smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](Cn1c2ccccc2n(C[N@@H+](C)C2CCCCC2)c1=S)C1CCCCC1 ZINC000000711049 568465198 /nfs/dbraw/zinc/46/51/98/568465198.db2.gz KVLJWNBJNYIMGD-UHFFFAOYSA-N 2 0 400.636 5.616 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 ZINC000001873743 569056782 /nfs/dbraw/zinc/05/67/82/569056782.db2.gz JZPFBQTVTHEIAT-HLMLHLEXSA-N 2 0 418.666 5.327 50 0 biogenic HKAARP CCC[NH+](CCC)CC1c2ccccc2C(C[NH+](CCC)CCC)c2ccccc21 ZINC000002255647 569326336 /nfs/dbraw/zinc/32/63/36/569326336.db2.gz XJHGDEWGZSBPLY-UHFFFAOYSA-N 2 0 406.658 6.508 50 0 HKAARP c1ccc(-c2[nH]c(-c3ccccc3)c(C[NH+]3CCCCC3)c2C[NH+]2CCCCC2)cc1 ZINC000004015318 557505296 /nfs/dbraw/zinc/50/52/96/557505296.db2.gz MBOPQAFMSHJHET-UHFFFAOYSA-N 2 0 413.609 6.321 50 0 HKAARP CCCCCC[NH+](CCCCCC)CC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004018685 568933793 /nfs/dbraw/zinc/93/37/93/568933793.db2.gz ZIKDWVDWFNZCBI-UHFFFAOYSA-N 2 0 413.650 5.850 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004073592 568937931 /nfs/dbraw/zinc/93/79/31/568937931.db2.gz FGNDTNHMDIFKKW-BZJCUTCFSA-N 2 0 418.666 5.183 50 0 biogenic HKAARP C[C@@H](Cc1ccccc1)[NH2+]CCCCCCCCCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000004534954 568908422 /nfs/dbraw/zinc/90/84/22/568908422.db2.gz SGNZVNKYVQTCPF-UIOOFZCWSA-N 2 0 408.674 6.549 50 0 HKAARP C[C@H](Cc1ccccc1)[NH2+]CCCCCCCCCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000004534955 568908413 /nfs/dbraw/zinc/90/84/13/568908413.db2.gz SGNZVNKYVQTCPF-WMPKNSHKSA-N 2 0 408.674 6.549 50 0 HKAARP C[C@H](Cc1ccccc1)[NH2+]CCCCCCCCCC[NH2+][C@H](C)Cc1ccccc1 ZINC000004534957 568908417 /nfs/dbraw/zinc/90/84/17/568908417.db2.gz SGNZVNKYVQTCPF-CLJLJLNGSA-N 2 0 408.674 6.549 50 0 HKAARP CCCCC[NH+](C/C=C/C[NH+](Cc1ccccc1)Cc1ccccc1)CCCCC ZINC000004773525 571045264 /nfs/dbraw/zinc/04/52/64/571045264.db2.gz ZZFWNWTUNRJUQH-FOCLMDBBSA-N 2 0 406.658 6.927 50 0 HKAARP CCn1c2ccccc2[n+](CC)c1-c1ccc(-c2n(CC)c3ccccc3[n+]2CC)cc1 ZINC000004797508 559066360 /nfs/dbraw/zinc/06/63/60/559066360.db2.gz FOJNDEAJJUXMDG-UHFFFAOYSA-N 2 0 424.592 5.585 50 0 HKAARP CC[NH+](CC)CCOC(=O)c1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000004922383 559206976 /nfs/dbraw/zinc/20/69/76/559206976.db2.gz GBMGKDKIMYIPPS-UHFFFAOYSA-N 2 0 417.553 5.356 50 0 HKAARP CC(C)(C)c1cc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc(C(C)(C)C)[s+]1 ZINC000005284230 557643413 /nfs/dbraw/zinc/64/34/13/557643413.db2.gz OIRIEKLTFSBPSV-UHFFFAOYSA-N 2 0 416.740 9.229 50 0 HKAARP CC[NH+](CC)CCC[NH2+]CC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006662235 569085463 /nfs/dbraw/zinc/08/54/63/569085463.db2.gz YVHNXIFWXCEDTA-QFIPXVFZSA-N 2 0 414.556 5.244 50 0 HKAARP CC[NH+](CC)CCC[NH2+]CC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006662236 569085476 /nfs/dbraw/zinc/08/54/76/569085476.db2.gz YVHNXIFWXCEDTA-JOCHJYFZSA-N 2 0 414.556 5.244 50 0 HKAARP C(C[PH+](C1CCCCC1)C1CCCCC1)[PH+](C1CCCCC1)C1CCCCC1 