nfs/dbraw/zinc/38/88/99/211388899.db2.gz KZTZVVNQWCTFRE-INIZCTEOSA-N 1 1 341.430 3.852 50 0 EHAAMO CCc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)o1 ZINC000012440485 211383097 /nfs/dbraw/zinc/38/30/97/211383097.db2.gz DLDVWXNHJYCVIT-OAQYLSRUSA-N 1 1 343.467 3.668 50 0 EHAAMO CCCCc1nc2cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)ccc2o1 ZINC000012303492 211338477 /nfs/dbraw/zinc/33/84/77/211338477.db2.gz ICWOIDFMYKHXSF-HNNXBMFYSA-N 1 1 343.471 3.631 50 0 EHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1OC ZINC000012196637 211316743 /nfs/dbraw/zinc/31/67/43/211316743.db2.gz SSQYWVCICUXZCY-MRXNPFEDSA-N 1 1 345.464 3.860 50 0 EHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCC1 ZINC000012111911 211290588 /nfs/dbraw/zinc/29/05/88/211290588.db2.gz ZKYVLKRLQINMJU-QGZVFWFLSA-N 1 1 348.918 3.853 50 0 EHAAMO Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011947439 211274217 /nfs/dbraw/zinc/27/42/17/211274217.db2.gz HVUDMFVFFKHEQP-QGZVFWFLSA-N 1 1 326.415 3.529 50 0 EHAAMO Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011947439 211274221 /nfs/dbraw/zinc/27/42/21/211274221.db2.gz HVUDMFVFFKHEQP-QGZVFWFLSA-N 1 1 326.415 3.529 50 0 EHAAMO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000011818062 211251943 /nfs/dbraw/zinc/25/19/43/211251943.db2.gz VNXGSLNBBSUNPG-FQEVSTJZSA-N 1 1 332.463 3.686 50 0 EHAAMO Cc1cccc([C@H](C(=O)NCc2cccc(OC(F)F)c2)[NH+](C)C)c1 ZINC000091593764 218028273 /nfs/dbraw/zinc/02/82/73/218028273.db2.gz RUFLLOURZBSUJA-QGZVFWFLSA-N 1 1 348.393 3.516 50 0 EHAAMO c1cnn(-c2cccc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)c2)c1 ZINC000011821513 211252579 /nfs/dbraw/zinc/25/25/79/211252579.db2.gz PIFOVFZZBITQFY-FQEVSTJZSA-N 1 1 332.451 3.949 50 0 EHAAMO C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)nc2)CC[C@@]1(O)C1CCC1 ZINC000091649712 218039599 /nfs/dbraw/zinc/03/95/99/218039599.db2.gz NNAZAXOMHUNPQA-KUHUBIRLSA-N 1 1 343.496 3.578 50 0 EHAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000092097498 218118376 /nfs/dbraw/zinc/11/83/76/218118376.db2.gz PJCBBQXGUOFGJX-LJQANCHMSA-N 1 1 345.874 3.782 50 0 EHAAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000010225875 211156237 /nfs/dbraw/zinc/15/62/37/211156237.db2.gz OHPKLFNEPGJUJS-SFHVURJKSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000010225875 211156240 /nfs/dbraw/zinc/15/62/40/211156240.db2.gz OHPKLFNEPGJUJS-SFHVURJKSA-N 1 1 346.377 3.749 50 0 EHAAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000010226050 211155534 /nfs/dbraw/zinc/15/55/34/211155534.db2.gz QAQMRDGFGRERCQ-SFHVURJKSA-N 1 1 328.387 3.610 50 0 EHAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000010226050 211155538 /nfs/dbraw/zinc/15/55/38/211155538.db2.gz QAQMRDGFGRERCQ-SFHVURJKSA-N 1 1 328.387 3.610 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1ccc2ccccc2n1 ZINC000095359078 218292185 /nfs/dbraw/zinc/29/21/85/218292185.db2.gz MYXPQJNRUGGJMZ-OAHLLOKOSA-N 1 1 336.439 3.774 50 0 EHAAMO COc1ccccc1OCC[N@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095363719 218296560 /nfs/dbraw/zinc/29/65/60/218296560.db2.gz NHQLUZNIKDCMNK-QGZVFWFLSA-N 1 1 343.471 3.731 50 0 EHAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)CCn1ccc2ccccc21 ZINC000095371682 218303861 /nfs/dbraw/zinc/30/38/61/218303861.db2.gz NDIMCZAVVIGLIZ-MRXNPFEDSA-N 1 1 338.455 3.681 50 0 EHAAMO Cc1cccc(NC2CCN(C(=O)c3cc(C)c(F)cc3F)CC2)[nH+]1 ZINC000095407195 218343462 /nfs/dbraw/zinc/34/34/62/218343462.db2.gz PEVILYNAYUKHJC-UHFFFAOYSA-N 1 1 345.393 3.693 50 0 EHAAMO C[C@H](NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cnccn1 ZINC000095419242 218359292 /nfs/dbraw/zinc/35/92/92/218359292.db2.gz FUFZRUMWBGZAGW-RDJZCZTQSA-N 1 1 330.501 3.662 50 0 EHAAMO CN1CCN(C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421739 218364105 /nfs/dbraw/zinc/36/41/05/218364105.db2.gz MAVCMLXGHWZTOF-DHIUTWEWSA-N 1 1 349.522 3.642 50 0 EHAAMO COc1ccc(CNc2ccc(Cn3cc[nH+]c3C)cc2)cc1F ZINC000095429030 218371892 /nfs/dbraw/zinc/37/18/92/218371892.db2.gz MASVSGIBGSNCHI-UHFFFAOYSA-N 1 1 325.387 4.000 50 0 EHAAMO CC(C)[C@H](C)[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000095453808 218397550 /nfs/dbraw/zinc/39/75/50/218397550.db2.gz SXXCEZKAAABNBD-AWEZNQCLSA-N 1 1 341.455 3.857 50 0 EHAAMO Cc1[nH+]c2cc3c(cc2n1CCOc1ccccc1Cl)OCCO3 ZINC000006547784 210651560 /nfs/dbraw/zinc/65/15/60/210651560.db2.gz 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EHAAMO O=C(c1cccc(Cl)c1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000000088174 563221402 /nfs/dbraw/zinc/22/14/02/563221402.db2.gz JHRZAMFRSIKIOP-UHFFFAOYSA-N 1 1 342.870 3.731 50 0 EHAAMO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000004841507 563512856 /nfs/dbraw/zinc/51/28/56/563512856.db2.gz QPXLDQIOJMCWIS-UHFFFAOYSA-N 1 1 343.858 3.653 50 0 EHAAMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000071911966 563591361 /nfs/dbraw/zinc/59/13/61/563591361.db2.gz DBMSRLSVPATPFC-INIZCTEOSA-N 1 1 337.471 3.558 50 0 EHAAMO O=C(NCc1ccccc1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012572125 563663548 /nfs/dbraw/zinc/66/35/48/563663548.db2.gz QFHSPQXMPLNJJX-SFHVURJKSA-N 1 1 329.488 3.673 50 0 EHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2nccs2)C1 ZINC000012711274 563668625 /nfs/dbraw/zinc/66/86/25/563668625.db2.gz SGTCDRBYCANGAO-GOSISDBHSA-N 1 1 343.540 3.838 50 0 EHAAMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000013041999 563686344 /nfs/dbraw/zinc/68/63/44/563686344.db2.gz 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563863137 /nfs/dbraw/zinc/86/31/37/563863137.db2.gz SWIPRTFWBKNWTF-UHFFFAOYSA-N 1 1 347.462 3.703 50 0 EHAAMO O=c1c2cccc(F)c2ncn1CC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000032513835 563913813 /nfs/dbraw/zinc/91/38/13/563913813.db2.gz RHMLHBVNXMESAC-INIZCTEOSA-N 1 1 343.446 3.723 50 0 EHAAMO c1coc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)c1 ZINC000109764910 563914562 /nfs/dbraw/zinc/91/45/62/563914562.db2.gz YOCUVOYBYPHQNU-UHFFFAOYSA-N 1 1 349.394 3.586 50 0 EHAAMO O=C(N1CCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016361089 563918054 /nfs/dbraw/zinc/91/80/54/563918054.db2.gz AXOHVCMPDQSTAL-UHFFFAOYSA-N 1 1 349.478 3.609 50 0 EHAAMO Cc1cccc(OCCN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000059424753 563949102 /nfs/dbraw/zinc/94/91/02/563949102.db2.gz YYOVLFGTWMSXLD-UHFFFAOYSA-N 1 1 330.516 3.962 50 0 EHAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2OC)on1 ZINC000064984380 563957369 /nfs/dbraw/zinc/95/73/69/563957369.db2.gz ZSSQALSHNDXSFJ-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2OC)on1 ZINC000064984380 563957371 /nfs/dbraw/zinc/95/73/71/563957371.db2.gz ZSSQALSHNDXSFJ-OAHLLOKOSA-N 1 1 346.427 3.600 50 0 EHAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@@H]1c1c(C)noc1C)=C2 ZINC000065386470 563959337 /nfs/dbraw/zinc/95/93/37/563959337.db2.gz WLISTCUVYZHPGL-QGZVFWFLSA-N 1 1 340.423 3.913 50 0 EHAAMO OCCCC[N@H+]1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071759203 563965346 /nfs/dbraw/zinc/96/53/46/563965346.db2.gz MBMXVAAJWPPMDX-OAQYLSRUSA-N 1 1 339.479 3.682 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC000077407233 563969476 /nfs/dbraw/zinc/96/94/76/563969476.db2.gz KGXPKQXMGUVENC-QGZVFWFLSA-N 1 1 331.847 3.930 50 0 EHAAMO Cc1cc(N2CCN(Cc3ncccc3C)CC2)c2ccccc2[nH+]1 ZINC000077469909 563969814 /nfs/dbraw/zinc/96/98/14/563969814.db2.gz HLBPOPWLKHLXQQ-UHFFFAOYSA-N 1 1 332.451 3.569 50 0 EHAAMO O=C1CC[C@@]2(CCC[N@@H+](CC3CCC3)C2)CN1CCc1ccccc1 ZINC000077505250 563970049 /nfs/dbraw/zinc/97/00/49/563970049.db2.gz CMHZLANBFRUHDX-JOCHJYFZSA-N 1 1 340.511 3.734 50 0 EHAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1Cl ZINC000077505770 563970115 /nfs/dbraw/zinc/97/01/15/563970115.db2.gz XMNKLAGQMKQFLZ-INIZCTEOSA-N 1 1 333.863 3.995 50 0 EHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](c2ccccc2C)C1 ZINC000082092510 563972074 /nfs/dbraw/zinc/97/20/74/563972074.db2.gz RCCJUUSBZHKDTL-GOSISDBHSA-N 1 1 325.456 3.686 50 0 EHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CCc1cccs1 ZINC000082116166 563972448 /nfs/dbraw/zinc/97/24/48/563972448.db2.gz DXEQKAMPHVKERU-MRXNPFEDSA-N 1 1 331.485 3.657 50 0 EHAAMO Fc1cc(Cl)cnc1N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137824 563972659 /nfs/dbraw/zinc/97/26/59/563972659.db2.gz MGIUNNYQFINIHN-ZDUSSCGKSA-N 1 1 334.826 3.865 50 0 EHAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cc2ccccc2)c1 ZINC000095523147 563977396 /nfs/dbraw/zinc/97/73/96/563977396.db2.gz FLYNJNOXXOKUSN-RTWAWAEBSA-N 1 1 349.478 3.978 50 0 EHAAMO Cc1c2ccccc2oc1C[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095529816 563977539 /nfs/dbraw/zinc/97/75/39/563977539.db2.gz CSNYDKNJVVXOES-XMSQKQJNSA-N 1 1 349.430 3.712 50 0 EHAAMO Cc1[nH+]ccn1-c1ccccc1CNc1nccc(-c2ccccn2)n1 ZINC000096153469 563979738 /nfs/dbraw/zinc/97/97/38/563979738.db2.gz KPLNAGJCFKNTEQ-UHFFFAOYSA-N 1 1 342.406 3.645 50 0 EHAAMO C[C@H](NC(=S)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044057877 563981200 /nfs/dbraw/zinc/98/12/00/563981200.db2.gz DLDFMJYRYMZPIK-QFBILLFUSA-N 1 1 339.508 3.611 50 0 EHAAMO C[C@H](NC(=S)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044057877 563981201 /nfs/dbraw/zinc/98/12/01/563981201.db2.gz DLDFMJYRYMZPIK-QFBILLFUSA-N 1 1 339.508 3.611 50 0 EHAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000248163024 563996439 /nfs/dbraw/zinc/99/64/39/563996439.db2.gz YOACYIMJWBLZJL-CHWSQXEVSA-N 1 1 347.509 3.570 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCOc3c(C)cc(C)cc32)c(C(C)C)nn1C ZINC000065593310 563998650 /nfs/dbraw/zinc/99/86/50/563998650.db2.gz ZDKOXJOLMMZWLK-QGZVFWFLSA-N 1 1 343.471 3.782 50 0 EHAAMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000076084814 564000608 /nfs/dbraw/zinc/00/06/08/564000608.db2.gz ATSINZUFGYGDDD-NSHDSACASA-N 1 1 340.880 3.747 50 0 EHAAMO C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000105724762 564025311 /nfs/dbraw/zinc/02/53/11/564025311.db2.gz OZDQCQONSXHERI-QWHCGFSZSA-N 1 1 341.402 3.530 50 0 EHAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000107347173 564026903 /nfs/dbraw/zinc/02/69/03/564026903.db2.gz