smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290523 581091127 /nfs/dbraw/zinc/09/11/27/581091127.db2.gz LVRVQELTVCNPQT-YMFKDRQTSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269337 581091137 /nfs/dbraw/zinc/09/11/37/581091137.db2.gz LVRVQELTVCNPQT-SINPBGNNSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=N[C@H]3C=CC=C[C@@H]23)CCCC1 ZINC000084541451 581091170 /nfs/dbraw/zinc/09/11/70/581091170.db2.gz PRYRMSLFNNPLDU-YWEHKCAJSA-N 1 3 494.727 7.459 1 0 JKAFHO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=N[C@@H]3C=CC=C[C@@H]23)CCCC1 ZINC000084541452 581091204 /nfs/dbraw/zinc/09/12/04/581091204.db2.gz PRYRMSLFNNPLDU-UFHPHHKVSA-N 1 3 494.727 7.459 1 0 JKAFHO c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290521 581091227 /nfs/dbraw/zinc/09/12/27/581091227.db2.gz LVRVQELTVCNPQT-WXVZLDJUSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCCCCCNc2ccncc2)CCCC1 ZINC000013801261 562994073 /nfs/dbraw/zinc/99/40/73/562994073.db2.gz NGZVYWKVKNGTSQ-UHFFFAOYSA-N 1 3 458.694 7.934 1 0 JKAFHO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026393517 563027277 /nfs/dbraw/zinc/02/72/77/563027277.db2.gz WQJGOAVTBXSUMW-SANMLTNESA-N 1 3 486.704 6.612 1 0 JKAFHO c1ccc(CN2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccccc4)c3)C2)cc1 ZINC000026652046 563032183 /nfs/dbraw/zinc/03/21/83/563032183.db2.gz NGHZITOYYPOZLV-OIDHKYIRSA-N 1 3 486.703 7.449 1 0 JKAFHO c1ccc(C[N@H+]2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccccc4)c3)C2)cc1 ZINC000026652046 563032184 /nfs/dbraw/zinc/03/21/84/563032184.db2.gz NGHZITOYYPOZLV-OIDHKYIRSA-N 1 3 486.703 7.449 1 0 JKAFHO c1ccc(C[N@@H+]2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccccc4)c3)C2)cc1 ZINC000026652046 563032185 /nfs/dbraw/zinc/03/21/85/563032185.db2.gz NGHZITOYYPOZLV-OIDHKYIRSA-N 1 3 486.703 7.449 1 0 JKAFHO Cc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523731 563066955 /nfs/dbraw/zinc/06/69/55/563066955.db2.gz RNQHDIZVKYTQNH-HHHXNRCGSA-N 1 3 473.627 5.838 1 0 JKAFHO COc1ccccc1CC[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028523998 563067043 /nfs/dbraw/zinc/06/70/43/563067043.db2.gz GKLOYHIRKOCPMO-SANMLTNESA-N 1 3 489.626 5.538 1 0 JKAFHO [NH3+]Cc1ccc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650279 563073799 /nfs/dbraw/zinc/07/37/99/563073799.db2.gz HRWGQZJKGXMOQB-IBGZPJMESA-N 1 3 477.049 5.565 1 0 JKAFHO N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC4CCCC4)cc3)s2)cc1)NC1CCCC1 ZINC000028707669 563075625 /nfs/dbraw/zinc/07/56/25/563075625.db2.gz YIZBVAQUYQEAQO-UHFFFAOYSA-N 1 3 486.689 6.840 1 0 JKAFHO C[N@@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038929 563090925 /nfs/dbraw/zinc/09/09/25/563090925.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 1 3 467.706 5.283 1 0 JKAFHO C[N@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038929 563090928 /nfs/dbraw/zinc/09/09/28/563090928.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 1 3 467.706 5.283 1 0 JKAFHO CCOc1ccc(Nc2nc3ccc(Cl)cc3c(NCC[NH+](CC)CC)n2)cc1CN(CC)CC ZINC000029206046 563098392 /nfs/dbraw/zinc/09/83/92/563098392.db2.gz NIHHSGHKFCLFDJ-UHFFFAOYSA-N 1 3 499.103 6.021 1 0 JKAFHO Clc1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccc(Cl)c(Cl)c4)C2NCC3)cc1Cl ZINC000040423058 563142191 /nfs/dbraw/zinc/14/21/91/563142191.db2.gz OEHORYKXLYYSMM-JSODFGIGSA-N 1 3 484.298 7.158 1 0 JKAFHO CN1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@@H+]1C ZINC000040763124 563147894 /nfs/dbraw/zinc/14/78/94/563147894.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 1 3 490.051 6.190 1 0 JKAFHO CN1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@H+]1C ZINC000040763124 563147895 /nfs/dbraw/zinc/14/78/95/563147895.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 1 3 490.051 6.190 1 0 JKAFHO COc1ccc2nccc(N[C@H](c3ccc(C[NH+]4CCCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040956292 563160974 /nfs/dbraw/zinc/16/09/74/563160974.db2.gz HMDSKOMZQUURRP-MUUNZHRXSA-N 1 3 458.005 6.694 1 0 JKAFHO COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](N)[C@H]([NH3+])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000044430480 563172737 /nfs/dbraw/zinc/17/27/37/563172737.db2.gz DGTREIPBLGKKFU-OKUTUCSLSA-N 1 3 484.769 6.082 1 0 JKAFHO CN(C)CCN(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C(=O)c1ccccc1 ZINC000045168142 563173616 /nfs/dbraw/zinc/17/36/16/563173616.db2.gz UCVZCVGPPWIUQQ-UHFFFAOYSA-N 1 3 491.679 5.890 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)s3)[nH]c21 ZINC000045186807 563174178 /nfs/dbraw/zinc/17/41/78/563174178.db2.gz OKXZKLGTJZPQHW-UHFFFAOYSA-N 1 3 465.626 5.984 1 0 JKAFHO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194223 563176963 /nfs/dbraw/zinc/17/69/63/563176963.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194223 563176965 /nfs/dbraw/zinc/17/69/65/563176965.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194223 563176967 /nfs/dbraw/zinc/17/69/67/563176967.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228197 563180281 /nfs/dbraw/zinc/18/02/81/563180281.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 1 3 456.537 5.900 1 0 JKAFHO NC[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228197 563180282 /nfs/dbraw/zinc/18/02/82/563180282.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 1 3 456.537 5.900 1 0 JKAFHO Clc1ccc2c(c1)nccc2NCCC[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000045291279 563185053 /nfs/dbraw/zinc/18/50/53/563185053.db2.gz UNBZPBXNPHILGR-UHFFFAOYSA-N 1 3 473.064 6.372 1 0 JKAFHO Cc1cc(-c2ccc(NC(=O)Nc3ccc4[nH+]ccc(N5CCN(C)CC5)c4c3)cc2C)cc(C)n1 ZINC000045302350 563186332 /nfs/dbraw/zinc/18/63/32/563186332.db2.gz JDLWKNGAVONVPX-UHFFFAOYSA-N 1 3 480.616 5.618 1 0 JKAFHO C[C@@H](Cc1ccc(NC(=O)CCNCc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045324394 563189160 /nfs/dbraw/zinc/18/91/60/563189160.db2.gz AREULUURAKTRQW-NRFANRHFSA-N 1 3 450.026 5.222 1 0 JKAFHO NCc1ccccc1NC(=O)OC[C@H](Oc1cc(F)cc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045367947 563193348 /nfs/dbraw/zinc/19/33/48/563193348.db2.gz DDPUNJKAKZZDPA-NRFANRHFSA-N 1 3 478.549 5.152 1 0 JKAFHO O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC000045372885 563193913 /nfs/dbraw/zinc/19/39/13/563193913.db2.gz CNSYGZOEIHDOQH-WJOKGBTCSA-N 1 3 467.657 5.094 1 0 JKAFHO Clc1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccc(Cl)c(Cl)c4)C2NCC3)cc1Cl ZINC000045498173 563196236 /nfs/dbraw/zinc/19/62/36/563196236.db2.gz MNNWEZCFQBFYRP-WWVRUBFXSA-N 1 3 498.325 7.548 1 0 JKAFHO c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108683 581091116 /nfs/dbraw/zinc/09/11/16/581091116.db2.gz LVRVQELTVCNPQT-DEEGFUGBSA-N 1 3 464.742 6.206 1 0 JKAFHO CCCCC[C@H]1C[C@H]2[C@@H]3N[C@@H](C[NH2+]C)CC[C@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547464 560072410 /nfs/dbraw/zinc/07/24/10/560072410.db2.gz XCLVHXABJDKRCI-ZIEPTBHRSA-N 1 3 472.758 5.022 1 0 biogenic,in-vitro JKAFHO