ZINC000006844807 557726704 /nfs/dbraw/zinc/72/67/04/557726704.db2.gz BOUYBUIVMHNXQB-UHFFFAOYSA-N 2 0 422.618 9.281 50 0 HKAARP Cc1cc(C2[N+](=O)C(C)(C)C(c3ccc(Cl)c(C)c3)[N+](=O)C2(C)C)ccc1Cl ZINC000007813377 569312303 /nfs/dbraw/zinc/31/23/03/569312303.db2.gz QQIXDSXFDLXBJY-UHFFFAOYSA-N 2 0 419.352 5.480 50 0 HKAARP COc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(C)c1C ZINC000012305931 558375023 /nfs/dbraw/zinc/37/50/23/558375023.db2.gz HPPXSKGWPPXFFH-UHFFFAOYSA-N 2 0 421.629 5.364 50 0 HKAARP CCOc1ccccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012306094 558374978 /nfs/dbraw/zinc/37/49/78/558374978.db2.gz CTSDLWCUMOTJJU-UHFFFAOYSA-N 2 0 407.602 5.137 50 0 HKAARP Cc1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc(C)c1O ZINC000012317933 558381357 /nfs/dbraw/zinc/38/13/57/558381357.db2.gz AEAQQIQRABLZAX-UHFFFAOYSA-N 2 0 407.602 5.061 50 0 HKAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](CCCC(F)(F)F)Cc2cccnc2)CC1 ZINC000012387747 568681709 /nfs/dbraw/zinc/68/17/09/568681709.db2.gz QNPZWRKCNWROPL-UHFFFAOYSA-N 2 0 419.535 5.447 50 0 HKAARP CSc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012448369 558415431 /nfs/dbraw/zinc/41/54/31/558415431.db2.gz KOEUKDOFPFHJKD-UHFFFAOYSA-N 2 0 409.643 5.460 50 0 HKAARP CC[N@@H+](Cc1ccc(C2CCCC2)s1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012718543 558456213 /nfs/dbraw/zinc/45/62/13/558456213.db2.gz IQZVUJVERHLCQF-UHFFFAOYSA-N 2 0 403.680 5.034 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000012864396 569404351 /nfs/dbraw/zinc/40/43/51/569404351.db2.gz JZPFBQTVTHEIAT-MWXBQQNOSA-N 2 0 418.666 5.327 50 0 biogenic HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012865636 569012102 /nfs/dbraw/zinc/01/21/02/569012102.db2.gz FGNDTNHMDIFKKW-BYVFKEDWSA-N 2 0 418.666 5.183 50 0 biogenic HKAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012903598 569021029 /nfs/dbraw/zinc/02/10/29/569021029.db2.gz UAXHOTQDRMRMQZ-OAQYLSRUSA-N 2 0 413.565 5.066 50 0 HKAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012903605 569020992 /nfs/dbraw/zinc/02/09/92/569020992.db2.gz UAXHOTQDRMRMQZ-NRFANRHFSA-N 2 0 413.565 5.066 50 0 HKAARP CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@@H]2C(=C4CC(C)(C)[NH2+]C(C)(C)C4)C=C[C@H]23)CC(C)(C)[NH2+]1 ZINC000013562425 558843696 /nfs/dbraw/zinc/84/36/96/558843696.db2.gz YPNNEKSEHNACRE-PSDZOXHOSA-N 2 0 406.658 6.079 50 0 HKAARP CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@@H]2C(=C4CC(C)(C)[NH2+]C(C)(C)C4)C=C[C@@H]23)CC(C)(C)[NH2+]1 ZINC000013562427 558843754 /nfs/dbraw/zinc/84/37/54/558843754.db2.gz YPNNEKSEHNACRE-OJMUXBOWSA-N 2 0 406.658 6.079 50 0 HKAARP CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@H]2C(=C4CC(C)(C)[NH2+]C(C)(C)C4)C=C[C@H]23)CC(C)(C)[NH2+]1 ZINC000013562428 558843785 /nfs/dbraw/zinc/84/37/85/558843785.db2.gz YPNNEKSEHNACRE-IKOUWSNPSA-N 2 0 406.658 6.079 50 0 HKAARP CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@H]2C(=C4CC(C)(C)[NH2+]C(C)(C)C4)C=C[C@@H]23)CC(C)(C)[NH2+]1 