IOYRAHSBLQGCLG-HSALFYBXSA-N 1 1 326.484 3.657 50 0 EHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1ccsc1 ZINC000108083414 564027658 /nfs/dbraw/zinc/02/76/58/564027658.db2.gz KCLQVFQRRTZEIZ-DKSSEZFCSA-N 1 1 340.492 3.995 50 0 EHAAMO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000108176449 564027993 /nfs/dbraw/zinc/02/79/93/564027993.db2.gz URZHKDCKLZBCFC-IRXDYDNUSA-N 1 1 327.472 3.589 50 0 EHAAMO Cc1occc1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048884977 564032295 /nfs/dbraw/zinc/03/22/95/564032295.db2.gz IGKRSLAHLHKBTQ-IYBDPMFKSA-N 1 1 340.467 3.996 50 0 EHAAMO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000220750434 564036017 /nfs/dbraw/zinc/03/60/17/564036017.db2.gz AXSIVYKMDMDSDI-SFHVURJKSA-N 1 1 328.481 3.727 50 0 EHAAMO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000220750434 564036018 /nfs/dbraw/zinc/03/60/18/564036018.db2.gz AXSIVYKMDMDSDI-SFHVURJKSA-N 1 1 328.481 3.727 50 0 EHAAMO Cc1ccc(CNC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033312173 564036676 /nfs/dbraw/zinc/03/66/76/564036676.db2.gz XSWBFMOTXJKMKV-SFHVURJKSA-N 1 1 343.515 3.649 50 0 EHAAMO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC000222346524 564036811 /nfs/dbraw/zinc/03/68/11/564036811.db2.gz OTACMNKIGLAQFK-JOCHJYFZSA-N 1 1 348.490 3.667 50 0 EHAAMO Brc1ccccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000225518985 564047500 /nfs/dbraw/zinc/04/75/00/564047500.db2.gz MELIEYYARTYYMD-MRXNPFEDSA-N 1 1 347.256 3.635 50 0 EHAAMO COc1c(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c(C)nn1C ZINC000058342030 564050314 /nfs/dbraw/zinc/05/03/14/564050314.db2.gz ZTIVOYGKXQLIRK-SECBINFHSA-N 1 1 328.243 3.895 50 0 EHAAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858607 564052370 /nfs/dbraw/zinc/05/23/70/564052370.db2.gz VOGAZANACSOPIM-QGZVFWFLSA-N 1 1 339.435 3.901 50 0 EHAAMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000025229032 564053855 /nfs/dbraw/zinc/05/38/55/564053855.db2.gz ASVTUSWKXGUDDQ-SJLPKXTDSA-N 1 1 345.464 3.528 50 0 EHAAMO CC[N@@H+](C)C(C)(C)CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000534667298 564061542 /nfs/dbraw/zinc/06/15/42/564061542.db2.gz AWBFOQPINRVYOF-UHFFFAOYSA-N 1 1 342.487 3.572 50 0 EHAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)n(-c2ccccc2)n1 ZINC000012751381 564067021 /nfs/dbraw/zinc/06/70/21/564067021.db2.gz QAEIAGBPKDXIQK-KRWDZBQOSA-N 1 1 348.450 3.812 50 0 EHAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)n(-c2ccccc2)n1 ZINC000012751381 564067022 /nfs/dbraw/zinc/06/70/22/564067022.db2.gz QAEIAGBPKDXIQK-KRWDZBQOSA-N 1 1 348.450 3.812 50 0 EHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000012784466 564070208 /nfs/dbraw/zinc/07/02/08/564070208.db2.gz SVKAYOXFMDMLSS-HNNXBMFYSA-N 1 1 349.261 3.998 50 0 EHAAMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862350 564077018 /nfs/dbraw/zinc/07/70/18/564077018.db2.gz KGHUMJSOSZSTIV-UHFFFAOYSA-N 1 1 340.398 3.698 50 0 EHAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1 ZINC000013011408 564086731 /nfs/dbraw/zinc/08/67/31/564086731.db2.gz MILCNTNPEJQCES-UHFFFAOYSA-N 1 1 331.419 3.896 50 0 EHAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1 ZINC000013011408 564086732 /nfs/dbraw/zinc/08/67/32/564086732.db2.gz MILCNTNPEJQCES-UHFFFAOYSA-N 1 1 331.419 3.896 50 0 EHAAMO Cc1nc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C)s1 ZINC000090889373 564086956 /nfs/dbraw/zinc/08/69/56/564086956.db2.gz IVWLYXOXMRGRAY-LLVKDONJSA-N 1 1 331.441 3.567 50 0 EHAAMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000245728876 564088847 /nfs/dbraw/zinc/08/88/47/564088847.db2.gz AMBUDGJKUAXCDO-GXTWGEPZSA-N 1 1 335.835 3.883 50 0 EHAAMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000245728876 564088848 /nfs/dbraw/zinc/08/88/48/564088848.db2.gz AMBUDGJKUAXCDO-GXTWGEPZSA-N 1 1 335.835 3.883 50 0 EHAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000089375344 564089934 /nfs/dbraw/zinc/08/99/34/564089934.db2.gz WLJWOZWZZKPKTJ-ROUUACIJSA-N 1 1 327.497 3.869 50 0 EHAAMO CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000089375344 564089935 /nfs/dbraw/zinc/08/99/35/564089935.db2.gz WLJWOZWZZKPKTJ-ROUUACIJSA-N 1 1 327.497 3.869 50 0 EHAAMO CN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000089375344 564089936 /nfs/dbraw/zinc/08/99/36/564089936.db2.gz WLJWOZWZZKPKTJ-ROUUACIJSA-N 1 1 327.497 3.869 50 0 EHAAMO CCOc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000000294101 564090496 /nfs/dbraw/zinc/09/04/96/564090496.db2.gz PDBOQHGOILBXBZ-UHFFFAOYSA-N 1 1 327.424 3.661 50 0 biogenic EHAAMO CCOc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000000294101 564090497 /nfs/dbraw/zinc/09/04/97/564090497.db2.gz PDBOQHGOILBXBZ-UHFFFAOYSA-N 1 1 327.424 3.661 50 0 biogenic EHAAMO CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4CC)c2c1 ZINC000003999904 564090702 /nfs/dbraw/zinc/09/07/02/564090702.db2.gz SUWZHLCNFQWNPE-LATRNWQMSA-N 1 1 340.467 3.787 50 0 in-man EHAAMO Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000006671633 564095748 /nfs/dbraw/zinc/09/57/48/564095748.db2.gz