smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000000602902 557019025 /nfs/dbraw/zinc/01/90/25/557019025.db2.gz VTGBZWHPJFMTKS-UHFFFAOYSA-N 1 0 411.505 5.519 50 0 investigational HKAARO O=C(C[NH+]1CCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000626313 557022804 /nfs/dbraw/zinc/02/28/04/557022804.db2.gz SECLFHLRLDATTQ-VWLOTQADSA-N 1 0 419.613 5.395 50 0 HKAARO O=C(C[NH+]1CCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000626315 557022696 /nfs/dbraw/zinc/02/26/96/557022696.db2.gz SECLFHLRLDATTQ-RUZDIDTESA-N 1 0 419.613 5.395 50 0 HKAARO CC[NH+](CC)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000667891 568460460 /nfs/dbraw/zinc/46/04/60/568460460.db2.gz SQQAVQYUIVWHNL-DEOSSOPVSA-N 1 0 407.602 5.250 50 0 HKAARO CC[NH+](CC)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000667894 568460506 /nfs/dbraw/zinc/46/05/06/568460506.db2.gz SQQAVQYUIVWHNL-XMMPIXPASA-N 1 0 407.602 5.250 50 0 HKAARO C[C@@]12CN(Cc3ccccc3Br)C[C@@](C)(C[N@H+](Cc3ccccc3)C1)C2 ZINC000000674510 557051508 /nfs/dbraw/zinc/05/15/08/557051508.db2.gz PLQAUTSTPBCGLO-ZRZAMGCNSA-N 1 0 413.403 5.183 50 0 HKAARO CC(C)(C)[NH2+]CCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc21 ZINC000000708905 557065227 /nfs/dbraw/zinc/06/52/27/557065227.db2.gz IOYKSAZNQDWNRZ-UHFFFAOYSA-N 1 0 411.347 5.107 50 0 HKAARO Brc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1 ZINC000000708906 557065201 /nfs/dbraw/zinc/06/52/01/557065201.db2.gz HMZFNUUBOUJUFC-UHFFFAOYSA-N 1 0 423.358 5.204 50 0 HKAARO CC1=C(CC[C@]2(C)OC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)[C@@]2(C)O)C(C)(C)CCC1 ZINC000000710746 568465182 /nfs/dbraw/zinc/46/51/82/568465182.db2.gz YTLQRXDKKVFHPU-DQEYMECFSA-N 1 0 420.638 5.522 50 0 HKAARO CC1=C(CC[C@@]2(C)OC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)[C@@]2(C)O)C(C)(C)CCC1 ZINC000000710747 568465170 /nfs/dbraw/zinc/46/51/70/568465170.db2.gz YTLQRXDKKVFHPU-RPBOFIJWSA-N 1 0 420.638 5.522 50 0 HKAARO CC1=C(CC[C@]2(C)OC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)[C@]2(C)O)C(C)(C)CCC1 ZINC000000710748 568465205 /nfs/dbraw/zinc/46/52/05/568465205.db2.gz YTLQRXDKKVFHPU-LOSJGSFVSA-N 1 0 420.638 5.522 50 0 HKAARO CC1=C(CC[C@@]2(C)OC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)[C@]2(C)O)C(C)(C)CCC1 ZINC000000710749 568465159 /nfs/dbraw/zinc/46/51/59/568465159.db2.gz YTLQRXDKKVFHPU-JWQCQUIFSA-N 1 0 420.638 5.522 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12 ZINC000000716210 558774215 /nfs/dbraw/zinc/77/42/15/558774215.db2.gz WWWFWJYFGKURSX-UHFFFAOYSA-N 1 0 402.542 5.117 50 0 HKAARO Cc1ccc2c(c1)[C@@H](Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1CS2 ZINC000000717629 557068764 /nfs/dbraw/zinc/06/87/64/557068764.db2.gz QQZUJGHOAFEOQU-VWLOTQADSA-N 1 0 404.579 5.743 50 0 HKAARO Cc1ccc2c(c1)[C@H](Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1CS2 ZINC000000717630 557068687 /nfs/dbraw/zinc/06/86/87/557068687.db2.gz QQZUJGHOAFEOQU-RUZDIDTESA-N 1 0 404.579 5.743 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3ccc(Cl)cc3)nc12 ZINC000000727375 557073848 /nfs/dbraw/zinc/07/38/48/557073848.db2.gz QRYGYJVSXSUYSS-UHFFFAOYSA-N 1 0 408.933 5.154 50 0 HKAARO c1c(-c2ccc(-c3ccccc3)cc2)nc2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000000753569 557076200 /nfs/dbraw/zinc/07/62/00/557076200.db2.gz RCYTVILOJWIREZ-UHFFFAOYSA-N 1 0 420.560 6.109 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000000753570 557076217 /nfs/dbraw/zinc/07/62/17/557076217.db2.gz DYZCRMVETSARJM-UHFFFAOYSA-N 1 0 408.549 5.965 50 0 HKAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755523 557076813 /nfs/dbraw/zinc/07/68/13/557076813.db2.gz JWUIMICFERHLDV-IBGZPJMESA-N 1 0 402.623 5.068 50 0 HKAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755524 557077003 /nfs/dbraw/zinc/07/70/03/557077003.db2.gz JWUIMICFERHLDV-LJQANCHMSA-N 1 0 402.623 5.068 50 0 HKAARO OC1(c2ccc(Br)cc2)CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000757052 558774245 /nfs/dbraw/zinc/77/42/45/558774245.db2.gz ZLXMTRYFKHRETN-UHFFFAOYSA-N 1 0 414.387 5.459 50 0 HKAARO c1ccc(CN2CCn3c4ccc(C5=C[NH+]6CCC5CC6)cc4c4c3[C@@H]2CCC4)cc1 ZINC000000757957 557076796 /nfs/dbraw/zinc/07/67/96/557076796.db2.gz FZQKNUWSUQBTMN-MHZLTWQESA-N 1 0 409.577 5.601 50 0 biogenic HKAARO c1ccc(CN2CCn3c4ccc(C5=C[NH+]6CCC5CC6)cc4c4c3[C@H]2CCC4)cc1 ZINC000000757959 557076846 /nfs/dbraw/zinc/07/68/46/557076846.db2.gz FZQKNUWSUQBTMN-HHHXNRCGSA-N 1 0 409.577 5.601 50 0 biogenic HKAARO CC[NH+](CC)CCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc21 ZINC000000758816 557077171 /nfs/dbraw/zinc/07/71/71/557077171.db2.gz MCDCVPRMAOPUCY-UHFFFAOYSA-N 1 0 411.347 5.060 50 0 biogenic HKAARO Brc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000000759013 557077366 /nfs/dbraw/zinc/07/73/66/557077366.db2.gz GLKLWHSLABCXLV-UHFFFAOYSA-N 1 0 423.358 5.204 50 0 HKAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C(C)C)c1 ZINC000000787822 568477541 /nfs/dbraw/zinc/47/75/41/568477541.db2.gz ZFJDIERUUVCKKG-UHFFFAOYSA-N 1 0 422.679 5.644 50 0 HKAARO C[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000825333 558835835 /nfs/dbraw/zinc/83/58/35/558835835.db2.gz MSXWFYBNKMNHSE-INIZCTEOSA-N 1 0 408.954 5.690 50 0 HKAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OCC(C)C ZINC000000856867 557102980 /nfs/dbraw/zinc/10/29/80/557102980.db2.gz JSXHJZHAZDOQRY-QFIPXVFZSA-N 1 0 424.585 5.013 50 0 HKAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OCC(C)C ZINC000000856868 557103074 /nfs/dbraw/zinc/10/30/74/557103074.db2.gz JSXHJZHAZDOQRY-JOCHJYFZSA-N 1 0 424.585 5.013 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(OC)c2)cc1 ZINC000000856885 557103130 /nfs/dbraw/zinc/10/31/30/557103130.db2.gz VVPCVVZIXRJYPS-UHFFFAOYSA-N 1 0 419.521 5.068 50 0 biogenic HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2)cc1 ZINC000000856886 557103055 /nfs/dbraw/zinc/10/30/55/557103055.db2.gz SKTKLAIYDVFVFX-UHFFFAOYSA-N 1 0 419.521 5.068 50 0 biogenic HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(CC)cc2)cc1 ZINC000000856892 557103068 /nfs/dbraw/zinc/10/30/68/557103068.db2.gz PMFRHYULUAJIEK-UHFFFAOYSA-N 1 0 417.549 5.621 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(F)cc2)cc1 ZINC000000856894 557103007 /nfs/dbraw/zinc/10/30/07/557103007.db2.gz SUJYCHNFMXHEEH-UHFFFAOYSA-N 1 0 407.485 5.198 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(C)c2)cc1 ZINC000000856904 557103122 /nfs/dbraw/zinc/10/31/22/557103122.db2.gz VSQRNEUSSTZOHV-UHFFFAOYSA-N 1 0 403.522 5.367 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(C)cc2)cc1 ZINC000000856906 557102991 /nfs/dbraw/zinc/10/29/91/557102991.db2.gz GWHPTTXHJXGPKT-UHFFFAOYSA-N 1 0 403.522 5.367 50 0 HKAARO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000858010 557103351 /nfs/dbraw/zinc/10/33/51/557103351.db2.gz QKKCIGUNBYUOTI-UHFFFAOYSA-N 1 0 418.968 6.047 50 0 HKAARO O=C(CC[NH+]1CCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000872565 526482322 /nfs/dbraw/zinc/48/23/22/526482322.db2.gz LPARPXDCBOPQTC-UHFFFAOYSA-N 1 0 406.473 5.711 50 0 HKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000000935750 568751383 /nfs/dbraw/zinc/75/13/83/568751383.db2.gz RTXMXQHCLOKAFG-OAQYLSRUSA-N 1 0 410.539 5.404 50 0 HKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000000935751 568751323 /nfs/dbraw/zinc/75/13/23/568751323.db2.gz RTXMXQHCLOKAFG-NRFANRHFSA-N 1 0 410.539 5.404 50 0 HKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000000935752 568751225 /nfs/dbraw/zinc/75/12/25/568751225.db2.gz YBJRGVCYUGWZOG-JOCHJYFZSA-N 1 0 424.566 5.794 50 0 HKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000000935753 568751318 /nfs/dbraw/zinc/75/13/18/568751318.db2.gz YBJRGVCYUGWZOG-QFIPXVFZSA-N 1 0 424.566 5.794 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000000935767 568751244 /nfs/dbraw/zinc/75/12/44/568751244.db2.gz IPUMJBKOPIFZHC-NRFANRHFSA-N 1 0 412.530 5.925 50 0 HKAARO Cc1sc2c(c1C)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CN2C(=O)c1ccccc1 ZINC000000936740 568751457 /nfs/dbraw/zinc/75/14/57/568751457.db2.gz FKTFUFWWZNBJTJ-UHFFFAOYSA-N 1 0 411.615 5.094 50 0 HKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000000936748 568751522 /nfs/dbraw/zinc/75/15/22/568751522.db2.gz IPHYIULARRFROB-HSZRJFAPSA-N 1 0 420.578 5.811 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)[NH+]2CCC(C)CC2)c1C ZINC000000936770 568751487 /nfs/dbraw/zinc/75/14/87/568751487.db2.gz HSTZBRUOWGXBBL-QHCPKHFHSA-N 1 0 419.594 5.834 50 0 HKAARO CC[NH+](CC)CC/N=c1\cc(-c2ccc(OC)c(OC)c2)oc2ccc(Cl)cc21 ZINC000000937848 568752038 /nfs/dbraw/zinc/75/20/38/568752038.db2.gz BYXDFYGTZYMBRR-NCELDCMTSA-N 1 0 414.933 5.013 50 0 HKAARO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000938001 568752087 /nfs/dbraw/zinc/75/20/87/568752087.db2.gz FAIGVFDSKRSPHB-UHFFFAOYSA-N 1 0 406.551 5.184 50 0 HKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000000949042 557123766 /nfs/dbraw/zinc/12/37/66/557123766.db2.gz PJPWAIVSARHDEW-UHFFFAOYSA-N 1 0 404.251 5.290 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000000950078 568756369 /nfs/dbraw/zinc/75/63/69/568756369.db2.gz VFEBSWQSDNNTBL-UHFFFAOYSA-N 1 0 408.567 5.665 50 0 HKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000000985702 568760502 /nfs/dbraw/zinc/76/05/02/568760502.db2.gz NYWREHRGJLDICR-DEOSSOPVSA-N 1 0 402.469 5.130 50 0 HKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000000985703 568760541 /nfs/dbraw/zinc/76/05/41/568760541.db2.gz NYWREHRGJLDICR-XMMPIXPASA-N 1 0 402.469 5.130 50 0 HKAARO CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1c(Cl)cccc1Cl ZINC000001019597 557143576 /nfs/dbraw/zinc/14/35/76/557143576.db2.gz ZZZSLPCOWAYEOF-GOSISDBHSA-N 1 0 402.281 5.195 50 0 HKAARO CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1c(Cl)cccc1Cl ZINC000001019598 557143562 /nfs/dbraw/zinc/14/35/62/557143562.db2.gz ZZZSLPCOWAYEOF-SFHVURJKSA-N 1 0 402.281 5.195 50 0 HKAARO COc1ccc(Cl)cc1C[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000001070703 557169388 /nfs/dbraw/zinc/16/93/88/557169388.db2.gz GMDNRMMSOLFPNJ-UHFFFAOYSA-N 1 0 422.356 5.036 50 0 HKAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[NH+]1CCCCCC1 ZINC000001093168 560564943 /nfs/dbraw/zinc/56/49/43/560564943.db2.gz WSVGPFPLEGVOOJ-UHFFFAOYSA-N 1 0 414.571 5.105 50 0 HKAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000001179432 557229258 /nfs/dbraw/zinc/22/92/58/557229258.db2.gz YQOMPOSDHNZJER-RUZDIDTESA-N 1 0 416.609 5.326 50 0 HKAARO O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000001179433 557229655 /nfs/dbraw/zinc/22/96/55/557229655.db2.gz YQOMPOSDHNZJER-VWLOTQADSA-N 1 0 416.609 5.326 50 0 HKAARO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000001226488 568861587 /nfs/dbraw/zinc/86/15/87/568861587.db2.gz NRKUKKMZEDBMJX-UHFFFAOYSA-N 1 0 401.550 5.729 50 0 HKAARO