c1ccc2c(c1)nccc2NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000012504439 562960396 /nfs/dbraw/zinc/96/03/96/562960396.db2.gz UNVOAAWEEGAXTN-UHFFFAOYSA-N 1 3 452.646 7.526 1 0 in-vivo JKAFHO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026394830 563027378 /nfs/dbraw/zinc/02/73/78/563027378.db2.gz JNRXDGPUJNZCAR-XMMPIXPASA-N 1 3 458.650 5.832 1 0 JKAFHO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026395713 563027392 /nfs/dbraw/zinc/02/73/92/563027392.db2.gz VMWJYELDLWZZHX-RUZDIDTESA-N 1 3 472.677 6.222 1 0 JKAFHO c1cc(-c2cccc([C@H]3CN(Cc4ccccc4)C[C@@H]3C[NH+]3CCC(c4ccccc4)CC3)c2)cs1 ZINC000026656227 563032426 /nfs/dbraw/zinc/03/24/26/563032426.db2.gz JHFXCMMRNYGHFT-JHOUSYSJSA-N 1 3 492.732 7.510 1 0 JKAFHO c1cc(-c2cccc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3CN3CCC(c4ccccc4)CC3)c2)cs1 ZINC000026656227 563032427 /nfs/dbraw/zinc/03/24/27/563032427.db2.gz JHFXCMMRNYGHFT-JHOUSYSJSA-N 1 3 492.732 7.510 1 0 JKAFHO c1cc(-c2cccc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3CN3CCC(c4ccccc4)CC3)c2)cs1 ZINC000026656227 563032428 /nfs/dbraw/zinc/03/24/28/563032428.db2.gz JHFXCMMRNYGHFT-JHOUSYSJSA-N 1 3 492.732 7.510 1 0 JKAFHO Clc1cc(Cl)cc(CC[NH2+]C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522339 563066490 /nfs/dbraw/zinc/06/64/90/563066490.db2.gz HUEWCRPAPGAMKE-SANMLTNESA-N 1 3 460.493 5.817 1 0 JKAFHO Clc1cc(Cl)cc(CC[NH2+]C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522337 563066531 /nfs/dbraw/zinc/06/65/31/563066531.db2.gz HUEWCRPAPGAMKE-AREMUKBSSA-N 1 3 460.493 5.817 1 0 JKAFHO COc1ccccc1[C@@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523637 563066905 /nfs/dbraw/zinc/06/69/05/563066905.db2.gz VMFHCPVQZNTAEM-AREMUKBSSA-N 1 3 490.519 5.826 1 0 JKAFHO CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000028564683 563069185 /nfs/dbraw/zinc/06/91/85/563069185.db2.gz HAVCLXMWRUTARG-ROJLCIKYSA-N 1 3 478.680 6.443 1 0 JKAFHO CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000028564683 563069187 /nfs/dbraw/zinc/06/91/87/563069187.db2.gz HAVCLXMWRUTARG-ROJLCIKYSA-N 1 3 478.680 6.443 1 0 JKAFHO COC(=O)C[C@@H]1c2ccccc2N=C(N(C)CCCCC[NH+](C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824848 563082060 /nfs/dbraw/zinc/08/20/60/563082060.db2.gz WSNHBKIWKNYYGN-GDLZYMKVSA-N 1 3 498.671 6.129 1 0 JKAFHO CSc1ccc([C@H]2CN(C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827065 563082781 /nfs/dbraw/zinc/08/27/81/563082781.db2.gz HAUQDPMQHAJUER-GDLZYMKVSA-N 1 3 458.671 6.764 1 0 JKAFHO CC(C)(C)C1CCC(C2=NCCc3ccc([C@H]4C[C@H]4c4ccc5cc(C(N)=[NH2+])ccc5c4)cc32)CC1 ZINC000028975676 563090053 /nfs/dbraw/zinc/09/00/53/563090053.db2.gz ZQVVKXRLPHFVOG-HCVBKAHASA-N 1 3 477.696 7.593 1 0 JKAFHO CC[NH+](CC)CCCNc1nc(NCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038882 563090889 /nfs/dbraw/zinc/09/08/89/563090889.db2.gz VMEZWIDYNQNRIR-UHFFFAOYSA-N 1 3 463.674 5.008 1 0 JKAFHO CC[C@@]1(c2cccc(O)c2)CCCCN(CCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029056040 563093544 /nfs/dbraw/zinc/09/35/44/563093544.db2.gz SKYWWOFBHWQWFU-FIRIVFDPSA-N 1 3 478.721 6.456 1 0 in-vivo JKAFHO CC[C@@]1(c2cccc(O)c2)CCCCN(CCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029056040 563093546 /nfs/dbraw/zinc/09/35/46/563093546.db2.gz SKYWWOFBHWQWFU-FIRIVFDPSA-N 1 3 478.721 6.456 1 0 in-vivo JKAFHO Cc1cc(NC(=N)c2ccccc2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccc3)cc2C)o1 ZINC000029464521 563104004 /nfs/dbraw/zinc/10/40/04/563104004.db2.gz USRZFKNSMHXOEV-UHFFFAOYSA-N 1 3 484.603 8.105 1 0 JKAFHO Cc1cc(NC(=N)c2ccccc2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccccc3)cc2C)o1 ZINC000029464521 563104006 /nfs/dbraw/zinc/10/40/06/563104006.db2.gz USRZFKNSMHXOEV-UHFFFAOYSA-N 1 3 484.603 8.105 1 0 JKAFHO Clc1cccc(N2CCN(CCCCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000035985316 563121704 /nfs/dbraw/zinc/12/17/04/563121704.db2.gz YWGRWBCJUGEEBA-UHFFFAOYSA-N 1 3 475.508 5.498 1 0 in-vivo JKAFHO CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040406453 563140163 /nfs/dbraw/zinc/14/01/63/563140163.db2.gz VOSNJKFVBDSLTN-MUUNZHRXSA-N 1 3 486.704 5.036 1 0 JKAFHO COc1cc2c(cc1OC)CC(CC1CC[NH+](CCNc3c4ccccc4nc4c3CCCC4)CC1)C2 ZINC000040423656 563142436 /nfs/dbraw/zinc/14/24/36/563142436.db2.gz GQLCFFCJURYPPV-UHFFFAOYSA-N 1 3 499.699 6.060 1 0 JKAFHO CN1CCC[C@@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@@H+]1C ZINC000040763122 563147915 /nfs/dbraw/zinc/14/79/15/563147915.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 1 3 490.051 6.190 1 0 JKAFHO CN1CCC[C@@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@H+]1C ZINC000040763122 563147917 /nfs/dbraw/zinc/14/79/17/563147917.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 1 3 490.051 6.190 1 0 JKAFHO C[C@@H](NCCc1cccc(Cl)c1)C(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000045188391 563174776 /nfs/dbraw/zinc/17/47/76/563174776.db2.gz YWOZOGCMFIUNSD-LEWJYISDSA-N 1 3 498.498 5.916 1 0 JKAFHO c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CNCc4ccc5c(c4)OCO5)cc3)nc2)cc1 ZINC000045191974 563176036 /nfs/dbraw/zinc/17/60/36/563176036.db2.gz RLVUVNOQIPBOJT-UHFFFAOYSA-N 1 3 451.570 5.099 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193490 563176657 /nfs/dbraw/zinc/17/66/57/563176657.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193490 563176658 /nfs/dbraw/zinc/17/66/58/563176658.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193490 563176659 /nfs/dbraw/zinc/17/66/59/563176659.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193490 563176660 /nfs/dbraw/zinc/17/66/60/563176660.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 1 3 493.699 5.665 1 0 JKAFHO CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045227193 563179890 /nfs/dbraw/zinc/17/98/90/563179890.db2.gz UMMYYEXVZULKFI-UHFFFAOYSA-N 1 3 491.463 5.147 1 0 JKAFHO CN(C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)[N@H+](CCc1ccccc1)CC2 ZINC000045303296 563187223 /nfs/dbraw/zinc/18/72/23/563187223.db2.gz FQCWPRLQQZITFX-HZVHRBLSSA-N 1 3 493.522 7.272 1 0 JKAFHO CN(C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)[N@@H+](CCc1ccccc1)CC2 ZINC000045303296 563187224 /nfs/dbraw/zinc/18/72/24/563187224.db2.gz FQCWPRLQQZITFX-HZVHRBLSSA-N 1 3 493.522 7.272 1 0 JKAFHO C[C@H](Cc1ccc(NC(=O)[C@H](C)NCCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045322750 563188681 /nfs/dbraw/zinc/18/86/81/563188681.db2.gz YWOZOGCMFIUNSD-RTWAWAEBSA-N 1 3 498.498 5.916 1 0 JKAFHO CN(C)Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045356885 563192527 /nfs/dbraw/zinc/19/25/27/563192527.db2.gz IRTLDLFAEDDTRD-HSZRJFAPSA-N 1 3 488.613 5.616 1 0 JKAFHO O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC000045372881 563193907 /nfs/dbraw/zinc/19/39/07/563193907.db2.gz CNSYGZOEIHDOQH-HKBQPEDESA-N 1 3 467.657 5.094 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108718 581091152 /nfs/dbraw/zinc/09/11/52/581091152.db2.gz