MTVUNALGUMHFEW-UHFFFAOYSA-N 1 1 333.395 3.697 50 0 EHAAMO C[C@H](c1nccs1)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170601096 564109368 /nfs/dbraw/zinc/10/93/68/564109368.db2.gz GZIGCTMCUANSDW-ZIAGYGMSSA-N 1 1 339.505 3.783 50 0 EHAAMO C[C@H](c1nccs1)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170601096 564109369 /nfs/dbraw/zinc/10/93/69/564109369.db2.gz GZIGCTMCUANSDW-ZIAGYGMSSA-N 1 1 339.505 3.783 50 0 EHAAMO Cc1nccn1C[C@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000089735524 564113466 /nfs/dbraw/zinc/11/34/66/564113466.db2.gz ZZXZRPQNXIORCY-CYBMUJFWSA-N 1 1 336.277 3.722 50 0 EHAAMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cncc(F)c1)O[C@H](C)C2 ZINC000089991043 564116098 /nfs/dbraw/zinc/11/60/98/564116098.db2.gz JZVITUMPFUWKJU-OLZOCXBDSA-N 1 1 330.403 3.794 50 0 EHAAMO C[N@@H+](C[C@H](O)CCc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000252512020 564120122 /nfs/dbraw/zinc/12/01/22/564120122.db2.gz LNVKTJAPYHTFRQ-FCHUYYIVSA-N 1 1 338.495 3.581 50 0 EHAAMO Clc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c2c(c1)COCO2 ZINC000253419788 564130958 /nfs/dbraw/zinc/13/09/58/564130958.db2.gz IWDTZYGGJAAMDI-KRWDZBQOSA-N 1 1 330.815 3.939 50 0 EHAAMO Clc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c2c(c1)COCO2 ZINC000253419788 564130959 /nfs/dbraw/zinc/13/09/59/564130959.db2.gz IWDTZYGGJAAMDI-KRWDZBQOSA-N 1 1 330.815 3.939 50 0 EHAAMO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000253431359 564131811 /nfs/dbraw/zinc/13/18/11/564131811.db2.gz GWCYOXOQMXOOOS-OXJNMPFZSA-N 1 1 344.499 3.627 50 0 EHAAMO CCc1noc(CC)c1C[NH2+][C@H](C)c1cnn(-c2ccccn2)c1C ZINC000095969152 564143307 /nfs/dbraw/zinc/14/33/07/564143307.db2.gz SDSOYZOXYZYYSH-CYBMUJFWSA-N 1 1 339.443 3.539 50 0 EHAAMO COC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1)c1ccco1 ZINC000095968844 564143330 /nfs/dbraw/zinc/14/33/30/564143330.db2.gz IDHKUPZBVDSQFF-WMLDXEAASA-N 1 1 345.443 3.848 50 0 EHAAMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CC/C=C\c1ccccc1 ZINC000096414322 564147692 /nfs/dbraw/zinc/14/76/92/564147692.db2.gz JKQJCKMVWQGIEQ-YHYXMXQVSA-N 1 1 346.434 3.686 50 0 EHAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000057318476 564153596 /nfs/dbraw/zinc/15/35/96/564153596.db2.gz KREPDZLAFLHPFV-CYBMUJFWSA-N 1 1 332.831 3.946 50 0 EHAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N1CCc2ccccc21 ZINC000057421418 564154231 /nfs/dbraw/zinc/15/42/31/564154231.db2.gz YMFKOWVDLOTCHV-ZIAGYGMSSA-N 1 1 328.843 3.968 50 0 EHAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N1CCc2ccccc21 ZINC000057421412 564154262 /nfs/dbraw/zinc/15/42/62/564154262.db2.gz YMFKOWVDLOTCHV-KBPBESRZSA-N 1 1 328.843 3.968 50 0 EHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000029838643 564154275 /nfs/dbraw/zinc/15/42/75/564154275.db2.gz RUGMLGQRSBWAKS-UHFFFAOYSA-N 1 1 328.843 3.518 50 0 EHAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1Cl ZINC000057650878 564155356 /nfs/dbraw/zinc/15/53/56/564155356.db2.gz ABKVWZRZHYCBRT-LLVKDONJSA-N 1 1 335.835 3.915 50 0 EHAAMO Cc1sc2ncnc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000007980961 564161713 /nfs/dbraw/zinc/16/17/13/564161713.db2.gz VSXRMURGJRAOCU-MRXNPFEDSA-N 1 1 338.480 3.995 50 0 in-vitro EHAAMO C[NH+](C)CC(C)(C)CNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000007984029 564161770 /nfs/dbraw/zinc/16/17/70/564161770.db2.gz UZENEBUIIKVJOL-UHFFFAOYSA-N 1 1 336.483 3.703 50 0 EHAAMO CN(C)CC(C)(C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000007984029 564161771 /nfs/dbraw/zinc/16/17/71/564161771.db2.gz UZENEBUIIKVJOL-UHFFFAOYSA-N 1 1 336.483 3.703 50 0 EHAAMO CC[N@H+](CC(=O)Nc1cccc(C)c1)Cc1ccc(OC)c(F)c1 ZINC000008133639 564163100 /nfs/dbraw/zinc/16/31/00/564163100.db2.gz VOQZOPGOXSOETE-UHFFFAOYSA-N 1 1 330.403 3.603 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1cccc(C)c1)Cc1ccc(OC)c(F)c1 ZINC000008133639 564163101 /nfs/dbraw/zinc/16/31/01/564163101.db2.gz VOQZOPGOXSOETE-UHFFFAOYSA-N 1 1 330.403 3.603 50 0 EHAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000008717988 564166894 /nfs/dbraw/zinc/16/68/94/564166894.db2.gz CHOKZMRWFABVDV-UHFFFAOYSA-N 1 1 332.444 3.888 50 0 EHAAMO C[N@H+](CCC(=O)Nc1ccccc1)Cc1nc2ccccc2s1 ZINC000008753487 564167325 /nfs/dbraw/zinc/16/73/25/564167325.db2.gz MBYLYSOLEAPZFC-UHFFFAOYSA-N 1 1 325.437 3.757 50 0 EHAAMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1nc2ccccc2s1 ZINC000008753487 564167326 /nfs/dbraw/zinc/16/73/26/564167326.db2.gz MBYLYSOLEAPZFC-UHFFFAOYSA-N 1 1 325.437 3.757 50 0 EHAAMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000069696423 564171507 /nfs/dbraw/zinc/17/15/07/564171507.db2.gz JXLYFIAMTADONL-UHFFFAOYSA-N 1 1 346.519 3.728 50 0 EHAAMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737741 564171788 /nfs/dbraw/zinc/17/17/88/564171788.db2.gz QCTSNVFIFNSAPH-VXGBXAGGSA-N 1 1 344.286 3.648 50 0 EHAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)NCc2cccc(F)c2)cc1 ZINC000069776022 564172118 /nfs/dbraw/zinc/17/21/18/564172118.db2.gz