ZINC000013562429 558843813 /nfs/dbraw/zinc/84/38/13/558843813.db2.gz YPNNEKSEHNACRE-IFSSTPPCSA-N 2 0 406.658 6.079 50 0 HKAARP C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014997212 568723234 /nfs/dbraw/zinc/72/32/34/568723234.db2.gz RJBKQSIILZCVJN-MHZLTWQESA-N 2 0 417.572 5.176 50 0 HKAARP C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014997215 568723274 /nfs/dbraw/zinc/72/32/74/568723274.db2.gz RJBKQSIILZCVJN-HHHXNRCGSA-N 2 0 417.572 5.176 50 0 HKAARP c1ccc(N2[NH+]=Cc3ccccc3/C2=C2\c3ccccc3C=[NH+]N2c2ccccc2)cc1 ZINC000017118532 558822946 /nfs/dbraw/zinc/82/29/46/558822946.db2.gz HJKXXCOYJYHASN-DQSJHHFOSA-N 2 0 412.496 6.221 50 0 HKAARP CCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)CC1 ZINC000019299827 558866259 /nfs/dbraw/zinc/86/62/59/558866259.db2.gz QXXZNTUUXWGAKX-UHFFFAOYSA-N 2 0 423.576 5.018 50 0 HKAARP Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)cc2)c1 ZINC000020542081 524110173 /nfs/dbraw/zinc/11/01/73/524110173.db2.gz PIVBYAXBHSYJLL-UHFFFAOYSA-N 2 0 419.613 5.185 50 0 HKAARP CCOc1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000030669461 558735332 /nfs/dbraw/zinc/73/53/32/558735332.db2.gz LVENEMGDEHQVJR-UHFFFAOYSA-N 2 0 404.554 5.112 50 0 HKAARP Clc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000030913862 558744580 /nfs/dbraw/zinc/74/45/80/558744580.db2.gz IPRHTTSJGYKIAM-UHFFFAOYSA-N 2 0 412.002 5.014 50 0 HKAARP Cc1ccsc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723323 557425975 /nfs/dbraw/zinc/42/59/75/557425975.db2.gz ZFZHGVWLLCDCLE-FPOVZHCZSA-N 2 0 422.560 5.777 50 0 HKAARP Cc1ccsc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723325 557425857 /nfs/dbraw/zinc/42/58/57/557425857.db2.gz ZFZHGVWLLCDCLE-CTNGQTDRSA-N 2 0 422.560 5.777 50 0 HKAARP COc1cccc([C@@H]2C[N@H+](Cc3sccc3C)C[C@@H]2C[NH+](C)C2CCCCC2)c1 ZINC000034723439 557425987 /nfs/dbraw/zinc/42/59/87/557425987.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 2 0 412.643 5.545 50 0 HKAARP COc1cccc([C@@H]2C[N@H+](Cc3sccc3C)C[C@H]2C[NH+](C)C2CCCCC2)c1 ZINC000034723441 557425948 /nfs/dbraw/zinc/42/59/48/557425948.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 2 0 412.643 5.545 50 0 HKAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000040103364 571163983 /nfs/dbraw/zinc/16/39/83/571163983.db2.gz IEEZRZGMDFTEKB-UHFFFAOYSA-N 2 0 422.617 5.047 50 0 HKAARP CC1([NH+]2CCC(n3c4ccccc4nc3[C@@H]3CCC[NH2+]C3)CC2)CCCCCCC1 ZINC000040934902 558825644 /nfs/dbraw/zinc/82/56/44/558825644.db2.gz CYYNMPPFEJPBJD-OAQYLSRUSA-N 2 0 408.634 5.643 50 0 in-vitro HKAARP CC1([NH+]2CCC(n3c4ccccc4nc3[C@H]3CCC[NH2+]C3)CC2)CCCCCCC1 ZINC000040935805 558825662 /nfs/dbraw/zinc/82/56/62/558825662.db2.gz CYYNMPPFEJPBJD-NRFANRHFSA-N 2 0 408.634 5.643 50 0 HKAARP Cc1nn(C(C)C)c(C)c1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000055060518 558871206 /nfs/dbraw/zinc/87/12/06/558871206.db2.gz VJHQCCNYALSKLM-UHFFFAOYSA-N 2 0 423.649 5.133 50 0 HKAARP CC[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055088200 558871711 /nfs/dbraw/zinc/87/17/11/558871711.