LVRVQELTVCNPQT-USCUKXROSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=N[C@@H]3C=CC=C[C@H]23)CCCC1 ZINC000084541449 581091164 /nfs/dbraw/zinc/09/11/64/581091164.db2.gz PRYRMSLFNNPLDU-RBJSKKJNSA-N 1 3 494.727 7.459 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269343 581091201 /nfs/dbraw/zinc/09/12/01/581091201.db2.gz LVRVQELTVCNPQT-QCVYLVASSA-N 1 3 464.742 6.206 1 0 JKAFHO CCCCC[C@H]1C[C@H]2[C@@H]3N[C@H](C[NH2+]C)CC[C@@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547461 560072366 /nfs/dbraw/zinc/07/23/66/560072366.db2.gz BQBFTNPWAVYULJ-OKFAVWGWSA-N 1 3 496.780 5.044 1 0 biogenic,in-vitro JKAFHO c1cc(-c2ccc(C3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)oc1-c1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000006040283 562936550 /nfs/dbraw/zinc/93/65/50/562936550.db2.gz ZGJGWFQQOVEGLB-POYMRFPPSA-N 1 3 464.613 5.936 1 0 JKAFHO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026393522 563027325 /nfs/dbraw/zinc/02/73/25/563027325.db2.gz WQJGOAVTBXSUMW-AREMUKBSSA-N 1 3 486.704 6.612 1 0 JKAFHO COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(CC[NH3+])cc2)ccc1CN1CCCC1 ZINC000027870426 563052396 /nfs/dbraw/zinc/05/23/96/563052396.db2.gz LHTKTQNAKFPACM-UHFFFAOYSA-N 1 3 472.654 5.970 1 0 JKAFHO CCNC(=O)c1ccc(C(c2cccc(C[NH3+])c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028397910 563063998 /nfs/dbraw/zinc/06/39/98/563063998.db2.gz DFULXWMDDNTBGP-MKPDMIMOSA-N 1 3 455.602 5.117 1 0 JKAFHO COc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520432 563066150 /nfs/dbraw/zinc/06/61/50/563066150.db2.gz JDANRXAKCVSJHD-HHHXNRCGSA-N 1 3 489.626 5.538 1 0 JKAFHO COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520434 563066253 /nfs/dbraw/zinc/06/62/53/563066253.db2.gz JDANRXAKCVSJHD-MHZLTWQESA-N 1 3 489.626 5.538 1 0 JKAFHO COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522930 563066614 /nfs/dbraw/zinc/06/66/14/563066614.db2.gz FDSAKRKDLPNMLT-PMERELPUSA-N 1 3 477.737 5.816 1 0 JKAFHO FC(F)(F)c1ccc([C@@H](C[NH2+]CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523049 563066678 /nfs/dbraw/zinc/06/66/78/563066678.db2.gz BRYYHLGRUGDGBG-AREMUKBSSA-N 1 3 459.600 5.529 1 0 JKAFHO COc1ccc([C@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523127 563066694 /nfs/dbraw/zinc/06/66/94/563066694.db2.gz NRNLTIJPSVVKQO-MHZLTWQESA-N 1 3 489.626 5.538 1 0 JKAFHO Cc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523732 563067003 /nfs/dbraw/zinc/06/70/03/563067003.db2.gz RNQHDIZVKYTQNH-MHZLTWQESA-N 1 3 473.627 5.838 1 0 JKAFHO COc1ccccc1CC[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028523997 563067039 /nfs/dbraw/zinc/06/70/39/563067039.db2.gz GKLOYHIRKOCPMO-AREMUKBSSA-N 1 3 489.626 5.538 1 0 JKAFHO C[NH+]1CCC([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645905 563073221 /nfs/dbraw/zinc/07/32/21/563073221.db2.gz RWOYIJLZFRIMKP-JGCGQSQUSA-N 1 3 487.707 6.045 1 0 JKAFHO CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827082 563082856 /nfs/dbraw/zinc/08/28/56/563082856.db2.gz UCIGGFFPBMFKPO-MHZLTWQESA-N 1 3 459.659 6.159 1 0 JKAFHO CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827082 563082857 /nfs/dbraw/zinc/08/28/57/563082857.db2.gz UCIGGFFPBMFKPO-MHZLTWQESA-N 1 3 459.659 6.159 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893113 563085314 /nfs/dbraw/zinc/08/53/14/563085314.db2.gz NZPOPKFDIKJIRC-XMMPIXPASA-N 1 3 450.520 5.486 1 0 JKAFHO Fc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3c([nH+]c4ccccc42)CCC3)CCC1 ZINC000028968523 563089571 /nfs/dbraw/zinc/08/95/71/563089571.db2.gz VHKNBFAMCSGHDA-UHFFFAOYSA-N 1 3 482.647 7.374 1 0 JKAFHO CCCC[NH+](CCCC)CCCNc1nc(NC2CC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038783 563091017 /nfs/dbraw/zinc/09/10/17/563091017.db2.gz WLTOXZGISGTDQK-UHFFFAOYSA-N 1 3 469.722 5.531 1 0 JKAFHO CCOc1ccc(Nc2nc3ccc(Cl)cc3c(NCC[NH+](CC)CC)n2)cc1CN1CCCC1 ZINC000029203219 563098214 /nfs/dbraw/zinc/09/82/14/563098214.db2.gz UKFLMICXBONFQP-UHFFFAOYSA-N 1 3 497.087 5.775 1 0 JKAFHO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@H]3CCCc4c(Cl)cccc43)CC2)C1=O ZINC000040892429 563153365 /nfs/dbraw/zinc/15/33/65/563153365.db2.gz ZMEBBPWUVGTYBO-MHZLTWQESA-N 1 3 495.111 5.248 1 0 JKAFHO Clc1ccc2c(c1)nccc2Nc1ccc(C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000040934215 563157318 /nfs/dbraw/zinc/15/73/18/563157318.db2.gz SXCHZJZOCXBKIN-AFMDSPMNSA-N 1 3 469.460 6.639 1 0 JKAFHO COc1ccc2nccc(N[C@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000040975753 563161935 /nfs/dbraw/zinc/16/19/35/563161935.db2.gz ZPQCQSBWSHMMGA-NDEPHWFRSA-N 1 3 458.005 6.694 1 0 JKAFHO CCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3cccs3)C(=O)C3CCN(C)CC3)cc2)nc1 ZINC000045167237 563172963 /nfs/dbraw/zinc/17/29/63/563172963.db2.gz PAOKHTXRNQRILR-UHFFFAOYSA-N 1 3 476.690 5.180 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc21 ZINC000045169029 563174052 /nfs/dbraw/zinc/17/40/52/563174052.db2.gz WLOQFWUAZAHZQK-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)cc3)[nH]c21 ZINC000045169029 563174053 /nfs/dbraw/zinc/17/40/53/563174053.db2.gz WLOQFWUAZAHZQK-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO C[C@H](Cc1ccc(NC(=O)[C@@H](C)NCCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045188388 563174831 /nfs/dbraw/zinc/17/48/31/563174831.db2.gz YWOZOGCMFIUNSD-NHCUHLMSSA-N 1 3 498.498 5.916 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227195 563179960 /nfs/dbraw/zinc/17/99/60/563179960.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227195 563179961 /nfs/dbraw/zinc/17/99/61/563179961.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227195 563179962 /nfs/dbraw/zinc/17/99/62/563179962.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227195 563179963 /nfs/dbraw/zinc/17/99/63/563179963.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO [NH3+]Cc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045229438 563180794 /nfs/dbraw/zinc/18/07/94/563180794.db2.gz YBVHJEHMTWSBGL-UHFFFAOYSA-N 1 3 492.570 6.726 1 0 JKAFHO CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH+](C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045300410 563185596 /nfs/dbraw/zinc/18/55/96/563185596.db2.gz IAHYHCFVFBNLJM-UHFFFAOYSA-N 1 3 498.715 6.033 1 0 JKAFHO CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CCN(C)C)C(=O)NCCc3ccccc3)c2)cc1 ZINC000045302462 563186385 /nfs/dbraw/zinc/18/63/85/563186385.db2.gz UQGLEEUDVGGSSO-UHFFFAOYSA-N 1 3 486.704 5.415 1 0 JKAFHO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccncc45)cnc3-c3ccoc3)cc12 ZINC000045347222 563191291 /nfs/dbraw/zinc/19/12/91/563191291.db2.gz MFRVBNSUIBWIRX-FQEVSTJZSA-N 1 3 464.529 5.018 1 0 JKAFHO CN(C)Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045356882 563192531 /nfs/dbraw/zinc/19/25/31/563192531.db2.gz IRTLDLFAEDDTRD-QHCPKHFHSA-N 1 3 488.613 5.616 1 0 JKAFHO Clc1cccc(Cl)c1CNC[C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000045391968 563195181 /nfs/dbraw/zinc/19/51/81/563195181.db2.gz AUGSRYPBJRGKTN-HOTGVXAUSA-N 1 3 460.276 6.986 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290522 581091186 /nfs/dbraw/zinc/09/11/86/581091186.db2.gz LVRVQELTVCNPQT-ZDSCYBARSA-N 1 3 464.742 6.206 1 0 JKAFHO O=C(Nc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000013475766 562967036 /nfs/dbraw/zinc/96/70/36/562967036.db2.gz QACIWFUOGVFMLP-UHFFFAOYSA-N 1 3 496.699 5.927 1 0 JKAFHO COC(=O)c1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 ZINC000026665072 563032907 /nfs/dbraw/zinc/03/29/07/563032907.db2.gz QVUSLFAVRYPDRJ-XZWHSSHBSA-N 1 3 468.641 5.568 1 0 JKAFHO COC(=O)c1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 ZINC000026665072 563032909 /nfs/dbraw/zinc/03/29/09/563032909.db2.gz QVUSLFAVRYPDRJ-XZWHSSHBSA-N 1 3 468.641 5.568 1 0 JKAFHO COc1ccccc1CC[NH2+]C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028522330 563066512 /nfs/dbraw/zinc/06/65/12/563066512.db2.gz VFCMCYWFSLNPDX-LJAQVGFWSA-N 1 3 477.737 5.816 1 0 JKAFHO FC(F)(F)c1ccc(CC[NH2+]C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523794 563066970 /nfs/dbraw/zinc/06/69/70/563066970.db2.gz FSYTXZOPGGGBCA-SANMLTNESA-N 1 3 459.600 5.529 1 0 JKAFHO FC(F)(F)c1ccc(CC[NH2+]C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523793 563066998 /nfs/dbraw/zinc/06/69/98/563066998.db2.gz FSYTXZOPGGGBCA-AREMUKBSSA-N 1 3 459.600 5.529 1 0 JKAFHO CCOc1ccc(Nc2nc3cc(Cl)ccc3c(NCC[NH+](CC)CC)n2)cc1CN1CCCC1 ZINC000028771597 563079192 /nfs/dbraw/zinc/07/91/92/563079192.db2.gz XGYKJWXSQMVTGK-UHFFFAOYSA-N 1 3 497.087 5.775 1 0 JKAFHO CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827083 563082915 /nfs/dbraw/zinc/08/29/15/563082915.db2.gz UCIGGFFPBMFKPO-HHHXNRCGSA-N 1 3 459.659 6.159 1 0 JKAFHO CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827083 563082916 /nfs/dbraw/zinc/08/29/16/563082916.db2.gz UCIGGFFPBMFKPO-HHHXNRCGSA-N 1 3 459.659 6.159 1 0 JKAFHO O=[N+]([O-])OCCCCCC[NH2+]CCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000040391163 563137775 /nfs/dbraw/zinc/13/77/75/563137775.db2.gz YLCSZNBZZQPVCZ-UHFFFAOYSA-N 1 3 470.658 6.224 1 0 JKAFHO C[NH+](C)C12C[C@H](c3ccc(Br)cc3)C(NCC1)[C@@H](c1ccc(Br)cc1)C2 ZINC000040412271 563140973 /nfs/dbraw/zinc/14/09/73/563140973.db2.gz KCMUVFXFJMZPSV-JTVPBKEVSA-N 1 3 478.272 5.535 1 0 JKAFHO CN(C)C12C[C@H](c3ccc(Br)cc3)C([NH2+]CC1)[C@@H](c1ccc(Br)cc1)C2 ZINC000040412271 563140974 /nfs/dbraw/zinc/14/09/74/563140974.db2.gz KCMUVFXFJMZPSV-JTVPBKEVSA-N 1 3 478.272 5.535 1 0 JKAFHO Clc1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccc(Cl)c(Cl)c4)C2NCC3)cc1Cl ZINC000040423060 563142143 /nfs/dbraw/zinc/14/21/43/563142143.db2.gz OEHORYKXLYYSMM-RDNZODCXSA-N 1 3 484.298 7.158 1 0 JKAFHO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@@H]3CCCc4ccc(Cl)cc43)CC2)C1=O ZINC000040900872 563154720 /nfs/dbraw/zinc/15/47/20/563154720.db2.gz BEBLFDYTZHKBFQ-HHHXNRCGSA-N 1 3 495.111 5.248 1 0 JKAFHO O=C(CCN1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918280 563156193 /nfs/dbraw/zinc/15/61/93/563156193.db2.gz GDUDWWBGVVFORO-GJTYJFQVSA-N 1 3 486.700 5.990 1 0 JKAFHO NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167398 563173211 /nfs/dbraw/zinc/17/32/11/563173211.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167398 563173212 /nfs/dbraw/zinc/17/32/12/563173212.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186601 563174158 /nfs/dbraw/zinc/17/41/58/563174158.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186601 563174159 /nfs/dbraw/zinc/17/41/59/563174159.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186605 563174187 /nfs/dbraw/zinc/17/41/87/563174187.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186605 563174188 /nfs/dbraw/zinc/17/41/88/563174188.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194225 563177044 /nfs/dbraw/zinc/17/70/44/563177044.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194225 563177045 /nfs/dbraw/zinc/17/70/45/563177045.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194225 563177046 /nfs/dbraw/zinc/17/70/46/563177046.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO C[NH2+]Cc1ccc(-c2cccc(CNCc3ccc(-c4ccccc4)cc3)c2)c(C(=O)OC)c1 ZINC000045194473 563177181 /nfs/dbraw/zinc/17/71/81/563177181.db2.gz LJLCFNPRZMICKJ-UHFFFAOYSA-N 1 3 450.582 5.816 1 0 JKAFHO Clc1ccc2c(c1)nccc2NCC[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000045253401 563182115 /nfs/dbraw/zinc/18/21/15/563182115.db2.gz LBTJLFKYCHTDET-UHFFFAOYSA-N 1 3 459.037 5.982 1 0 JKAFHO C[C@@H](Cc1ccc(NC(=O)[C@H](C)NCCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045322753 563188675 /nfs/dbraw/zinc/18/86/75/563188675.db2.gz YWOZOGCMFIUNSD-SFTDATJTSA-N 1 3 498.498 5.916 1 0 JKAFHO CNCc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045365762 563192958 /nfs/dbraw/zinc/19/29/58/563192958.db2.gz ANMPAJKPHPHBMW-QFIPXVFZSA-N 1 3 474.586 5.274 1 0 JKAFHO NCc1ccccc1NC(=O)OC[C@@H](Oc1cc(F)cc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045367944 563193336 /nfs/dbraw/zinc/19/33/36/563193336.db2.gz DDPUNJKAKZZDPA-OAQYLSRUSA-N 1 3 478.549 5.152 1 0 JKAFHO NCc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045368423 563193431 /nfs/dbraw/zinc/19/34/31/563193431.db2.gz FAKOUAJYWRNFEF-NRFANRHFSA-N 1 3 460.559 5.013 1 0 JKAFHO C[N@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccccc2nc2c1CCCC2 ZINC000006744683 562938255 /nfs/dbraw/zinc/93/82/55/562938255.db2.gz YIFIESCJSCAHBP-UHFFFAOYSA-N 1 3 497.687 5.468 1 0 JKAFHO C[N@@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccccc2nc2c1CCCC2 ZINC000006744683 562938256 /nfs/dbraw/zinc/93/82/56/562938256.db2.gz YIFIESCJSCAHBP-UHFFFAOYSA-N 1 3 497.687 5.468 1 0 JKAFHO CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000013099111 562961225 /nfs/dbraw/zinc/96/12/25/562961225.db2.gz JRVWIILYWSBUMC-NDKONCKKSA-N 1 3 475.633 5.113 3 0 JKAFHO c1ccc2c(c1)nc1c(c2NCCCCc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000013472679 562966001 /nfs/dbraw/zinc/96/60/01/562966001.db2.gz BLTJGVWWJCNJJL-UHFFFAOYSA-N 1 3 471.689 6.803 1 0 JKAFHO c1ccc2c(c1)nc1c(c2NCCCc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000013472677 562966017 /nfs/dbraw/zinc/96/60/17/562966017.db2.gz RUKMQESGYBPCTL-UHFFFAOYSA-N 1 3 457.662 6.413 1 0 JKAFHO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026394826 563027272 /nfs/dbraw/zinc/02/72/72/563027272.db2.gz JNRXDGPUJNZCAR-DEOSSOPVSA-N 1 3 458.650 5.832 1 0 JKAFHO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000026395709 563027342 /nfs/dbraw/zinc/02/73/42/563027342.db2.gz VMWJYELDLWZZHX-VWLOTQADSA-N 1 3 472.677 6.222 1 0 JKAFHO CCCC[NH+](CCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027638038 563047904 /nfs/dbraw/zinc/04/79/04/563047904.db2.gz FVWVRVNTEAFOPI-UHFFFAOYSA-N 1 3 474.137 5.600 1 0 JKAFHO CN(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028477915 563066126 /nfs/dbraw/zinc/06/61/26/563066126.db2.gz VKFKASXHWNMPCH-WJOKGBTCSA-N 