QPFCNPBYIZKFRB-UHFFFAOYSA-N 1 1 338.386 3.701 50 0 EHAAMO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000069833323 564172384 /nfs/dbraw/zinc/17/23/84/564172384.db2.gz ZRZMGUZZNAUCFS-HOTGVXAUSA-N 1 1 330.497 3.647 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000069919262 564172833 /nfs/dbraw/zinc/17/28/33/564172833.db2.gz HNGQGSLMTPGVPK-CQSZACIVSA-N 1 1 329.469 3.862 50 0 EHAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000069928020 564172860 /nfs/dbraw/zinc/17/28/60/564172860.db2.gz CYYPRBGKNDTCBJ-LESCRADOSA-N 1 1 341.455 3.704 50 0 EHAAMO Cc1cnn([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000070039697 564173524 /nfs/dbraw/zinc/17/35/24/564173524.db2.gz UIGJZRQVCDUOOD-QLFBSQMISA-N 1 1 325.416 3.542 50 0 EHAAMO O=C(C[NH+]1CCCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000071810480 564175597 /nfs/dbraw/zinc/17/55/97/564175597.db2.gz BTZPUNGXEQFZHZ-UHFFFAOYSA-N 1 1 347.459 3.688 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000071870779 564176190 /nfs/dbraw/zinc/17/61/90/564176190.db2.gz JZOOUGCSRVHNGU-KURKYZTESA-N 1 1 341.430 3.552 50 0 EHAAMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875261 564176238 /nfs/dbraw/zinc/17/62/38/564176238.db2.gz QDPHAJQAFUVOOM-ZIAGYGMSSA-N 1 1 343.456 3.610 50 0 EHAAMO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875261 564176239 /nfs/dbraw/zinc/17/62/39/564176239.db2.gz QDPHAJQAFUVOOM-ZIAGYGMSSA-N 1 1 343.456 3.610 50 0 EHAAMO Cc1c[nH+]c(CCNC(=O)Nc2ccc(C)c(C)c2)n1C1CCC1 ZINC000169787969 1032652559 /nfs/dbraw/zinc/65/25/59/1032652559.db2.gz XXGNASWHTAWITN-UHFFFAOYSA-N 1 1 326.444 3.898 50 0 EHAAMO Cc1nc([C@H]2CC23CC[NH+](Cc2cccc(Cl)c2F)CC3)no1 ZINC000257187513 1032698297 /nfs/dbraw/zinc/69/82/97/1032698297.db2.gz LUCDGVYTTAIYLJ-CYBMUJFWSA-N 1 1 335.810 3.940 50 0 EHAAMO Cc1ccc2c(c1)ncn(CC[C@H]1CCCC[N@H+]1C1CCCC1)c2=O ZINC000032547784 1037380613 /nfs/dbraw/zinc/38/06/13/1037380613.db2.gz IMOHRLNZCRBJTA-GOSISDBHSA-N 1 1 339.483 3.892 50 0 EHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1C(C)C ZINC000257192319 1038530106 /nfs/dbraw/zinc/53/01/06/1038530106.db2.gz TVVWITRLSCTMSA-IBGZPJMESA-N 1 1 339.483 3.796 50 0 EHAAMO CCCCn1nc(Cc2cccnc2)nc1[C@H]1CCCCC[N@@H+]1C ZINC000822888892 1131027967 /nfs/dbraw/zinc/02/79/67/1131027967.db2.gz UHZVBYPJKAKLHY-QGZVFWFLSA-N 1 1 327.476 3.611 50 0 EHAAMO CCCCn1nc(Cc2cccnc2)nc1[C@H]1CCCCC[N@H+]1C ZINC000822888892 1131027973 /nfs/dbraw/zinc/02/79/73/1131027973.db2.gz UHZVBYPJKAKLHY-QGZVFWFLSA-N 1 1 327.476 3.611 50 0 EHAAMO COc1cccc(C[N@H+]2CCC[C@@H](Cn3c(C)cnc3C3CC3)C2)c1 ZINC000581807541 1132369496 /nfs/dbraw/zinc/36/94/96/1132369496.db2.gz ONFOTELXFLLCRH-GOSISDBHSA-N 1 1 339.483 3.990 50 0 EHAAMO Cc1ccc(-c2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)o1 ZINC000952971537 1137484161 /nfs/dbraw/zinc/48/41/61/1137484161.db2.gz ORDLYKAXJIIUNP-QGZVFWFLSA-N 1 1 338.407 3.881 50 0 EHAAMO CC(C)Cn1ccc2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000108513296 1140003207 /nfs/dbraw/zinc/00/32/07/1140003207.db2.gz MVDGSGPPHFEFFS-MRXNPFEDSA-N 1 1 342.487 3.761 50 0 EHAAMO CC[C@H](CO)[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C ZINC000055089124 214270626 /nfs/dbraw/zinc/27/06/26/214270626.db2.gz CBOWWXYIRHBPRJ-GOSISDBHSA-N 1 1 329.488 3.789 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000055099470 214272458 /nfs/dbraw/zinc/27/24/58/214272458.db2.gz WOYBXYRTSCNKTE-MRXNPFEDSA-N 1 1 336.435 3.868 50 0 EHAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000055099472 214272553 /nfs/dbraw/zinc/27/25/53/214272553.db2.gz WOYBXYRTSCNKTE-INIZCTEOSA-N 1 1 336.435 3.868 50 0 EHAAMO COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)ccc1F ZINC000055053105 214267462 /nfs/dbraw/zinc/26/74/62/214267462.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 1 1 346.490 3.922 50 0 EHAAMO Cc1ccc(OC[C@@H]2CCC[N@@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000055152802 214278757 /nfs/dbraw/zinc/27/87/57/214278757.db2.gz FSMWTPIQWODORM-QGZVFWFLSA-N 1 1 326.440 3.695 50 0 EHAAMO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)Cc2cc(C)[nH]n2)cc1 ZINC000055165877 214281787 /nfs/dbraw/zinc/28/17/87/214281787.db2.gz NQJZLRZKEOPJOC-UHFFFAOYSA-N 1 1 342.487 3.612 50 0 EHAAMO CC(=O)Oc1c(C)cc(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)cc1C ZINC000055358897 214311665 /nfs/dbraw/zinc/31/16/65/214311665.db2.gz JLJCANRTMPVOCS-QGZVFWFLSA-N 1 1 340.467 3.995 50 0 EHAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cc3c(cc2Cl)OCO3)c1 ZINC000055401801 214318156 /nfs/dbraw/zinc/31/81/56/214318156.db2.gz WMBJQVVSFGGPAP-CYBMUJFWSA-N 1 1 332.831 3.835 50 0 EHAAMO COc1cc(C[N@@H+](C)Cn2cnc3ccccc32)ccc1OC(F)F ZINC000056696154 214385114 /nfs/dbraw/zinc/38/51/14/214385114.db2.gz 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C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccsc1 ZINC000011438337 211216705 /nfs/dbraw/zinc/21/67/05/211216705.db2.gz PQIJKVIPFMZSCY-LLVKDONJSA-N 1 1 340.395 3.809 50 0 EHAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccsc1 ZINC000011438337 211216707 /nfs/dbraw/zinc/21/67/07/211216707.db2.gz PQIJKVIPFMZSCY-LLVKDONJSA-N 1 1 340.395 3.809 50 0 EHAAMO Cc1nn(CCO)c(C)c1C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000092968929 218183332 /nfs/dbraw/zinc/18/33/32/218183332.db2.gz KWRXCIGQNCCFCC-UHFFFAOYSA-N 1 1 347.462 3.675 50 0 EHAAMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000009420055 211081654 /nfs/dbraw/zinc/08/16/54/211081654.db2.gz YXRBWWYBDKQFLL-UHFFFAOYSA-N 1 1 333.395 3.697 50 0 EHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1nn(C)c3cccc(Cl)c13)C2 ZINC000095356383 218289297 /nfs/dbraw/zinc/28/92/97/218289297.db2.gz BGLHAGZBWSQSBL-LSDHHAIUSA-N 1 1 346.906 3.533 50 0 EHAAMO CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095356810 218290960 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CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000097474980 219028287 /nfs/dbraw/zinc/02/82/87/219028287.db2.gz DZLLTHDHQFEVLA-OAHLLOKOSA-N 1 1 349.521 3.672 50 0 EHAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@@H+](CC1CCC1)C2 ZINC000426423098 257968689 /nfs/dbraw/zinc/96/86/89/257968689.db2.gz QXUONFKFARZUBU-HXUWFJFHSA-N 1 1 348.437 3.579 50 0 EHAAMO CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(F)c1 ZINC000330032784 258002421 /nfs/dbraw/zinc/00/24/21/258002421.db2.gz RUTLUYHPLQYRCM-UHFFFAOYSA-N 1 1 348.805 3.996 50 0 EHAAMO C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@]1(c2ccccc2)CCOC1 ZINC000215463323 536475367 /nfs/dbraw/zinc/47/53/67/536475367.db2.gz AFRHSVYRYZQTEI-QFIPXVFZSA-N 1 1 347.462 3.662 50 0 EHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000253606460 536171987 /nfs/dbraw/zinc/17/19/87/536171987.db2.gz OXKFSMXXOYMZJS-FGTMMUONSA-N 1 1 341.430 3.552 50 0 EHAAMO COc1ccc2c(C)cc(N3CCN(c4ccccc4)CC3)[nH+]c2c1 ZINC000004982166 563517359 /nfs/dbraw/zinc/51/73/59/563517359.db2.gz CXQUYSCFMHCDAP-UHFFFAOYSA-N 1 1 333.435 3.878 50 0 EHAAMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000071911967 563591328 /nfs/dbraw/zinc/59/13/28/563591328.db2.gz DBMSRLSVPATPFC-MRXNPFEDSA-N 1 1 337.471 3.558 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000012585657 563664342 /nfs/dbraw/zinc/66/43/42/563664342.db2.gz QFYWHAMAVIFWPW-OAHLLOKOSA-N 1 1 343.496 3.545 50 0 EHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000012585657 563664344 /nfs/dbraw/zinc/66/43/44/563664344.db2.gz QFYWHAMAVIFWPW-OAHLLOKOSA-N 1 1 343.496 3.545 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccccc1F ZINC000012974786 563680242 /nfs/dbraw/zinc/68/02/42/563680242.db2.gz YFKRVKRHOFINFO-MRXNPFEDSA-N 1 1 332.444 3.513 50 0 EHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccccc1F ZINC000012974786 563680245 /nfs/dbraw/zinc/68/02/45/563680245.db2.gz YFKRVKRHOFINFO-MRXNPFEDSA-N 1 1 332.444 3.513 50 0 EHAAMO O=C(NCC1CCCCC1)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000064818054 563697762 /nfs/dbraw/zinc/69/77/62/563697762.db2.gz KTNSKFBHBOSOCP-UHFFFAOYSA-N 1 1 330.447 3.654 50 0 EHAAMO Cn1cccc1[C@H]1CCC[N@H+]1[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014070435 563737733 /nfs/dbraw/zinc/73/77/33/563737733.db2.gz AYWSYBGARSBCCX-WOJBJXKFSA-N 1 1 337.467 3.526 50 0 EHAAMO CCOC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)nc1 ZINC000024054003 563868794 /nfs/dbraw/zinc/86/87/94/563868794.db2.gz BZZQNACGSSIUFS-INIZCTEOSA-N 1 1 347.846 3.627 50 0 EHAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000058370742 563944039 /nfs/dbraw/zinc/94/40/39/563944039.db2.gz WHMYPPHHQCUUCL-HZPDHXFCSA-N 1 1 334.504 3.598 50 0 EHAAMO CC[N@@H+](Cc1ccc(C(=O)NCc2csc(C)n2)cc1)C(C)C ZINC000058379738 563944355 /nfs/dbraw/zinc/94/43/55/563944355.db2.gz MFFTZLVRFDFEPQ-UHFFFAOYSA-N 1 1 331.485 3.612 50 0 EHAAMO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000096412745 563950803 /nfs/dbraw/zinc/95/08/03/563950803.db2.gz FMFLQGBFOGVAHC-FZKQIMNGSA-N 1 1 349.862 3.518 50 0 EHAAMO CC(C)N(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000096455041 563953869 /nfs/dbraw/zinc/95/38/69/563953869.db2.gz HQYQDENXKCGIJX-HNNXBMFYSA-N 1 1 335.517 3.543 50 0 EHAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1c(C)cc(C)c(CO)c1C ZINC000063881641 563956335 /nfs/dbraw/zinc/95/63/35/563956335.db2.gz CQNYDZWHLDKKHE-KRWDZBQOSA-N 1 1 347.524 3.939 50 0 EHAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@H]1c1c(C)noc1C)=C2 ZINC000065386469 563959272 /nfs/dbraw/zinc/95/92/72/563959272.db2.gz WLISTCUVYZHPGL-KRWDZBQOSA-N 1 1 340.423 3.913 50 0 EHAAMO COCc1ncc(C[N@H+]2CCC[C@H](CCc3ccccc3F)C2)cn1 ZINC000071753180 563965229 /nfs/dbraw/zinc/96/52/29/563965229.db2.gz ZFFIXSXLQAXUPB-MRXNPFEDSA-N 1 1 343.446 3.607 50 0 EHAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccco2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763341 563965426 /nfs/dbraw/zinc/96/54/26/563965426.db2.gz TZNCANSBKKTGFX-IBGZPJMESA-N 1 1 344.430 3.678 50 0 EHAAMO CCn1c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)nc2ccccc21 ZINC000097124909 563968085 /nfs/dbraw/zinc/96/80/85/563968085.db2.gz PKDWSLNNBUHBFJ-UHFFFAOYSA-N 1 1 345.450 3.591 50 0 EHAAMO Cc1cccc2[nH]c([C@@H]3CCCN(c4[nH+]cnc5[nH]ccc54)C3)nc21 