Nc1c2c([nH+]c3ccc(Br)cc13)N(c1ccc(Cl)c(Cl)c1)CC2 ZINC000001233180 557249959 /nfs/dbraw/zinc/24/99/59/557249959.db2.gz AUXISKWLTSUBTJ-UHFFFAOYSA-N 1 0 409.114 5.581 50 0 HKAARO CCn1c2cc(Cl)c(Cl)cc2[n+](CC)c1/C=C/N(C(C)=O)c1ccccc1 ZINC000001234986 557250239 /nfs/dbraw/zinc/25/02/39/557250239.db2.gz ROPNYGOSLAOHNV-UHFFFAOYSA-N 1 0 403.333 5.299 50 0 HKAARO Clc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCCCC3)cc1 ZINC000001240931 557250747 /nfs/dbraw/zinc/25/07/47/557250747.db2.gz FGMZOISDJSGQAM-UHFFFAOYSA-N 1 0 402.743 5.574 50 0 HKAARO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000001246586 568908652 /nfs/dbraw/zinc/90/86/52/568908652.db2.gz GQLQFNCLQFWVRE-IZZNHLLZSA-N 1 0 407.598 5.374 50 0 HKAARO CC[NH+](CC)CCNc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000001248295 568908612 /nfs/dbraw/zinc/90/86/12/568908612.db2.gz OOGQIVFWUYMAQY-UHFFFAOYSA-N 1 0 417.582 5.149 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc21 ZINC000001282705 568910764 /nfs/dbraw/zinc/91/07/64/568910764.db2.gz QKUKAUMQYLTFKF-UHFFFAOYSA-N 1 0 411.347 5.060 50 0 HKAARO COc1ccc2[nH]cc(CC[NH+](Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1 ZINC000001283109 568911088 /nfs/dbraw/zinc/91/10/88/568911088.db2.gz GEIZSCPDIWQKDG-UHFFFAOYSA-N 1 0 406.476 5.700 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000001298383 568913199 /nfs/dbraw/zinc/91/31/99/568913199.db2.gz ZCVAGUXAOUETBP-JOCHJYFZSA-N 1 0 405.567 5.588 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000001298395 568913181 /nfs/dbraw/zinc/91/31/81/568913181.db2.gz BMEILHJASUCBME-JOCHJYFZSA-N 1 0 405.567 5.588 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000001298406 568913139 /nfs/dbraw/zinc/91/31/39/568913139.db2.gz UJCGOLRFDJMVIE-HSZRJFAPSA-N 1 0 419.594 5.834 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000001298410 568913165 /nfs/dbraw/zinc/91/31/65/568913165.db2.gz UJCGOLRFDJMVIE-QHCPKHFHSA-N 1 0 419.594 5.834 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c1C ZINC000001298412 568913133 /nfs/dbraw/zinc/91/31/33/568913133.db2.gz ZVPKOUKTJMFOHH-HSZRJFAPSA-N 1 0 419.594 5.834 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c1C ZINC000001298415 568913151 /nfs/dbraw/zinc/91/31/51/568913151.db2.gz ZVPKOUKTJMFOHH-QHCPKHFHSA-N 1 0 419.594 5.834 50 0 HKAARO COc1ccc(C2=C(C[NH+](C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000001322648 568914776 /nfs/dbraw/zinc/91/47/76/568914776.db2.gz LZZCQGRDBHQTFA-RUZDIDTESA-N 1 0 401.506 5.201 50 0 biogenic HKAARO COc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000001322649 568914691 /nfs/dbraw/zinc/91/46/91/568914691.db2.gz LZZCQGRDBHQTFA-VWLOTQADSA-N 1 0 401.506 5.201 50 0 biogenic HKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccccc1F ZINC000001322780 568914679 /nfs/dbraw/zinc/91/46/79/568914679.db2.gz XLCLUPYUHIBXRE-DEOSSOPVSA-N 1 0 402.469 5.130 50 0 biogenic HKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccccc1F ZINC000001322781 568914787 /nfs/dbraw/zinc/91/47/87/568914787.db2.gz XLCLUPYUHIBXRE-XMMPIXPASA-N 1 0 402.469 5.130 50 0 biogenic HKAARO FC(F)(F)c1cnc(NCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)c(Cl)c1 ZINC000001401403 568927221 /nfs/dbraw/zinc/92/72/21/568927221.db2.gz HXZSRNWPGIMMNE-UHFFFAOYSA-N 1 0 407.867 5.271 50 0 HKAARO Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccco4)=C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000001406756 568928537 /nfs/dbraw/zinc/92/85/37/568928537.db2.gz CUAYPWFYSAAIBE-SGQUHAKNSA-N 1 0 419.428 5.242 50 0 HKAARO Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccco4)=C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000001406761 568928496 /nfs/dbraw/zinc/92/84/96/568928496.db2.gz CUAYPWFYSAAIBE-CSHXORCISA-N 1 0 419.428 5.242 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000001448863 568985345 /nfs/dbraw/zinc/98/53/45/568985345.db2.gz RHZSMEDCHRBGJR-HXUWFJFHSA-N 1 0 414.958 6.049 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)cc1 ZINC000001456140 568987122 /nfs/dbraw/zinc/98/71/22/568987122.db2.gz YIYDVUUXRLWHAL-UHFFFAOYSA-N 1 0 423.940 5.712 50 0 HKAARO CCC(=O)N(c1ccc2[nH]c(C(C)(C)C)cc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001501479 557270472 /nfs/dbraw/zinc/27/04/72/557270472.db2.gz YQXCNHWOJVYUAY-UHFFFAOYSA-N 1 0 417.597 5.873 50 0 HKAARO CC[NH+](CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 ZINC000001530601 557271418 /nfs/dbraw/zinc/27/14/18/557271418.db2.gz GKIRPKYJQBWNGO-OCEACIFDSA-N 1 0 405.969 6.563 50 0 fda HKAARO C[NH+](C)[C@H](c1ccccc1)[C@H]1CCCC[C@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001549405 569027481 /nfs/dbraw/zinc/02/74/81/569027481.db2.gz RVCDIGZZCIKTFM-PWRODBHTSA-N 1 0 405.460 5.724 50 0 HKAARO CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000001552908 557272095 /nfs/dbraw/zinc/27/20/95/557272095.db2.gz DCCSDBARQIPTGU-HSZRJFAPSA-N 1 0 411.586 5.381 50 0 fda HKAARO Clc1ccc2c(c1)N([C@H]1CCC[N@H+](Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553155 132247020 /nfs/dbraw/zinc/24/70/20/132247020.db2.gz HRNUQLNMNFLJNC-FQEVSTJZSA-N 1 0 406.982 6.607 50 0 HKAARO Clc1ccc2c(c1)N([C@@H]1CCC[N@H+](Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553156 132247209 /nfs/dbraw/zinc/24/72/09/132247209.db2.gz HRNUQLNMNFLJNC-HXUWFJFHSA-N 1 0 406.982 6.607 50 0 HKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC000001568045 557272964 /nfs/dbraw/zinc/27/29/64/557272964.db2.gz