1 3 490.780 5.874 1 0 JKAFHO COc1ccc([C@@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523126 563066704 /nfs/dbraw/zinc/06/67/04/563066704.db2.gz NRNLTIJPSVVKQO-HHHXNRCGSA-N 1 3 489.626 5.538 1 0 JKAFHO COc1ccc([C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523972 563067083 /nfs/dbraw/zinc/06/70/83/563067083.db2.gz IVBOWJNCCCSGMB-HHHXNRCGSA-N 1 3 490.519 5.826 1 0 JKAFHO Cc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646216 563073332 /nfs/dbraw/zinc/07/33/32/563073332.db2.gz XZBKLRRYJOUOQG-YTTGMZPUSA-N 1 3 484.732 5.077 1 0 JKAFHO [NH3+]Cc1ccc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650275 563073788 /nfs/dbraw/zinc/07/37/88/563073788.db2.gz HRWGQZJKGXMOQB-LJQANCHMSA-N 1 3 477.049 5.565 1 0 JKAFHO CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827078 563082870 /nfs/dbraw/zinc/08/28/70/563082870.db2.gz XCHACIZNQYTKBT-LJAQVGFWSA-N 1 3 458.671 6.764 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893108 563085269 /nfs/dbraw/zinc/08/52/69/563085269.db2.gz NZPOPKFDIKJIRC-DEOSSOPVSA-N 1 3 450.520 5.486 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893098 563085281 /nfs/dbraw/zinc/08/52/81/563085281.db2.gz OCBPATCVPDEFSN-DEOSSOPVSA-N 1 3 450.520 5.486 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893158 563085391 /nfs/dbraw/zinc/08/53/91/563085391.db2.gz FYQWSOGFMUPHGU-XMMPIXPASA-N 1 3 482.587 6.079 1 0 JKAFHO CC[NH+](CC)CCCNc1nc(NCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038883 563090900 /nfs/dbraw/zinc/09/09/00/563090900.db2.gz UOZHEMKUINGVFA-UHFFFAOYSA-N 1 3 477.701 5.051 1 0 JKAFHO CCCC[NH+](CCCC)CCCNc1nc(NC2CCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038794 563090907 /nfs/dbraw/zinc/09/09/07/563090907.db2.gz AZUSHNULULIKPP-UHFFFAOYSA-N 1 3 497.776 6.311 1 0 JKAFHO CC[NH+](CC)CCCNc1nc(NCCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038886 563090962 /nfs/dbraw/zinc/09/09/62/563090962.db2.gz GKMMLRLXUSQSNR-UHFFFAOYSA-N 1 3 491.728 5.441 1 0 JKAFHO CC[NH+](CC)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039265 563091080 /nfs/dbraw/zinc/09/10/80/563091080.db2.gz KSCHHSCJWLQKMS-UHFFFAOYSA-N 1 3 469.722 5.531 1 0 JKAFHO Clc1ccc2c(c1)nccc2NCCCC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000029401265 563102613 /nfs/dbraw/zinc/10/26/13/563102613.db2.gz IZAOGUQHYZMRFE-UHFFFAOYSA-N 1 3 468.432 6.374 1 0 JKAFHO C[NH+](C)C12C[C@H](c3ccc(C(F)(F)F)cc3)C(NCC1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410750 563140719 /nfs/dbraw/zinc/14/07/19/563140719.db2.gz QKGJLIUAQXCLNM-JTVPBKEVSA-N 1 3 456.474 6.048 1 0 JKAFHO CN(C)C12C[C@H](c3ccc(C(F)(F)F)cc3)C([NH2+]CC1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410750 563140721 /nfs/dbraw/zinc/14/07/21/563140721.db2.gz QKGJLIUAQXCLNM-JTVPBKEVSA-N 1 3 456.474 6.048 1 0 JKAFHO C[NH+](C)C12C[C@@H](c3ccc(Br)cc3)C(NCC1)[C@H](c1ccc(Br)cc1)C2 ZINC000040412265 563140976 /nfs/dbraw/zinc/14/09/76/563140976.db2.gz KCMUVFXFJMZPSV-PHZLKFDYSA-N 1 3 478.272 5.535 1 0 JKAFHO CN(C)C12C[C@@H](c3ccc(Br)cc3)C([NH2+]CC1)[C@H](c1ccc(Br)cc1)C2 ZINC000040412265 563140977 /nfs/dbraw/zinc/14/09/77/563140977.db2.gz KCMUVFXFJMZPSV-PHZLKFDYSA-N 1 3 478.272 5.535 1 0 JKAFHO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@@H]3CCCc4c(Cl)cccc43)CC2)C1=O ZINC000040892427 563153369 /nfs/dbraw/zinc/15/33/69/563153369.db2.gz ZMEBBPWUVGTYBO-HHHXNRCGSA-N 1 3 495.111 5.248 1 0 JKAFHO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@H]3CCCc4ccc(Cl)cc43)CC2)C1=O ZINC000040900875 563154718 /nfs/dbraw/zinc/15/47/18/563154718.db2.gz BEBLFDYTZHKBFQ-MHZLTWQESA-N 1 3 495.111 5.248 1 0 JKAFHO O=C(CCN1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040918279 563156171 /nfs/dbraw/zinc/15/61/71/563156171.db2.gz GDUDWWBGVVFORO-ZIQMFUFLSA-N 1 3 486.700 5.990 1 0 JKAFHO CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000042851406 563162911 /nfs/dbraw/zinc/16/29/11/563162911.db2.gz DDLNRLXMPCNPAF-STHLYLOOSA-N 1 3 455.731 5.080 1 0 JKAFHO CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000042851406 563162913 /nfs/dbraw/zinc/16/29/13/563162913.db2.gz DDLNRLXMPCNPAF-STHLYLOOSA-N 1 3 455.731 5.080 1 0 JKAFHO C[NH+](C)C12C[C@@H](c3ccc(Cl)c(Cl)c3)C(NCC1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878470 563163215 /nfs/dbraw/zinc/16/32/15/563163215.db2.gz XQXDLYHIFUDHML-TUKZGULFSA-N 1 3 458.260 6.624 1 0 JKAFHO CN(C)C12C[C@@H](c3ccc(Cl)c(Cl)c3)C([NH2+]CC1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878470 563163216 /nfs/dbraw/zinc/16/32/16/563163216.db2.gz XQXDLYHIFUDHML-TUKZGULFSA-N 1 3 458.260 6.624 1 0 JKAFHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000044352332 563172197 /nfs/dbraw/zinc/17/21/97/563172197.db2.gz DDLNRLXMPCNPAF-IQPILQITSA-N 1 3 455.731 5.080 1 0 JKAFHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000044352332 563172198 /nfs/dbraw/zinc/17/21/98/563172198.db2.gz DDLNRLXMPCNPAF-IQPILQITSA-N 1 3 455.731 5.080 1 0 JKAFHO NC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167400 563173169 /nfs/dbraw/zinc/17/31/69/563173169.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167400 563173170 /nfs/dbraw/zinc/17/31/70/563173170.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO c1ccc(CN2CCC([NH2+]Cc3ccc(-c4ccc(CNCc5cccnc5)cn4)cc3)CC2)cc1 ZINC000045194148 563177053 /nfs/dbraw/zinc/17/70/53/563177053.db2.gz DPQOVSNTZUKWAR-UHFFFAOYSA-N 1 3 477.656 5.188 1 0 JKAFHO c1ccc(C[NH+]2CCC(NCc3ccc(-c4ccc(CNCc5cccnc5)cn4)cc3)CC2)cc1 ZINC000045194148 563177054 /nfs/dbraw/zinc/17/70/54/563177054.db2.gz DPQOVSNTZUKWAR-UHFFFAOYSA-N 1 3 477.656 5.188 1 0 JKAFHO C[N@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202339 563178751 /nfs/dbraw/zinc/17/87/51/563178751.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 1 3 450.026 5.396 1 0 JKAFHO C[N@@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202339 563178753 /nfs/dbraw/zinc/17/87/53/563178753.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 1 3 450.026 5.396 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C6CC[NH+](C)CC6)CC5)cc4)cc3)nc21 ZINC000045229237 563180716 /nfs/dbraw/zinc/18/07/16/563180716.db2.gz SKDZAENUJSVDRZ-UHFFFAOYSA-N 1 3 479.672 5.417 1 0 JKAFHO CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH3+])c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045300127 563185427 /nfs/dbraw/zinc/18/54/27/563185427.db2.gz KMOVKNBFJZPRBZ-UHFFFAOYSA-N 1 3 470.661 5.430 1 0 JKAFHO C[C@H](Cc1ccc(NC(=O)CCNCc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045324397 563189119 /nfs/dbraw/zinc/18/91/19/563189119.db2.gz AREULUURAKTRQW-OAQYLSRUSA-N 1 3 450.026 5.222 1 0 JKAFHO c1ccc(CC[NH2+]Cc2cccc(-c3ccccc3CNCc3ccc4c(c3)OCO4)c2)nc1 ZINC000045335206 563189873 /nfs/dbraw/zinc/18/98/73/563189873.db2.gz OMINIWXVQVXEEY-UHFFFAOYSA-N 1 3 451.570 5.099 1 0 JKAFHO CNCc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045365765 563193008 /nfs/dbraw/zinc/19/30/08/563193008.db2.gz ANMPAJKPHPHBMW-JOCHJYFZSA-N 1 3 474.586 5.274 1 0 