ZINC000077375983 563969240 /nfs/dbraw/zinc/96/92/40/563969240.db2.gz SUOHBQBPDGGDQJ-CYBMUJFWSA-N 1 1 332.411 3.527 50 0 EHAAMO COCCC[C@@H]1CCC[N@@H+](Cc2cnn(-c3cccc(C)c3)c2)C1 ZINC000077488694 563969975 /nfs/dbraw/zinc/96/99/75/563969975.db2.gz CVHRZRGYQDJBCF-SFHVURJKSA-N 1 1 327.472 3.819 50 0 EHAAMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2=O)c(C)c1F ZINC000077539144 563970264 /nfs/dbraw/zinc/97/02/64/563970264.db2.gz QWPYRSHKZDLDQG-GOSISDBHSA-N 1 1 332.463 3.810 50 0 EHAAMO COc1c(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c(C)nn1C ZINC000058407403 563971133 /nfs/dbraw/zinc/97/11/33/563971133.db2.gz FXYZGWQSPHTTBQ-CQSZACIVSA-N 1 1 337.876 3.717 50 0 EHAAMO CC[C@H]([NH2+]Cc1nnc(C)s1)c1ccc(Br)cc1 ZINC000097032995 563971173 /nfs/dbraw/zinc/97/11/73/563971173.db2.gz JERBFPRNDGDGJN-LBPRGKRZSA-N 1 1 326.263 3.850 50 0 EHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1 ZINC000082125809 563972534 /nfs/dbraw/zinc/97/25/34/563972534.db2.gz QCMMILXHZGUERE-UHFFFAOYSA-N 1 1 339.483 3.510 50 0 EHAAMO Cc1csc([C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199609 563973258 /nfs/dbraw/zinc/97/32/58/563973258.db2.gz HCUOARSEMSTFDX-MRXNPFEDSA-N 1 1 325.437 3.573 50 0 EHAAMO Cc1csc([C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199609 563973259 /nfs/dbraw/zinc/97/32/59/563973259.db2.gz HCUOARSEMSTFDX-MRXNPFEDSA-N 1 1 325.437 3.573 50 0 EHAAMO COc1ccc(C(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000000187912 563987994 /nfs/dbraw/zinc/98/79/94/563987994.db2.gz LUVSHTKOFJYPMP-GOSISDBHSA-N 1 1 339.435 3.766 50 0 biogenic EHAAMO COc1ccc(OC)c2c1C[N@H+]([C@H]1CCCc3ccccc31)C[C@H]2O ZINC000247888156 563991425 /nfs/dbraw/zinc/99/14/25/563991425.db2.gz LTTAMEKSNPHXFV-ZWKOTPCHSA-N 1 1 339.435 3.630 50 0 EHAAMO c1ccc(-c2nc(SC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n[nH]2)cc1 ZINC000033435712 563992120 /nfs/dbraw/zinc/99/21/20/563992120.db2.gz LVRKTHCBVHLACO-HOTGVXAUSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1 ZINC000033435712 563992121 /nfs/dbraw/zinc/99/21/21/563992121.db2.gz LVRKTHCBVHLACO-HOTGVXAUSA-N 1 1 328.485 3.828 50 0 EHAAMO c1ccc(-c2n[nH]c(SC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n2)cc1 ZINC000033435712 563992122 /nfs/dbraw/zinc/99/21/22/563992122.db2.gz LVRKTHCBVHLACO-HOTGVXAUSA-N 1 1 328.485 3.828 50 0 EHAAMO CC[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2[nH]ccc2c1 ZINC000252486412 563997761 /nfs/dbraw/zinc/99/77/61/563997761.db2.gz HLBHJQCEFPKWOT-UHFFFAOYSA-N 1 1 325.387 3.768 50 0 EHAAMO C[C@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@H+]1C ZINC000182863347 564001277 /nfs/dbraw/zinc/00/12/77/564001277.db2.gz WOAVPRXAFSJWMU-QFBILLFUSA-N 1 1 344.503 3.989 50 0 EHAAMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000105870591 564025329 /nfs/dbraw/zinc/02/53/29/564025329.db2.gz PPUJVWBPSGBIEB-QZTJIDSGSA-N 1 1 340.467 3.572 50 0 EHAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000106532008 564026443 /nfs/dbraw/zinc/02/64/43/564026443.db2.gz WHMYPPHHQCUUCL-CVEARBPZSA-N 1 1 334.504 3.598 50 0 EHAAMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C3CCCC3)[C@@H](C)C2)s1 ZINC000108096219 564027715 /nfs/dbraw/zinc/02/77/15/564027715.db2.gz MRTTXROIICQFIL-IYOUNJFTSA-N 1 1 349.544 3.604 50 0 EHAAMO COc1ccc(C2=CC[N@H+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051402191 564033178 /nfs/dbraw/zinc/03/31/78/564033178.db2.gz MOPWIZCUCHTZQO-FQEVSTJZSA-N 1 1 345.389 3.796 50 0 EHAAMO COc1ccc(C2=CC[N@@H+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051402191 564033179 /nfs/dbraw/zinc/03/31/79/564033179.db2.gz MOPWIZCUCHTZQO-FQEVSTJZSA-N 1 1 345.389 3.796 50 0 EHAAMO Cc1ccc2nc([C@H](C)NC(=O)CCC[NH+]3CCCCCC3)[nH]c2c1 ZINC000221334390 564036168 /nfs/dbraw/zinc/03/61/68/564036168.db2.gz GXZKTYAFUYWPLV-INIZCTEOSA-N 1 1 342.487 3.705 50 0 EHAAMO Cc1cc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)no1 ZINC000012538585 564058493 /nfs/dbraw/zinc/05/84/93/564058493.db2.gz DXALEMZBCGRFSZ-OAHLLOKOSA-N 1 1 342.443 3.658 50 0 EHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000012589412 564060202 /nfs/dbraw/zinc/06/02/02/564060202.db2.gz RASMTCXMKJVIEI-JOCHJYFZSA-N 1 1 346.474 3.970 50 0 EHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000012589412 564060203 /nfs/dbraw/zinc/06/02/03/564060203.db2.gz RASMTCXMKJVIEI-JOCHJYFZSA-N 1 1 346.474 3.970 50 0 EHAAMO O=C(Nc1cccc(F)c1)O[C@@H](C[NH+]1CCCCC1)C(F)(F)F ZINC000001392975 564064592 /nfs/dbraw/zinc/06/45/92/564064592.db2.gz WPTVACCWZRZTSJ-ZDUSSCGKSA-N 1 1 334.313 3.791 50 0 EHAAMO Cc1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 ZINC000012747036 564065774 /nfs/dbraw/zinc/06/57/74/564065774.db2.gz JAYFMPIMTBZGAC-FQEVSTJZSA-N 1 1 340.442 3.894 50 0 EHAAMO Cc1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 ZINC000012747036 564065775 /nfs/dbraw/zinc/06/57/75/564065775.db2.gz JAYFMPIMTBZGAC-FQEVSTJZSA-N 1 1 340.442 3.894 50 0 EHAAMO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C)CC2)no1 ZINC000084119830 564066764 /nfs/dbraw/zinc/06/67/64/564066764.db2.gz