DALUOHFKVYCDCW-QFIPXVFZSA-N 1 0 406.397 6.500 50 0 HKAARO COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000001580474 569030630 /nfs/dbraw/zinc/03/06/30/569030630.db2.gz NCXSPZYKHJGFIK-DEOSSOPVSA-N 1 0 409.614 6.571 50 0 HKAARO C(=C/c1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)cc1)\c1ccccc1 ZINC000001580855 557273817 /nfs/dbraw/zinc/27/38/17/557273817.db2.gz ZLKDAUOJQKIWLC-WUKNDPDISA-N 1 0 401.493 5.381 50 0 HKAARO C/C(=C(/c1ccc(F)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000001592608 557275312 /nfs/dbraw/zinc/27/53/12/557275312.db2.gz NKMKTKLEMHRDQT-SZXQPVLSSA-N 1 0 401.525 6.279 50 0 HKAARO CC(C)[NH2+]CCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc21 ZINC000001760721 557285345 /nfs/dbraw/zinc/28/53/45/557285345.db2.gz BRNWYCOPJNWIMK-UHFFFAOYSA-N 1 0 411.347 5.107 50 0 HKAARO COc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C2CCCCC2)cc1 ZINC000001763656 557285407 /nfs/dbraw/zinc/28/54/07/557285407.db2.gz SHZOFJBBRUEACS-UHFFFAOYSA-N 1 0 402.542 5.277 50 0 HKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001766193 569052208 /nfs/dbraw/zinc/05/22/08/569052208.db2.gz FKTHLJZZSTWDLH-XMMPIXPASA-N 1 0 423.984 6.448 50 0 biogenic HKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001766197 569052214 /nfs/dbraw/zinc/05/22/14/569052214.db2.gz FKTHLJZZSTWDLH-DEOSSOPVSA-N 1 0 423.984 6.448 50 0 biogenic HKAARO CCOc1ccc(-[n+]2c(-c3ccc(-c4ccccc4)cc3)cn3c2CCCCC3)cc1 ZINC000001771454 557285834 /nfs/dbraw/zinc/28/58/34/557285834.db2.gz XRMUCZWWEOUGOV-UHFFFAOYSA-N 1 0 409.553 6.224 50 0 HKAARO CN(c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000001773064 560583470 /nfs/dbraw/zinc/58/34/70/560583470.db2.gz YRAHMLVJMVTYTG-UHFFFAOYSA-N 1 0 401.341 5.134 50 0 HKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001783184 569052882 /nfs/dbraw/zinc/05/28/82/569052882.db2.gz QMIIQMXGYVQMID-SQJMNOBHSA-N 1 0 403.566 6.355 50 0 HKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001783187 569052858 /nfs/dbraw/zinc/05/28/58/569052858.db2.gz QMIIQMXGYVQMID-OFVILXPXSA-N 1 0 403.566 6.355 50 0 HKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001783188 569052893 /nfs/dbraw/zinc/05/28/93/569052893.db2.gz QMIIQMXGYVQMID-PXDATVDWSA-N 1 0 403.566 6.355 50 0 HKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001783190 569052904 /nfs/dbraw/zinc/05/29/04/569052904.db2.gz QMIIQMXGYVQMID-BWKNWUBXSA-N 1 0 403.566 6.355 50 0 HKAARO Clc1ccc(-c2cn3c([n+]2Cc2ccc(Cl)cc2Cl)CCCCC3)cc1 ZINC000001793832 569053276 /nfs/dbraw/zinc/05/32/76/569053276.db2.gz BTCWHZFJGIVZQX-UHFFFAOYSA-N 1 0 406.764 6.178 50 0 HKAARO COC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001794286 569053256 /nfs/dbraw/zinc/05/32/56/569053256.db2.gz OMIWVZGQMXEZLZ-HSZRJFAPSA-N 1 0 420.896 5.005 50 0 HKAARO COC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001794289 569053298 /nfs/dbraw/zinc/05/32/98/569053298.db2.gz OMIWVZGQMXEZLZ-QHCPKHFHSA-N 1 0 420.896 5.005 50 0 HKAARO COc1ccc(CC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000001796372 569053198 /nfs/dbraw/zinc/05/31/98/569053198.db2.gz JXENVAXFIRDHLN-NRFANRHFSA-N 1 0 403.566 5.837 50 0 HKAARO COc1ccc(CC[C@@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000001796373 569053260 /nfs/dbraw/zinc/05/32/60/569053260.db2.gz JXENVAXFIRDHLN-OAQYLSRUSA-N 1 0 403.566 5.837 50 0 HKAARO On1c2ccccc2c([C@H](Nc2ccccn2)c2ccc(F)cc2)c1-c1ccccc1 ZINC000001796966 569053246 /nfs/dbraw/zinc/05/32/46/569053246.db2.gz KCVCAEJFWRYBMV-RUZDIDTESA-N 1 0 409.464 6.281 50 0 HKAARO On1c2ccccc2c([C@@H](Nc2ccccn2)c2ccc(F)cc2)c1-c1ccccc1 ZINC000001796969 569053270 /nfs/dbraw/zinc/05/32/70/569053270.db2.gz KCVCAEJFWRYBMV-VWLOTQADSA-N 1 0 409.464 6.281 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1OC ZINC000001799507 569060421 /nfs/dbraw/zinc/06/04/21/569060421.db2.gz ZWAQPQWYVAMZOD-VWLOTQADSA-N 1 0 419.565 5.803 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1OC ZINC000001799509 569060416 /nfs/dbraw/zinc/06/04/16/569060416.db2.gz ZWAQPQWYVAMZOD-RUZDIDTESA-N 1 0 419.565 5.803 50 0 biogenic HKAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)CC1 ZINC000001801760 132247805 /nfs/dbraw/zinc/24/78/05/132247805.db2.gz KJIASPRLECPHAC-UHFFFAOYSA-N 1 0 400.551 5.167 50 0 HKAARO CCN1c2ccccc2S/C1=C/C=C(C)/C=C/c1sc2ccccc2[n+]1CC ZINC000001804202 560583242 /nfs/dbraw/zinc/58/32/42/560583242.db2.gz JDXDZIKIOPUAKO-UHFFFAOYSA-N 1 0 405.612 6.642 50 0 HKAARO CC[n+]1c(/C=C2/C=C(/C=C/N(C)c3ccccc3)CC(C)(C)C2)sc2ccccc21 ZINC000001805787 569053520 /nfs/dbraw/zinc/05/35/20/569053520.db2.gz PNRAEZWZTOAGRR-UHFFFAOYSA-N 1 0 415.626 6.989 50 0 HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCCCC1 ZINC000001808742 557290133 /nfs/dbraw/zinc/29/01/33/557290133.db2.gz WZRCQMGHRLAAPM-RUZDIDTESA-N 1 0 424.588 6.131 50 0 biogenic HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCCCC1 ZINC000001808744 557290102 /nfs/dbraw/zinc/29/01/02/557290102.db2.gz WZRCQMGHRLAAPM-VWLOTQADSA-N 1 0 424.588 6.131 50 0 biogenic HKAARO c1ccc(C[n+]2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001809877 569053733 /nfs/dbraw/zinc/05/37/33/569053733.db2.gz YAGBRLRRZGYAII-UHFFFAOYSA-N 1 0 420.561 6.616 50 0 HKAARO Cc1ccc(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1C ZINC000001811730 132247917 /nfs/dbraw/zinc/24/79/17/132247917.db2.gz FMNSMGXJPLUHFD-UHFFFAOYSA-N 1 0 408.549 5.236 50 0 HKAARO Clc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCCCC3)cc1 