JKAFHO c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108708 581091209 /nfs/dbraw/zinc/09/12/09/581091209.db2.gz LVRVQELTVCNPQT-HTZSSYRZSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108695 581091214 /nfs/dbraw/zinc/09/12/14/581091214.db2.gz LVRVQELTVCNPQT-UMDVNSCSSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc(CCCC2CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000003921838 562929875 /nfs/dbraw/zinc/92/98/75/562929875.db2.gz JWSRHFLPBLYQPA-AJQTZOPKSA-N 1 3 458.734 7.017 1 0 JKAFHO c1ccc(CCCC2CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000003921838 562929877 /nfs/dbraw/zinc/92/98/77/562929877.db2.gz JWSRHFLPBLYQPA-AJQTZOPKSA-N 1 3 458.734 7.017 1 0 JKAFHO Cc1c(-c2cccc(SCCN(C)C)c2)ncnc1-c1cccc(SCC[NH+](C)C)c1 ZINC000013649266 562980958 /nfs/dbraw/zinc/98/09/58/562980958.db2.gz YORNPMGHYUTOAQ-UHFFFAOYSA-N 1 3 452.693 5.426 1 0 JKAFHO c1ccc2c(c1)nccc2NCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013801268 562994116 /nfs/dbraw/zinc/99/41/16/562994116.db2.gz NPGXFJUCABRJKY-UHFFFAOYSA-N 1 3 466.673 7.917 1 0 JKAFHO Clc1ccc(C[NH2+]CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000027642656 563048121 /nfs/dbraw/zinc/04/81/21/563048121.db2.gz IMZAFTCPLSACKI-UHFFFAOYSA-N 1 3 486.491 5.141 1 0 JKAFHO Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCCN3Cc4ccccc4C3)c2cc1Cl ZINC000028230454 563058251 /nfs/dbraw/zinc/05/82/51/563058251.db2.gz IOWKNHCETIJJCO-UHFFFAOYSA-N 1 3 457.449 5.996 1 0 JKAFHO CN(C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)c1ccccc1 ZINC000028395765 563063894 /nfs/dbraw/zinc/06/38/94/563063894.db2.gz YUTVTLZRVPZLTH-UHFFFAOYSA-N 1 3 491.679 5.890 1 0 JKAFHO COc1ccc([C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520417 563066158 /nfs/dbraw/zinc/06/61/58/563066158.db2.gz YIAJMZYNKVFSCV-SSEXGKCCSA-N 1 3 477.737 5.816 1 0 JKAFHO COc1ccccc1CC[NH2+]C[C@H](c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028522328 563066546 /nfs/dbraw/zinc/06/65/46/563066546.db2.gz VFCMCYWFSLNPDX-GDLZYMKVSA-N 1 3 477.737 5.816 1 0 JKAFHO Cc1cc(C)cc(CC[NH2+]C[C@@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522394 563066551 /nfs/dbraw/zinc/06/65/51/563066551.db2.gz JYXNBOOVPKYADN-UMSFTDKQSA-N 1 3 495.755 6.794 1 0 JKAFHO COc1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522929 563066599 /nfs/dbraw/zinc/06/65/99/563066599.db2.gz FDSAKRKDLPNMLT-SSEXGKCCSA-N 1 3 477.737 5.816 1 0 JKAFHO COc1ccccc1[C@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523638 563066842 /nfs/dbraw/zinc/06/68/42/563066842.db2.gz VMFHCPVQZNTAEM-SANMLTNESA-N 1 3 490.519 5.826 1 0 JKAFHO C[NH+]1CCC([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645902 563073248 /nfs/dbraw/zinc/07/32/48/563073248.db2.gz RWOYIJLZFRIMKP-YTTGMZPUSA-N 1 3 487.707 6.045 1 0 JKAFHO CSc1ccc([C@@H]2CN(C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827066 563082735 /nfs/dbraw/zinc/08/27/35/563082735.db2.gz RDBZJBIXPLABFL-MHZLTWQESA-N 1 3 458.671 6.764 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893153 563085382 /nfs/dbraw/zinc/08/53/82/563085382.db2.gz FYQWSOGFMUPHGU-DEOSSOPVSA-N 1 3 482.587 6.079 1 0 JKAFHO C[N@@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038932 563090871 /nfs/dbraw/zinc/09/08/71/563090871.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 1 3 467.706 5.283 1 0 JKAFHO C[N@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038932 563090872 /nfs/dbraw/zinc/09/08/72/563090872.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 1 3 467.706 5.283 1 0 JKAFHO O=C(CCN1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040406287 563140113 /nfs/dbraw/zinc/14/01/13/563140113.db2.gz XAESOWVAGRAFQT-ABQAWVCCSA-N 1 3 472.673 5.600 1 0 JKAFHO CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040406450 563140151 /nfs/dbraw/zinc/14/01/51/563140151.db2.gz VOSNJKFVBDSLTN-NDEPHWFRSA-N 1 3 486.704 5.036 1 0 JKAFHO O=C(CCN1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040406284 563140154 /nfs/dbraw/zinc/14/01/54/563140154.db2.gz XAESOWVAGRAFQT-KVSLOUQESA-N 1 3 472.673 5.600 1 0 JKAFHO O=C(CCN1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040917084 563155781 /nfs/dbraw/zinc/15/57/81/563155781.db2.gz LHTXFIFFOCCAJJ-ZIQMFUFLSA-N 1 3 486.700 5.990 1 0 JKAFHO CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCN(C)C)C(=O)Nc3ccccc3)c2)c1 ZINC000045191803 563176020 /nfs/dbraw/zinc/17/60/20/563176020.db2.gz TWEGEQDEUOFTQR-UHFFFAOYSA-N 1 3 458.650 5.695 1 0 JKAFHO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045210443 563179368 /nfs/dbraw/zinc/17/93/68/563179368.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210443 563179369 /nfs/dbraw/zinc/17/93/69/563179369.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210443 563179370 /nfs/dbraw/zinc/17/93/70/563179370.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 1 3 450.508 5.839 1 0 JKAFHO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045210439 563179403 /nfs/dbraw/zinc/17/94/03/563179403.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210439 563179404 /nfs/dbraw/zinc/17/94/04/563179404.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO NC[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210439 563179405 /nfs/dbraw/zinc/17/94/05/563179405.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 1 3 450.508 5.839 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227198 563179908 /nfs/dbraw/zinc/17/99/08/563179908.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227198 563179909 /nfs/dbraw/zinc/17/99/09/563179909.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227198 563179910 /nfs/dbraw/zinc/17/99/10/563179910.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227198 563179911 /nfs/dbraw/zinc/17/99/11/563179911.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 1 3 499.728 5.726 1 0 JKAFHO NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228200 563180453 /nfs/dbraw/zinc/18/04/53/563180453.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 1 3 456.537 5.900 1 0 JKAFHO NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228200 563180454 /nfs/dbraw/zinc/18/04/54/563180454.