PIMXOBBSCTZDSA-KBXCAEBGSA-N 1 1 327.428 3.785 50 0 EHAAMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436697 564067095 /nfs/dbraw/zinc/06/70/95/564067095.db2.gz GLMGOLARIGOMTN-FOIQADDNSA-N 1 1 344.886 3.757 50 0 EHAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000241383260 564088314 /nfs/dbraw/zinc/08/83/14/564088314.db2.gz MTSHBMUYWLEZSD-YLJYHZDGSA-N 1 1 343.492 3.635 50 0 EHAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590827 564092592 /nfs/dbraw/zinc/09/25/92/564092592.db2.gz CQQYQHTVZHZGNF-UHFFFAOYSA-N 1 1 339.414 3.554 50 0 EHAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000426396356 564093575 /nfs/dbraw/zinc/09/35/75/564093575.db2.gz FLLHWPFXZFFLOL-XOKHGSTOSA-N 1 1 327.827 3.638 50 0 EHAAMO CCc1oc(C(N)=O)cc1C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426383780 564093536 /nfs/dbraw/zinc/09/35/36/564093536.db2.gz IUWYSGXRDBNOHI-MRXNPFEDSA-N 1 1 326.440 3.567 50 0 EHAAMO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C(C)C)s1 ZINC000036101196 564096120 /nfs/dbraw/zinc/09/61/20/564096120.db2.gz ILLZTPUWOSTGKM-GOSISDBHSA-N 1 1 333.497 3.845 50 0 EHAAMO C[N@@H+](CCNC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000064805019 564096359 /nfs/dbraw/zinc/09/63/59/564096359.db2.gz MHUFLYGJFYSENX-UHFFFAOYSA-N 1 1 332.447 3.631 50 0 EHAAMO CC1(C)CCC[N@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001843264 564099191 /nfs/dbraw/zinc/09/91/91/564099191.db2.gz FMYSIVPIFATHGN-UHFFFAOYSA-N 1 1 336.479 3.723 50 0 EHAAMO CCOCCC[N@H+]1Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2C1 ZINC000065490526 564106394 /nfs/dbraw/zinc/10/63/94/564106394.db2.gz NEMPZZSUXCBSPG-INIZCTEOSA-N 1 1 328.456 3.724 50 0 EHAAMO Cc1c[nH+]c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc1NC1C[C@@H](C)O[C@H](C)C1 ZINC000252486782 564119380 /nfs/dbraw/zinc/11/93/80/564119380.db2.gz NEQPYEBRXHURRH-WVCIDPQESA-N 1 1 348.491 3.521 50 0 EHAAMO C[C@]12CC3CC(C(=O)N[C@H]4CC[N@H+]5CCC[C@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512644 564120174 /nfs/dbraw/zinc/12/01/74/564120174.db2.gz UDAXJCVJNFABGB-MAWWAHAJSA-N 1 1 330.516 3.726 50 0 EHAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000007757168 564122725 /nfs/dbraw/zinc/12/27/25/564122725.db2.gz JWPLRAZKRRFAAW-UHFFFAOYSA-N 1 1 334.341 3.707 50 0 EHAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000007757168 564122726 /nfs/dbraw/zinc/12/27/26/564122726.db2.gz JWPLRAZKRRFAAW-UHFFFAOYSA-N 1 1 334.341 3.707 50 0 EHAAMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@H]1C ZINC000252676106 564124848 /nfs/dbraw/zinc/12/48/48/564124848.db2.gz VZOPXZFACAUSQX-ZBFHGGJFSA-N 1 1 326.444 3.571 50 0 EHAAMO Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000253396967 564130547 /nfs/dbraw/zinc/13/05/47/564130547.db2.gz CGTSZRZSLMUROA-UHFFFAOYSA-N 1 1 348.878 3.914 50 0 EHAAMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000253428007 564131223 /nfs/dbraw/zinc/13/12/23/564131223.db2.gz OOUFEHCUQSZZLY-CYBMUJFWSA-N 1 1 345.361 3.750 50 0 EHAAMO FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000278712207 564138697 /nfs/dbraw/zinc/13/86/97/564138697.db2.gz OSUQEXHDNOFSJR-CYBMUJFWSA-N 1 1 349.360 3.684 50 0 EHAAMO FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)[nH]1 ZINC000278712207 564138699 /nfs/dbraw/zinc/13/86/99/564138699.db2.gz OSUQEXHDNOFSJR-CYBMUJFWSA-N 1 1 349.360 3.684 50 0 EHAAMO CCCNC(=O)C[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000095950794 564142372 /nfs/dbraw/zinc/14/23/72/564142372.db2.gz ILBQIYFTLMSZHE-UHFFFAOYSA-N 1 1 335.300 3.544 50 0 EHAAMO CCCNC(=O)C[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000095950794 564142373 /nfs/dbraw/zinc/14/23/73/564142373.db2.gz ILBQIYFTLMSZHE-UHFFFAOYSA-N 1 1 335.300 3.544 50 0 EHAAMO COc1ccc([C@@H]2[C@@H](CN[C@@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983383 564143806 /nfs/dbraw/zinc/14/38/06/564143806.db2.gz UEJVSQZGWMLIJN-YYFZDKIDSA-N 1 1 343.446 3.573 50 0 EHAAMO COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)c3ccc(F)cn3)CCN2C)cc1 ZINC000095983383 564143807 /nfs/dbraw/zinc/14/38/07/564143807.db2.gz UEJVSQZGWMLIJN-YYFZDKIDSA-N 1 1 343.446 3.573 50 0 EHAAMO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(N2CCOC2=O)c1 ZINC000095984670 564143908 /nfs/dbraw/zinc/14/39/08/564143908.db2.gz WNDKZGFQHLUTRD-ZDUSSCGKSA-N 1 1 337.379 3.635 50 0 EHAAMO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1nc2ccccc2[nH]c1=O ZINC000097201338 564149512 /nfs/dbraw/zinc/14/95/12/564149512.db2.gz IYSIRXPTPNLBLA-UHFFFAOYSA-N 1 1 347.340 3.574 50 0 EHAAMO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1nc2ccccc2[nH]c1=O ZINC000097201338 564149513 /nfs/dbraw/zinc/14/95/13/564149513.db2.gz IYSIRXPTPNLBLA-UHFFFAOYSA-N 1 1 347.340 3.574 50 0 EHAAMO CCc1c2ccccc2[nH]c1C(=O)NCCCn1cc[nH+]c1C(C)C ZINC000670459264 564160941 /nfs/dbraw/zinc/16/09/41/564160941.db2.gz YJIBITYBBRYBGU-UHFFFAOYSA-N 1 1 338.455 3.870 50 0 EHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1csc(CCC(C)C)n1 ZINC000229561292 564161103 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