ZINC000001812502 568837008 /nfs/dbraw/zinc/83/70/08/568837008.db2.gz ZJQUGUVYOJWALQ-UHFFFAOYSA-N 1 0 406.764 6.178 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001813013 568836990 /nfs/dbraw/zinc/83/69/90/568836990.db2.gz GHCVIPZFNLGPME-RUZDIDTESA-N 1 0 419.565 5.803 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001813014 568837010 /nfs/dbraw/zinc/83/70/10/568837010.db2.gz GHCVIPZFNLGPME-VWLOTQADSA-N 1 0 419.565 5.803 50 0 HKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001818140 568837234 /nfs/dbraw/zinc/83/72/34/568837234.db2.gz FSUDPOHGCXEWQQ-FNZWTVRRSA-N 1 0 407.985 7.000 50 0 biogenic HKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001818141 569056136 /nfs/dbraw/zinc/05/61/36/569056136.db2.gz FSUDPOHGCXEWQQ-RXFWQSSRSA-N 1 0 407.985 7.000 50 0 biogenic HKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001818142 569056135 /nfs/dbraw/zinc/05/61/35/569056135.db2.gz FSUDPOHGCXEWQQ-IBVKSMDESA-N 1 0 407.985 7.000 50 0 biogenic HKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001818143 569056181 /nfs/dbraw/zinc/05/61/81/569056181.db2.gz FSUDPOHGCXEWQQ-FQRUVTKNSA-N 1 0 407.985 7.000 50 0 biogenic HKAARO Cc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001819007 569056156 /nfs/dbraw/zinc/05/61/56/569056156.db2.gz BQCMHIUJKMUBKE-KDYSTLNUSA-N 1 0 422.012 7.308 50 0 biogenic HKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001819008 569056232 /nfs/dbraw/zinc/05/62/32/569056232.db2.gz BQCMHIUJKMUBKE-IDISGSTGSA-N 1 0 422.012 7.308 50 0 biogenic HKAARO Cc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001819009 568837192 /nfs/dbraw/zinc/83/71/92/568837192.db2.gz BQCMHIUJKMUBKE-JIPXPUAJSA-N 1 0 422.012 7.308 50 0 biogenic HKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001819010 568837150 /nfs/dbraw/zinc/83/71/50/568837150.db2.gz BQCMHIUJKMUBKE-ZBLYBZFDSA-N 1 0 422.012 7.308 50 0 biogenic HKAARO c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)s[n+]2-c2ccccc2)cc1 ZINC000001820741 569056280 /nfs/dbraw/zinc/05/62/80/569056280.db2.gz JPPMVRYMACPNAY-UHFFFAOYSA-N 1 0 406.534 6.557 50 0 HKAARO Cc1ccc([C@@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCOC(C)(C)C2)cc1 ZINC000001821335 569056288 /nfs/dbraw/zinc/05/62/88/569056288.db2.gz LXJMHRPUYRUYNE-XZOQPEGZSA-N 1 0 409.570 5.583 50 0 biogenic HKAARO Cc1ccc([C@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCOC(C)(C)C2)cc1 ZINC000001821336 568837602 /nfs/dbraw/zinc/83/76/02/568837602.db2.gz LXJMHRPUYRUYNE-GOTSBHOMSA-N 1 0 409.570 5.583 50 0 biogenic HKAARO Cc1ccc([C@@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000001821337 568837653 /nfs/dbraw/zinc/83/76/53/568837653.db2.gz LXJMHRPUYRUYNE-DHIUTWEWSA-N 1 0 409.570 5.583 50 0 biogenic HKAARO Cc1ccc([C@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000001821338 568837594 /nfs/dbraw/zinc/83/75/94/568837594.db2.gz LXJMHRPUYRUYNE-PKTZIBPZSA-N 1 0 409.570 5.583 50 0 biogenic HKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000001823340 568837851 /nfs/dbraw/zinc/83/78/51/568837851.db2.gz DIBYKYGPIBICIU-FQEVSTJZSA-N 1 0 409.913 5.389 50 0 biogenic HKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000001823341 569056215 /nfs/dbraw/zinc/05/62/15/569056215.db2.gz DIBYKYGPIBICIU-HXUWFJFHSA-N 1 0 409.913 5.389 50 0 biogenic HKAARO COc1ccc([C@H](C)[NH2+]CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001826505 569056289 /nfs/dbraw/zinc/05/62/89/569056289.db2.gz BQZCDFZRTSMLBA-IDISGSTGSA-N 1 0 403.566 6.355 50 0 biogenic HKAARO COc1ccc([C@H](C)[NH2+]CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001826506 569056260 /nfs/dbraw/zinc/05/62/60/569056260.db2.gz BQZCDFZRTSMLBA-KDYSTLNUSA-N 1 0 403.566 6.355 50 0 biogenic HKAARO COc1ccc([C@@H](C)[NH2+]CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001826507 569056249 /nfs/dbraw/zinc/05/62/49/569056249.db2.gz BQZCDFZRTSMLBA-ZBLYBZFDSA-N 1 0 403.566 6.355 50 0 biogenic HKAARO COc1ccc([C@@H](C)[NH2+]CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001826508 569056290 /nfs/dbraw/zinc/05/62/90/569056290.db2.gz BQZCDFZRTSMLBA-JIPXPUAJSA-N 1 0 403.566 6.355 50 0 biogenic HKAARO Clc1ccc2c(c1)N(CCC[N@@H+]1CCCC13CCCCC3)c1ccccc1S2 ZINC000001843302 132248121 /nfs/dbraw/zinc/24/81/21/132248121.db2.gz JGALTZABCXYMHO-UHFFFAOYSA-N 1 0 413.030 7.132 50 0 in-vitro HKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001896458 568840082 /nfs/dbraw/zinc/84/00/82/568840082.db2.gz IDFLVSYGEYZZGR-VWLOTQADSA-N 1 0 419.565 5.803 50 0 biogenic HKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001896460 568840113 /nfs/dbraw/zinc/84/01/13/568840113.db2.gz IDFLVSYGEYZZGR-RUZDIDTESA-N 1 0 419.565 5.803 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001898690 569057212 /nfs/dbraw/zinc/05/72/12/569057212.db2.gz WHJQRCMYEWBSAD-NDEPHWFRSA-N 1 0 417.593 6.573 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001898691 569057242 /nfs/dbraw/zinc/05/72/42/569057242.db2.gz WHJQRCMYEWBSAD-MUUNZHRXSA-N 1 0 417.593 6.573 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001905904 558776304 /nfs/dbraw/zinc/77/63/04/558776304.db2.gz BFBBBRZBSPKHTI-DEOSSOPVSA-N 1 0 403.522 5.514 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001905907 558776219 /nfs/dbraw/zinc/77/62/19/558776219.db2.gz BFBBBRZBSPKHTI-XMMPIXPASA-N 1 0 403.522 5.514 50 0 biogenic HKAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001909253 557295729 /nfs/dbraw/zinc/29/57/29/557295729.db2.gz OYHAUDZZBRVRGK-HHHXNRCGSA-N 1 0 413.541 5.013 50 0 HKAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001909256 557295706 /nfs/dbraw/zinc/29/57/06/557295706.db2.gz OYHAUDZZBRVRGK-MHZLTWQESA-N 1 0 413.541 5.013 50 0 HKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000001949648 569059938 /nfs/dbraw/zinc/05/99/38/569059938.db2.gz KMYSTACCJFWPNY-AGHHOFFYSA-N 1 0 415.985 5.046 50 0 biogenic HKAARO CCCC[NH+](CCCC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002027453 132248483 /nfs/dbraw/zinc/24/84/83/132248483.db2.gz CKBWKZDXAZCOEM-UHFFFAOYSA-N 1 0 402.991 6.372 50 0 HKAARO C[NH+](C)CCCOc1ccc(N[C@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000002049812 557300377 /nfs/dbraw/zinc/30/03/77/557300377.db2.gz LWAPUWSQIHHHOT-VWLOTQADSA-N 1 0 404.579 5.824 50 0 HKAARO C[NH+](C)CCCOc1ccc(N[C@@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000002049813 557300347 /nfs/dbraw/zinc/30/03/47/557300347.db2.gz LWAPUWSQIHHHOT-RUZDIDTESA-N 1 0 404.579 5.824 50 0 HKAARO C[NH+](C)CCOc1ccc(N[C@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 ZINC000002049814 557300313 /nfs/dbraw/zinc/30/03/13/557300313.db2.gz HVCBOHOLCYKAES-DEOSSOPVSA-N 1 0 424.997 6.088 50 0 HKAARO C[NH+](C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 ZINC000002049815 557300350 /nfs/dbraw/zinc/30/03/50/557300350.db2.gz HVCBOHOLCYKAES-XMMPIXPASA-N 1 0 424.997 6.088 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002099476 569281158 /nfs/dbraw/zinc/28/11/58/569281158.db2.gz YJHFNULWAQEHJY-HHHXNRCGSA-N 1 0 403.566 6.103 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002099479 568844327 /nfs/dbraw/zinc/84/43/27/568844327.db2.gz YJHFNULWAQEHJY-MHZLTWQESA-N 1 0 403.566 6.103 50 0 biogenic HKAARO COc1ccc([C@H](C)[NH2+]CC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002114760 569284475 /nfs/dbraw/zinc/28/44/75/569284475.db2.gz ZQFNXXNYOCDXTL-RBISFHTESA-N 1 0 417.593 6.664 50 0 biogenic HKAARO COc1ccc([C@H](C)[NH2+]CC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002114762 569284496 /nfs/dbraw/zinc/28/44/96/569284496.db2.gz ZQFNXXNYOCDXTL-DWACAAAGSA-N 1 0 417.593 6.664 50 0 biogenic HKAARO COc1ccc([C@@H](C)[NH2+]CC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002114766 569284509 /nfs/dbraw/zinc/28/45/09/569284509.db2.gz ZQFNXXNYOCDXTL-SKCUWOTOSA-N 1 0 417.593 6.664 50 0 biogenic HKAARO COc1ccc([C@@H](C)[NH2+]CC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002114767 569284484 /nfs/dbraw/zinc/28/44/84/569284484.db2.gz ZQFNXXNYOCDXTL-DFHRPNOPSA-N 1 0 417.593 6.664 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000002137155 569060504 /nfs/dbraw/zinc/06/05/04/569060504.db2.gz NPVDXABGLDGIQZ-DEOSSOPVSA-N 1 0 417.549 5.709 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000002137157 569060495 /nfs/dbraw/zinc/06/04/95/569060495.db2.gz NPVDXABGLDGIQZ-XMMPIXPASA-N 1 0 417.549 5.709 50 0 biogenic HKAARO Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000002149519 557319389 /nfs/dbraw/zinc/31/93/89/557319389.db2.gz XYKMESYITRVGTA-UHFFFAOYSA-O 1 0 400.501 6.670 50 0 HKAARO COc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 ZINC000002177938 557322428 /nfs/dbraw/zinc/32/24/28/557322428.db2.gz PGZZDMFCDBYPHI-UHFFFAOYSA-N 1 0 409.529 6.153 50 0 HKAARO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000002177970 557322403 /nfs/dbraw/zinc/32/24/03/557322403.db2.gz RDNCVODJXOFVGK-INIZCTEOSA-N 1 0 414.318 6.018 50 0 HKAARO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000002177971 557322370 /nfs/dbraw/zinc/32/23/70/557322370.db2.gz RDNCVODJXOFVGK-MRXNPFEDSA-N 1 0 414.318 6.018 50 0 HKAARO CC(C)(C)c1cc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C(C)(C)C)c1O ZINC000002181763 557322932 /nfs/dbraw/zinc/32/29/32/557322932.db2.gz QPJVDTYWQWSAKT-UHFFFAOYSA-N 1 0 416.650 5.345 50 0 HKAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)CC[N@H+](C)C(C)(C)C)c(C(C)C)c1 ZINC000002183337 569293539 /nfs/dbraw/zinc/29/35/39/569293539.db2.gz HLZHZAZTQOFBOO-UHFFFAOYSA-N 1 0 410.668 5.408 50 0 HKAARO OC1(CCC[NH+]2CCC(c3ccccc3)CC2)c2ccccc2Sc2ccccc21 ZINC000002187527 560585078 /nfs/dbraw/zinc/58/50/78/560585078.db2.gz QQQHVGFETVAJKV-UHFFFAOYSA-N 1 0 415.602 6.047 50 0 HKAARO c1ccc(-[n+]2c3c(cc4c2[C@@H](C2=CCCCC2)CCC4)CCC[C@@H]3C2=CCCCC2)cc1 ZINC000002193444 569293916 /nfs/dbraw/zinc/29/39/16/569293916.db2.gz HAFKOYPGVUSKOM-FQLXRVMXSA-N 1 0 424.652 7.804 50 0 HKAARO c1ccc(-[n+]2c3c(cc4c2[C@H](C2=CCCCC2)CCC4)CCC[C@H]3C2=CCCCC2)cc1 ZINC000002193446 569293909 /nfs/dbraw/zinc/29/39/09/569293909.db2.gz HAFKOYPGVUSKOM-VMPREFPWSA-N 1 0 424.652 7.804 50 0 HKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000002216080 569277818 /nfs/dbraw/zinc/27/78/18/569277818.db2.gz VJRNJFGPKMJBSQ-DCEDVJGZSA-N 1 0 400.006 6.462 50 0 HKAARO CC(C)(C)c1cc(N2CC[NH+](C3CCCCC3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002237616 132250159 /nfs/dbraw/zinc/25/01/59/132250159.db2.gz MKYFAPXIXAKPQJ-UHFFFAOYSA-N 1 0 417.601 5.149 50 0 HKAARO COc1ccc2c(c1)c(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249669 569324564 /nfs/dbraw/zinc/32/45/64/569324564.db2.gz FXYHGMRVYYMCIG-KDURUIRLSA-N 1 0 404.554 5.167 50 0 HKAARO COc1ccc2c(c1)c(C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249670 569324501 /nfs/dbraw/zinc/32/45/01/569324501.db2.gz FXYHGMRVYYMCIG-OALUTQOASA-N 1 0 404.554 5.167 50 0 HKAARO COc1ccc2c(c1)c(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249671 