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 1 3 456.537 5.900 1 0 JKAFHO CC1(C)CC([NH2+]CCCCCCCOc2ccc(OCc3ccccc3)cc2)CC(C)(C)N1 ZINC000045301790 563185900 /nfs/dbraw/zinc/18/59/00/563185900.db2.gz QXDKCSUUUUNGJO-UHFFFAOYSA-N 1 3 452.683 6.494 1 0 JKAFHO C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](OC(=O)CCN1CCCCC1)C2 ZINC000059275640 563208994 /nfs/dbraw/zinc/20/89/94/563208994.db2.gz UPRJRCVAPDDNFX-JQUSUITLSA-N 1 3 460.662 5.456 1 0 JKAFHO c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@H]2CCCC[C@H]12 ZINC000101269334 581091113 /nfs/dbraw/zinc/09/11/13/581091113.db2.gz LVRVQELTVCNPQT-QIBGPLTASA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290520 581091181 /nfs/dbraw/zinc/09/11/81/581091181.db2.gz LVRVQELTVCNPQT-FLKHEUMLSA-N 1 3 464.742 6.206 1 0 JKAFHO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=N[C@H]3C=CC=C[C@H]23)CCCC1 ZINC000084541448 581091221 /nfs/dbraw/zinc/09/12/21/581091221.db2.gz PRYRMSLFNNPLDU-CUBQBAPOSA-N 1 3 494.727 7.459 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@H]2CCCC[C@@H]12 ZINC000299807091 581091193 /nfs/dbraw/zinc/09/11/93/581091193.db2.gz LVRVQELTVCNPQT-GOJGNYKUSA-N 1 3 464.742 6.206 1 0 JKAFHO CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000008034758 562938681 /nfs/dbraw/zinc/93/86/81/562938681.db2.gz JRVWIILYWSBUMC-IPFQZCJUSA-N 1 3 475.633 5.113 1 0 JKAFHO c1ccc2c(c1)sc(-c1ccc(OCCN3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000013557710 562973957 /nfs/dbraw/zinc/97/39/57/562973957.db2.gz ZOMNEWWETGFMKD-UHFFFAOYSA-N 1 3 496.720 7.230 1 0 JKAFHO Cc1cc(NCCCCCCCCCCCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2n1 ZINC000013745683 562988063 /nfs/dbraw/zinc/98/80/63/562988063.db2.gz SZFFQURWWSGOFY-UHFFFAOYSA-N 1 3 482.716 8.825 1 0 JKAFHO CC(C)C[NH+](CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC(C)C ZINC000022453618 563017021 /nfs/dbraw/zinc/01/70/21/563017021.db2.gz RTSKTPQYRVOCCD-UHFFFAOYSA-N 1 3 474.137 5.312 1 0 JKAFHO CCCN(CCCCCC[N@H+](CCC)CCc1cccnc1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027642196 563048099 /nfs/dbraw/zinc/04/80/99/563048099.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 1 3 487.754 5.255 1 0 JKAFHO CCCN(CCCCCC[N@@H+](CCC)CCc1cccnc1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027642196 563048100 /nfs/dbraw/zinc/04/81/00/563048100.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 1 3 487.754 5.255 1 0 JKAFHO [NH3+]CCCCN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000027707306 563049637 /nfs/dbraw/zinc/04/96/37/563049637.db2.gz QFBUNLSICWAADB-UHFFFAOYSA-N 1 3 480.652 6.586 1 0 JKAFHO COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH3+])cc2)ccc1CN1CCCC1 ZINC000027866167 563052312 /nfs/dbraw/zinc/05/23/12/563052312.db2.gz SXXJMVHEIAMOJX-UHFFFAOYSA-N 1 3 488.653 5.807 1 0 JKAFHO COc1ccc([C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520419 563066136 /nfs/dbraw/zinc/06/61/36/563066136.db2.gz YIAJMZYNKVFSCV-PMERELPUSA-N 1 3 477.737 5.816 1 0 JKAFHO Fc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028478120 563066140 /nfs/dbraw/zinc/06/61/40/563066140.db2.gz OAXHARGKPSNZFZ-AREMUKBSSA-N 1 3 477.590 5.668 1 0 JKAFHO CN(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028477918 563066154 /nfs/dbraw/zinc/06/61/54/563066154.db2.gz VKFKASXHWNMPCH-HKBQPEDESA-N 1 3 490.780 5.874 1 0 JKAFHO Fc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028478123 563066171 /nfs/dbraw/zinc/06/61/71/563066171.db2.gz OAXHARGKPSNZFZ-SANMLTNESA-N 1 3 477.590 5.668 1 0 JKAFHO Cc1cc(C)cc(CC[NH2+]C[C@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522392 563066494 /nfs/dbraw/zinc/06/64/94/563066494.db2.gz JYXNBOOVPKYADN-UUWRZZSWSA-N 1 3 495.755 6.794 1 0 JKAFHO N[C@H](CC(=O)N(CCCCc1ccc(CCCC[NH3+])s1)Cc1ccccc1)Cc1ccccc1 ZINC000028652666 563074099 /nfs/dbraw/zinc/07/40/99/563074099.db2.gz FQHZJRCJBOKTHW-SANMLTNESA-N 1 3 477.718 5.341 1 0 JKAFHO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893102 563085261 /nfs/dbraw/zinc/08/52/61/563085261.db2.gz OCBPATCVPDEFSN-XMMPIXPASA-N 1 3 450.520 5.486 1 0 JKAFHO CC(C)(C)C1CCC(C2=NCCc3ccc([C@H]4C[C@@H]4c4ccc5cc(C(N)=[NH2+])ccc5c4)cc32)CC1 ZINC000028975670 563090079 /nfs/dbraw/zinc/09/00/79/563090079.db2.gz ZQVVKXRLPHFVOG-KZKJCFSASA-N 1 3 477.696 7.593 1 0 JKAFHO C[NH+](C)C12C[C@@H](c3ccc(C(F)(F)F)cc3)C(NCC1)[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410744 563140675 /nfs/dbraw/zinc/14/06/75/563140675.db2.gz QKGJLIUAQXCLNM-PHZLKFDYSA-N 1 3 456.474 6.048 1 0 JKAFHO CN(C)C12C[C@@H](c3ccc(C(F)(F)F)cc3)C([NH2+]CC1)[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410744 563140677 /nfs/dbraw/zinc/14/06/77/563140677.db2.gz QKGJLIUAQXCLNM-PHZLKFDYSA-N 1 3 456.474 6.048 1 0 JKAFHO O=C(CCN1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040917085 563155769 /nfs/dbraw/zinc/15/57/69/563155769.db2.gz LHTXFIFFOCCAJJ-GJTYJFQVSA-N 1 3 486.700 5.990 1 0 JKAFHO COc1ccc2nccc(N[C@@H](c3ccc(C[NH+]4CCCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040956289 563160958 /nfs/dbraw/zinc/16/09/58/563160958.db2.gz HMDSKOMZQUURRP-NDEPHWFRSA-N 1 3 458.005 6.694 1 0 JKAFHO OCCN1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000042888714 563163386 /nfs/dbraw/zinc/16/33/86/563163386.db2.gz NZNNRENEJFJEFS-SJWXKMTISA-N 1 3 473.488 5.946 1 0 JKAFHO c1sc(-c2nc3ccccc3[nH]2)cc1-c1cccc(CN2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000045168167 563173618 /nfs/dbraw/zinc/17/36/18/563173618.db2.gz TZNHACOUSJIJOB-UHFFFAOYSA-N 1 3 484.713 7.046 1 0 JKAFHO Cc1cccc2[nH]c(-c3cccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc21 ZINC000045229216 563180668 /nfs/dbraw/zinc/18/06/68/563180668.db2.gz ZTFCTCDBRZXDBQ-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO Cc1cccc2nc(-c3cccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)c3)[nH]c21 ZINC000045229216 563180669 /nfs/dbraw/zinc/18/06/69/563180669.db2.gz ZTFCTCDBRZXDBQ-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH2+]C)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045284518 563183709 /nfs/dbraw/zinc/18/37/09/563183709.db2.gz UQEOWNUYEQULCL-UHFFFAOYSA-N 1 3 484.688 5.691 1 0 JKAFHO CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CCN(C)C)C(=O)CCC3CCCC3)c2)cc1 ZINC000045334862 563189781 /nfs/dbraw/zinc/18/97/81/563189781.db2.gz CMMCSLSDIJDJHG-UHFFFAOYSA-N 1 3 463.710 5.960 1 0 JKAFHO C[N@@H+]1CC[C@@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189938 /nfs/dbraw/zinc/18/99/38/563189938.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 1 3 498.454 5.234 1 0 JKAFHO C[N@H+]1CC[C@@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189939 /nfs/dbraw/zinc/18/99/39/563189939.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 1 3 498.454 5.234 1 0 JKAFHO C(=C(c1cccs1)c1cccs1)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045365981 563193060 /nfs/dbraw/zinc/19/30/60/563193060.db2.gz LUDIDJZIYUEUKH-UHFFFAOYSA-N 1 3 470.707 7.153 1 0 JKAFHO NCc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045368420 563193434 /nfs/dbraw/zinc/19/34/34/563193434.db2.gz FAKOUAJYWRNFEF-OAQYLSRUSA-N 1 3 460.559 5.013 1 0 JKAFHO Clc1cccc(Cl)c1CNC[C@@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000045391972 563195205 /nfs/dbraw/zinc/19/52/05/563195205.db2.gz AUGSRYPBJRGKTN-HZPDHXFCSA-N 1 3 460.276 6.986 1 0 JKAFHO Clc1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccc(Cl)c(Cl)c4)C2NCC3)cc1Cl ZINC000045498170 563196193 /nfs/dbraw/zinc/19/61/93/563196193.db2.gz MNNWEZCFQBFYRP-DLKVDTICSA-N 1 3 498.325 7.548 1 0 JKAFHO c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CCN[C@H]2CCCC[C@H]12 ZINC000101269335 581091149 /nfs/dbraw/zinc/09/11/49/581091149.db2.gz LVRVQELTVCNPQT-YASYBEMDSA-N 1 3 464.742 6.206 1 0 JKAFHO CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000013099112 