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 2 0 417.597 5.020 50 0 HKAARP CC[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055088205 558871676 /nfs/dbraw/zinc/87/16/76/558871676.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 2 0 417.597 5.020 50 0 HKAARP Clc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000055271710 558878416 /nfs/dbraw/zinc/87/84/16/558878416.db2.gz UTEAJGDZWJORIC-UHFFFAOYSA-N 2 0 404.023 5.453 50 0 HKAARP C([PH+](C1CCCCC1)C1CCCCC1)[PH+](C1CCCCC1)C1CCCCC1 ZINC000059448060 558936505 /nfs/dbraw/zinc/93/65/05/558936505.db2.gz OWFLJHJHQKHZJR-UHFFFAOYSA-N 2 0 408.591 9.239 50 0 HKAARP Fc1ccc(/C=C/C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000067513951 558987117 /nfs/dbraw/zinc/98/71/17/558987117.db2.gz KMVOURLFAWILSH-GQCTYLIASA-N 2 0 407.577 5.391 50 0 HKAARP Oc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067743438 558992268 /nfs/dbraw/zinc/99/22/68/558992268.db2.gz NSPYBCXSRYMQPP-UHFFFAOYSA-N 2 0 413.993 5.097 50 0 HKAARP Cn1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC000067817330 558993406 /nfs/dbraw/zinc/99/34/06/558993406.db2.gz HFAYXNVTYXPRQD-UHFFFAOYSA-N 2 0 416.613 5.230 50 0 HKAARP CCCCc1ncc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)[nH]1 ZINC000072420129 558978349 /nfs/dbraw/zinc/97/83/49/558978349.db2.gz PQMUTHPUOKDLHE-UHFFFAOYSA-N 2 0 417.601 5.244 50 0 HKAARP C[NH+](C)Cc1cccc(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000078823143 569420828 /nfs/dbraw/zinc/42/08/28/569420828.db2.gz HUTIFBZBXIZUFG-UHFFFAOYSA-N 2 0 419.516 5.223 50 0 HKAARP FC(F)(F)[C@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367269 568947483 /nfs/dbraw/zinc/94/74/83/568947483.db2.gz UHKBAYYJWFEDTL-ROUUACIJSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947449 /nfs/dbraw/zinc/94/74/49/568947449.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398264 568948717 /nfs/dbraw/zinc/94/87/17/568948717.db2.gz JFVWSYMWJMWJKR-ROUUACIJSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398265 568948726 /nfs/dbraw/zinc/94/87/26/568948726.db2.gz JFVWSYMWJMWJKR-HDICACEKSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953784 568668413 /nfs/dbraw/zinc/66/84/13/568668413.db2.gz CFRFOCRTJYWZJH-ROUUACIJSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668621 /nfs/dbraw/zinc/66/86/21/568668621.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 2 0 408.430 5.235 50 0 HKAARP COc1cccc([C@H]2C[N@H+](Cc3sccc3C)C[C@@H]2C[NH+](C)C2CCCCC2)c1 ZINC000105047353 560860655 /nfs/dbraw/zinc/86/06/55/560860655.