569324516 /nfs/dbraw/zinc/32/45/16/569324516.db2.gz FXYHGMRVYYMCIG-RTBURBONSA-N 1 0 404.554 5.167 50 0 HKAARO NNc1[nH+]c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002254383 569326244 /nfs/dbraw/zinc/32/62/44/569326244.db2.gz GCJFWMWZHWISAZ-UHFFFAOYSA-N 1 0 402.567 5.480 50 0 HKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1cccs1)c1ccc(OC(C)C)cc1 ZINC000002256919 569326384 /nfs/dbraw/zinc/32/63/84/569326384.db2.gz MOHXSJOGIDJNSF-SIKLNZKXSA-N 1 0 409.595 6.417 50 0 HKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1cccs1)c1ccc(OC(C)C)cc1 ZINC000002256920 569326435 /nfs/dbraw/zinc/32/64/35/569326435.db2.gz MOHXSJOGIDJNSF-UGKGYDQZSA-N 1 0 409.595 6.417 50 0 HKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1cccs1)c1ccc(OC(C)C)cc1 ZINC000002256921 569326446 /nfs/dbraw/zinc/32/64/46/569326446.db2.gz MOHXSJOGIDJNSF-DENIHFKCSA-N 1 0 409.595 6.417 50 0 HKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1cccs1)c1ccc(OC(C)C)cc1 ZINC000002256922 569326412 /nfs/dbraw/zinc/32/64/12/569326412.db2.gz MOHXSJOGIDJNSF-KNQAVFIVSA-N 1 0 409.595 6.417 50 0 HKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 ZINC000002279497 569327970 /nfs/dbraw/zinc/32/79/70/569327970.db2.gz VQXWYGNBHFCFQG-UHFFFAOYSA-N 1 0 421.570 5.132 50 0 HKAARO CCC(C)(C)c1ccc(OCCCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 ZINC000002293656 569369222 /nfs/dbraw/zinc/36/92/22/569369222.db2.gz LLMRINXPTOCORC-UHFFFAOYSA-N 1 0 421.649 6.700 50 0 HKAARO C[NH+](C)CCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002295528 569369383 /nfs/dbraw/zinc/36/93/83/569369383.db2.gz CKGZOBAEXBDXCB-UHFFFAOYSA-N 1 0 417.582 5.149 50 0 HKAARO CCCCc1nc2sc3c(ncnc3NCC[NH+](CC)CC)c2c2c1CCCC2 ZINC000002299548 569369957 /nfs/dbraw/zinc/36/99/57/569369957.db2.gz LTTZSCFVWVCPOF-UHFFFAOYSA-N 1 0 411.619 5.215 50 0 HKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002324384 569375391 /nfs/dbraw/zinc/37/53/91/569375391.db2.gz FRKUVFRVEMJAME-QFIPXVFZSA-N 1 0 406.570 5.712 50 0 HKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002324386 569375412 /nfs/dbraw/zinc/37/54/12/569375412.db2.gz FRKUVFRVEMJAME-JOCHJYFZSA-N 1 0 406.570 5.712 50 0 HKAARO CC[NH+](CC)CCCNc1nc(SC(C)C)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002333087 569375877 /nfs/dbraw/zinc/37/58/77/569375877.db2.gz BAMARGBQGCAFBL-UHFFFAOYSA-N 1 0 422.664 5.187 50 0 HKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002355798 569385302 /nfs/dbraw/zinc/38/53/02/569385302.db2.gz BHIQMLDPFKTVLT-UHFFFAOYSA-N 1 0 424.328 5.136 50 0 HKAARO CCc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002385239 557342656 /nfs/dbraw/zinc/34/26/56/557342656.db2.gz LDHRSDILZXDTJU-MUUNZHRXSA-N 1 0 411.569 5.566 50 0 HKAARO COc1ccccc1[N+]1=C2CCCCCN2C[C@@]1(O)c1ccc(-c2ccccc2)cc1 ZINC000002385241 557342648 /nfs/dbraw/zinc/34/26/48/557342648.db2.gz QXEFJTDATMWXKM-HHHXNRCGSA-N 1 0 413.541 5.013 50 0 HKAARO CCCCSc1nc2sc3c(c2c(NCC[NH+](CC)CC)n1)CC(C)(C)OC3 ZINC000002398416 569394645 /nfs/dbraw/zinc/39/46/45/569394645.db2.gz CLFSTXVCWKJODP-UHFFFAOYSA-N 1 0 422.664 5.189 50 0 HKAARO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(SCC[NH+](C)C)n1 ZINC000002400565 569395420 /nfs/dbraw/zinc/39/54/20/569395420.db2.gz IZWNZBGIAAFIBW-UHFFFAOYSA-N 1 0 418.657 5.227 50 0 HKAARO CCCCc1nc2sc3c(ncnc3NCCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002412122 569396968 /nfs/dbraw/zinc/39/69/68/569396968.db2.gz OJNCCOLJPOOVMG-UHFFFAOYSA-N 1 0 411.619 5.215 50 0 HKAARO CC[NH+](CC)Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000002419166 569397626 /nfs/dbraw/zinc/39/76/26/569397626.db2.gz QLJKULLHBGHQDQ-UHFFFAOYSA-N 1 0 407.366 6.302 50 0 HKAARO CCCSc1nc2sc3c(c2c(NCCC[NH+](CC)CC)n1)CC(C)(C)OC3 ZINC000002439210 569400170 /nfs/dbraw/zinc/40/01/70/569400170.db2.gz GHHULRSDMYJYOW-UHFFFAOYSA-N 1 0 422.664 5.189 50 0 HKAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)nc1 ZINC000002441922 557347903 /nfs/dbraw/zinc/34/79/03/557347903.db2.gz SQFMCTNAQIVXEQ-UHFFFAOYSA-N 1 0 421.928 5.136 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002454008 569406548 /nfs/dbraw/zinc/40/65/48/569406548.db2.gz CLZPICLJLJUYME-SANMLTNESA-N 1 0 407.529 5.933 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002454009 569406531 /nfs/dbraw/zinc/40/65/31/569406531.db2.gz CLZPICLJLJUYME-AREMUKBSSA-N 1 0 407.529 5.933 50 0 HKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000002454043 569406576 /nfs/dbraw/zinc/40/65/76/569406576.db2.gz JWEWFXZTLACCEX-DEOSSOPVSA-N 1 0 421.512 5.653 50 0 HKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000002454044 569406493 /nfs/dbraw/zinc/40/64/93/569406493.db2.gz JWEWFXZTLACCEX-XMMPIXPASA-N 1 0 421.512 5.653 50 0 HKAARO COc1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCCCC2)cc1OC ZINC000002472534 557351119 /nfs/dbraw/zinc/35/11/19/557351119.db2.gz HRCFEMOJDWYOBQ-UHFFFAOYSA-N 1 0 401.510 5.158 50 0 HKAARO CC(C)CCN1C=C/C(=C\c2cc[n+](CCC(C)C)c3ccccc23)c2ccccc21 ZINC000002509999 132255318 /nfs/dbraw/zinc/25/53/18/132255318.db2.gz OPYVFVSPWOXGSM-UHFFFAOYSA-N 1 0 411.613 7.094 50 0 HKAARO CCCN1c2ccccc2S/C1=C\C=C\C=C\c1sc2ccccc2[n+]1CCC ZINC000002545321 557355666 /nfs/dbraw/zinc/35/56/66/557355666.db2.gz XJZXHBYIBXUEMY-UHFFFAOYSA-N 1 0 419.639 7.032 50 0 HKAARO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000002580976 557358024 /nfs/dbraw/zinc/35/80/24/557358024.db2.gz WYDUDCFIXKXWER-HXUWFJFHSA-N 