562961275 /nfs/dbraw/zinc/96/12/75/562961275.db2.gz JRVWIILYWSBUMC-CMWZJFIZSA-N 1 3 475.633 5.113 1 0 JKAFHO [NH3+]CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000013557711 562973939 /nfs/dbraw/zinc/97/39/39/562973939.db2.gz QIWBRBIMBBWQOS-UHFFFAOYSA-N 1 3 472.654 5.971 1 0 JKAFHO CCC(=O)N(CCCCCCCCCCCCNC(N)=[NH2+])C1CCN(CCc2ccccc2)CC1 ZINC000013588989 562977848 /nfs/dbraw/zinc/97/78/48/562977848.db2.gz VVEBDJNZNHXLME-UHFFFAOYSA-N 1 3 485.761 5.316 1 0 JKAFHO Cc1c(-c2ccc(SCCN(C)C)cc2)ncnc1-c1ccc(SCC[NH+](C)C)cc1 ZINC000013649264 562980926 /nfs/dbraw/zinc/98/09/26/562980926.db2.gz TWJUYELWUWEQNE-UHFFFAOYSA-N 1 3 452.693 5.426 1 0 JKAFHO [NH3+]CCCCCN1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000014962026 563008451 /nfs/dbraw/zinc/00/84/51/563008451.db2.gz PZHWVACDFBHKQI-UHFFFAOYSA-N 1 3 492.667 6.010 1 0 JKAFHO FC(F)(F)c1ccc([C@H](C[NH2+]CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523050 563066698 /nfs/dbraw/zinc/06/66/98/563066698.db2.gz BRYYHLGRUGDGBG-SANMLTNESA-N 1 3 459.600 5.529 1 0 JKAFHO COc1ccc([C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523973 563067053 /nfs/dbraw/zinc/06/70/53/563067053.db2.gz IVBOWJNCCCSGMB-MHZLTWQESA-N 1 3 490.519 5.826 1 0 JKAFHO Cc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646219 563073312 /nfs/dbraw/zinc/07/33/12/563073312.db2.gz XZBKLRRYJOUOQG-JGCGQSQUSA-N 1 3 484.732 5.077 1 0 JKAFHO COC(=O)C[C@H]1c2ccccc2N=C(N(C)CCCCC[NH+](C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824847 563081980 /nfs/dbraw/zinc/08/19/80/563081980.db2.gz WSNHBKIWKNYYGN-LJAQVGFWSA-N 1 3 498.671 6.129 1 0 JKAFHO CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827064 563082752 /nfs/dbraw/zinc/08/27/52/563082752.db2.gz HAUQDPMQHAJUER-LJAQVGFWSA-N 1 3 458.671 6.764 1 0 JKAFHO CSc1ccc([C@H]2CN(C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827067 563082756 /nfs/dbraw/zinc/08/27/56/563082756.db2.gz RDBZJBIXPLABFL-HHHXNRCGSA-N 1 3 458.671 6.764 1 0 JKAFHO CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827079 563082894 /nfs/dbraw/zinc/08/28/94/563082894.db2.gz XCHACIZNQYTKBT-GDLZYMKVSA-N 1 3 458.671 6.764 1 0 JKAFHO CCCC[NH+](CCCC)CCCNc1nc(NC2CCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038789 563090935 /nfs/dbraw/zinc/09/09/35/563090935.db2.gz OOZJYAWKIAXYAP-UHFFFAOYSA-N 1 3 483.749 5.921 1 0 JKAFHO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041032 563091573 /nfs/dbraw/zinc/09/15/73/563091573.db2.gz WMQQJXYIZAVGMC-FQLPYIGMSA-N 1 3 497.127 5.219 1 0 JKAFHO CCOc1ccc(Nc2nc3cc(Cl)ccc3c(NCC[NH+](CC)CC)n2)cc1CN(CC)CC ZINC000029204131 563098197 /nfs/dbraw/zinc/09/81/97/563098197.db2.gz YEHDUFLSTOLNLS-UHFFFAOYSA-N 1 3 499.103 6.021 1 0 JKAFHO Cc1cc(N)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5[nH+]c(C)cc(N)c5c4)c3)ccc2n1 ZINC000038472428 563134772 /nfs/dbraw/zinc/13/47/72/563134772.db2.gz UNPNBGNPTXFHDS-UHFFFAOYSA-N 1 3 476.540 5.069 1 0 JKAFHO O=C(CCCN1CCCCC1)c1ccc2[nH]c3ccc(C(=O)CCC[NH+]4CCCCC4)cc3c2c1 ZINC000039208127 563136360 /nfs/dbraw/zinc/13/63/60/563136360.db2.gz JHWHPVUHGJHSER-UHFFFAOYSA-N 1 3 473.661 6.219 1 0 JKAFHO C[NH+](C)C12C[C@@H](OC(=O)CCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040402347 563139631 /nfs/dbraw/zinc/13/96/31/563139631.db2.gz UPRJRCVAPDDNFX-FEVPWDCHSA-N 1 3 460.662 5.456 1 0 JKAFHO COc1ccc2nccc(N[C@@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000040975755 563161964 /nfs/dbraw/zinc/16/19/64/563161964.db2.gz ZPQCQSBWSHMMGA-MUUNZHRXSA-N 1 3 458.005 6.694 1 0 JKAFHO C[NH+](C)C12C[C@H](c3ccc(Cl)c(Cl)c3)C(NCC1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878477 563163212 /nfs/dbraw/zinc/16/32/12/563163212.db2.gz XQXDLYHIFUDHML-KILAXVPQSA-N 1 3 458.260 6.624 1 0 JKAFHO CN(C)C12C[C@H](c3ccc(Cl)c(Cl)c3)C([NH2+]CC1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878477 563163213 /nfs/dbraw/zinc/16/32/13/563163213.db2.gz XQXDLYHIFUDHML-KILAXVPQSA-N 1 3 458.260 6.624 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc21 ZINC000045187261 563174289 /nfs/dbraw/zinc/17/42/89/563174289.db2.gz WOPLTGYYIBUKPK-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)[nH]c21 ZINC000045187261 563174290 /nfs/dbraw/zinc/17/42/90/563174290.db2.gz WOPLTGYYIBUKPK-UHFFFAOYSA-N 1 3 459.597 5.923 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C6CC[NH+](C)CC6)CC5)cc4)s3)nc21 ZINC000045191626 563175926 /nfs/dbraw/zinc/17/59/26/563175926.db2.gz AUAGHRNWOPDKFF-UHFFFAOYSA-N 1 3 485.701 5.479 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193493 563176625 /nfs/dbraw/zinc/17/66/25/563176625.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193493 563176626 /nfs/dbraw/zinc/17/66/26/563176626.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193493 563176627 /nfs/dbraw/zinc/17/66/27/563176627.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193493 563176628 /nfs/dbraw/zinc/17/66/28/563176628.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 1 3 493.699 5.665 1 0 JKAFHO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)s3)[nH]c21 ZINC000045201796 563178491 /nfs/dbraw/zinc/17/84/91/563178491.db2.gz UYXGPTCHAMIDSL-UHFFFAOYSA-N 1 3 465.626 5.984 1 0 JKAFHO C[N@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202337 563178699 /nfs/dbraw/zinc/17/86/99/563178699.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 1 3 450.026 5.396 1 0 JKAFHO C[N@@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202337 563178700 /nfs/dbraw/zinc/17/87/00/563178700.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 1 3 450.026 5.396 1 0 JKAFHO CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCN(C)C)C(=O)NCCc3ccccc3)c2)c1 ZINC000045202807 563178986 /nfs/dbraw/zinc/17/89/86/563178986.db2.gz WGBQPDQVAGZUEE-UHFFFAOYSA-N 1 3 486.704 5.415 1 0 JKAFHO [NH3+]Cc1ccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045210318 563179351 /nfs/dbraw/zinc/17/93/51/563179351.db2.gz JUCJGUGZQOIGFV-UHFFFAOYSA-N 1 3 486.541 6.664 1 0 JKAFHO C[N@@H+]1CC[C@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189911 /nfs/dbraw/zinc/18/99/11/563189911.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 1 3 498.454 5.234 1 0 JKAFHO C[N@H+]1CC[C@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189912 /nfs/dbraw/zinc/18/99/12/563189912.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 1 3 498.454 5.234 1 0 JKAFHO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(CC[NH+]6CCCCC6)CC5)c4)s3)nc21 ZINC000045338859 563190876 /nfs/dbraw/zinc/19/08/76/563190876.db2.gz JWLNNOVHVVYBLC-UHFFFAOYSA-N 1 3 498.740 7.355 1 0 JKAFHO CN(C)C12C[C@H](c3ccc(Cl)cc3)C([C@@H](c3ccc(Cl)cc3)C1)[N@H+](CCc1ccccc1)CC2 ZINC000058487632 563206580 /nfs/dbraw/zinc/20/65/80/563206580.db2.gz FQCWPRLQQZITFX-FSOBKABBSA-N 1 3 493.522 7.272 1 0 JKAFHO CN(C)C12C[C@H](c3ccc(Cl)cc3)C([C@@H](c3ccc(Cl)cc3)C1)[N@@H+](CCc1ccccc1)CC2 ZINC000058487632 563206581 /nfs/dbraw/zinc/20/65/81/563206581.db2.gz FQCWPRLQQZITFX-FSOBKABBSA-N 1 3 493.522 7.272 1 0 JKAFHO