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 2 0 412.643 5.545 50 0 HKAARP Fc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169677812 569125372 /nfs/dbraw/zinc/12/53/72/569125372.db2.gz HMSBSIHKMUYPFY-NZQKXSOJSA-N 2 0 420.494 5.546 50 0 HKAARP Cc1ccsc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169678744 569126267 /nfs/dbraw/zinc/12/62/67/569126267.db2.gz ZFZHGVWLLCDCLE-TZIWHRDSSA-N 2 0 422.560 5.777 50 0 HKAARP Cc1ccsc1C[N@@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169678745 569126260 /nfs/dbraw/zinc/12/62/60/569126260.db2.gz ZFZHGVWLLCDCLE-PZJWPPBQSA-N 2 0 422.560 5.777 50 0 HKAARP C[Si](C)(C)[NH+](CCCCCC[NH+]([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C ZINC000169745161 560837518 /nfs/dbraw/zinc/83/75/18/560837518.db2.gz CANXFLFXXVYNEC-UHFFFAOYSA-N 2 0 404.940 6.490 50 0 HKAARP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222118322 569039793 /nfs/dbraw/zinc/03/97/93/569039793.db2.gz CFRFOCRTJYWZJH-QZTJIDSGSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000229703424 569040605 /nfs/dbraw/zinc/04/06/05/569040605.db2.gz JFVWSYMWJMWJKR-QZTJIDSGSA-N 2 0 408.430 5.235 50 0 HKAARP FC(F)(F)[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000229706359 569040567 /nfs/dbraw/zinc/04/05/67/569040567.db2.gz UHKBAYYJWFEDTL-QZTJIDSGSA-N 2 0 408.430 5.235 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000229863187 557751898 /nfs/dbraw/zinc/75/18/98/557751898.db2.gz JZPFBQTVTHEIAT-TVKXAPEFSA-N 2 0 418.666 5.327 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]12 ZINC000248330071 559270721 /nfs/dbraw/zinc/27/07/21/559270721.db2.gz FGNDTNHMDIFKKW-CQKWZPGWSA-N 2 0 418.666 5.183 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]12 ZINC000248330073 559270719 /nfs/dbraw/zinc/27/07/19/559270719.db2.gz FGNDTNHMDIFKKW-JABRLBJMSA-N 2 0 418.666 5.183 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000248330076 559270705 /nfs/dbraw/zinc/27/07/05/559270705.db2.gz FGNDTNHMDIFKKW-LYGWVOHZSA-N 2 0 418.666 5.183 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]12 ZINC000248330078 559270715 /nfs/dbraw/zinc/27/07/15/559270715.db2.gz FGNDTNHMDIFKKW-ZQWZWNDSSA-N 2 0 418.666 5.183 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@H]12 ZINC000248333414 559270666 /nfs/dbraw/zinc/27/06/66/559270666.db2.gz JZPFBQTVTHEIAT-APAYAGTCSA-N 2 0 418.666 5.327 50 0 HKAARP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000248333416 559270694 /nfs/dbraw/zinc/27/06/94/559270694.db2.gz JZPFBQTVTHEIAT-HEJCWENXSA-N 2 0 418.666 5.327 50 0 HKAARP C(C=[NH+]CCCCCCCC[NH+]=CC=NNc1ccccc1)=NNc1ccccc1 ZINC000252623423 569060815 /nfs/dbraw/zinc/06/08/15/569060815.db2.gz OQYLGQOGRQHSDJ-JGQJTRDGSA-N 2 0 404.562 5.664 50 0 HKAARP C(C=[NH+]CCCCCCCC[NH+]=CC=NNc1ccccc1)=NNc1ccccc1 ZINC000252623424 569060872 /nfs/dbraw/zinc/06/08/72/569060872.db2.gz OQYLGQOGRQHSDJ-RALRWNFISA-N 2 0 404.562 5.664 50 0 HKAARP C(C=[NH+]CCCCCCCC[NH+]=CC=NNc1ccccc1)=NNc1ccccc1 ZINC000252623425 569060868 /nfs/dbraw/zinc/06/08/68/569060868.db2.gz OQYLGQOGRQHSDJ-XSXCSXSQSA-N 2 0 404.562 5.664 50 0 HKAARP c1ccc2c(c1)C1=[NH+]CCCCC[NH+]=C3C=CN(CCCCCN2C=C1)c1ccccc13 ZINC000377756201 571211096 /nfs/dbraw/zinc/21/10/96/571211096.db2.gz IOXVWOJJNCBJBX-UHFFFAOYSA-N 2 0 424.592 5.987 50 0 in-vitro HKAARP