1 0 406.448 5.111 50 0 HKAARO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000002580977 557358031 /nfs/dbraw/zinc/35/80/31/557358031.db2.gz UQEDWFQMSLBDKO-HXUWFJFHSA-N 1 0 406.448 5.111 50 0 HKAARO Clc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002587027 557358538 /nfs/dbraw/zinc/35/85/38/557358538.db2.gz FOISYPNWBJFEEO-AUFJSOOLSA-N 1 0 409.320 5.774 50 0 HKAARO Clc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002587029 557358569 /nfs/dbraw/zinc/35/85/69/557358569.db2.gz FOISYPNWBJFEEO-CZIOWHBQSA-N 1 0 409.320 5.774 50 0 HKAARO Cc1ccc(-n2cc(-c3ccc(Br)cc3)[n+]3c2CCc2ccccc2-3)cc1 ZINC000002597904 557359070 /nfs/dbraw/zinc/35/90/70/557359070.db2.gz MCFQLVRQVLQKOH-UHFFFAOYSA-N 1 0 416.342 5.591 50 0 HKAARO Clc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCCCC3)cc1 ZINC000002597977 557359142 /nfs/dbraw/zinc/35/91/42/557359142.db2.gz HHBBLQHEUKLZSX-UHFFFAOYSA-N 1 0 402.743 5.574 50 0 HKAARO Cc1ccccc1[N+]1=C2SCCCN2C[C@@]1(O)c1ccc(C2CCCCC2)cc1 ZINC000002598008 557359144 /nfs/dbraw/zinc/35/91/44/557359144.db2.gz DGPSFXYBYSCLHC-RUZDIDTESA-N 1 0 407.603 5.213 50 0 HKAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000002624222 568788790 /nfs/dbraw/zinc/78/87/90/568788790.db2.gz DGKDLJCTMUKITD-LJQANCHMSA-N 1 0 410.385 5.171 50 0 HKAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000002624223 568788895 /nfs/dbraw/zinc/78/88/95/568788895.db2.gz DGKDLJCTMUKITD-IBGZPJMESA-N 1 0 410.385 5.171 50 0 HKAARO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624232 568788793 /nfs/dbraw/zinc/78/87/93/568788793.db2.gz SEQOJOCOZSWYNG-IBGZPJMESA-N 1 0 416.348 5.455 50 0 HKAARO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624234 568788838 /nfs/dbraw/zinc/78/88/38/568788838.db2.gz SEQOJOCOZSWYNG-LJQANCHMSA-N 1 0 416.348 5.455 50 0 HKAARO COc1ccc(CC[N@H+](C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000002633057 568791395 /nfs/dbraw/zinc/79/13/95/568791395.db2.gz KCGHOHPPYMYYOS-UHFFFAOYSA-N 1 0 413.602 5.679 50 0 HKAARO Fc1ccc(-c2csc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c23)cc1 ZINC000002636113 568792226 /nfs/dbraw/zinc/79/22/26/568792226.db2.gz XMLRNOWSSLJNNE-UHFFFAOYSA-N 1 0 418.541 5.574 50 0 HKAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@@H](C)[C@H]4C)cc3)sc2c1 ZINC000002636215 568792202 /nfs/dbraw/zinc/79/22/02/568792202.db2.gz WVIZROQDRHVFIV-MBOZVWFJSA-N 1 0 407.583 5.625 50 0 HKAARO O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002654573 568797606 /nfs/dbraw/zinc/79/76/06/568797606.db2.gz WMPTWWRNUHTWJI-UKILVPOCSA-N 1 0 423.503 5.099 50 0 HKAARO O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002654574 568797468 /nfs/dbraw/zinc/79/74/68/568797468.db2.gz WMPTWWRNUHTWJI-ZCYQVOJMSA-N 1 0 423.503 5.099 50 0 HKAARO O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002654575 568797483 /nfs/dbraw/zinc/79/74/83/568797483.db2.gz WMPTWWRNUHTWJI-ILBGXUMGSA-N 1 0 423.503 5.099 50 0 HKAARO O[C@H](C[NH2+][C@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002654576 568797578 /nfs/dbraw/zinc/79/75/78/568797578.db2.gz WMPTWWRNUHTWJI-NOZRDPDXSA-N 1 0 423.503 5.099 50 0 HKAARO CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000002655692 560587303 /nfs/dbraw/zinc/58/73/03/560587303.db2.gz VZIBFVOJYFDHSI-UHFFFAOYSA-N 1 0 423.601 5.131 50 0 HKAARO CC[NH+](CC)CCCNc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000002662375 568799578 /nfs/dbraw/zinc/79/95/78/568799578.db2.gz XUWOIBCWICMGSP-UHFFFAOYSA-N 1 0 415.006 5.644 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000002667943 568800183 /nfs/dbraw/zinc/80/01/83/568800183.db2.gz IPUMJBKOPIFZHC-OAQYLSRUSA-N 1 0 412.530 5.925 50 0 HKAARO CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667958 568800293 /nfs/dbraw/zinc/80/02/93/568800293.db2.gz XBYYHVRHEKKRLT-HSZRJFAPSA-N 1 0 414.033 7.216 50 0 HKAARO CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667959 568800306 /nfs/dbraw/zinc/80/03/06/568800306.db2.gz XBYYHVRHEKKRLT-QHCPKHFHSA-N 1 0 414.033 7.216 50 0 HKAARO FC(F)Oc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000002684305 568800851 /nfs/dbraw/zinc/80/08/51/568800851.db2.gz VWBJWUHWYHBKQY-UHFFFAOYSA-N 1 0 423.405 5.778 50 0 HKAARO FC(F)Oc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)cc1 ZINC000002684319 568800951 /nfs/dbraw/zinc/80/09/51/568800951.db2.gz DFNODSOREICOOT-UHFFFAOYSA-N 1 0 421.414 5.361 50 0 HKAARO CCCC[NH+](CCCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002689980 557368104 /nfs/dbraw/zinc/36/81/04/557368104.db2.gz WQTGUMAIQDDDSG-IBGZPJMESA-N 1 0 421.412 6.364 50 0 HKAARO CCCC[NH+](CCCC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002689981 557368106 /nfs/dbraw/zinc/36/81/06/557368106.db2.gz WQTGUMAIQDDDSG-LJQANCHMSA-N 1 0 421.412 6.364 50 0 HKAARO Cc1nc2cc(NC(=O)c3ccccc3Br)ccc2n1-c1ccccc1 ZINC000002699338 568801411 /nfs/dbraw/zinc/80/14/11/568801411.db2.gz CGNZNUZQPYVILH-UHFFFAOYSA-N 1 0 406.283 5.349 50 0 HKAARO CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000002708328 568802000 /nfs/dbraw/zinc/80/20/00/568802000.db2.gz ITSBRVBWXGZQMO-JOCHJYFZSA-N 1 0 400.006 6.826 50 0 HKAARO CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000002708331 568801946 /nfs/dbraw/zinc/80/19/46/568801946.db2.gz ITSBRVBWXGZQMO-QFIPXVFZSA-N 1 0 400.006 6.826 50 0 HKAARO COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000002708357 568801921 /nfs/dbraw/zinc/80/19/21/568801921.db2.gz NCXSPZYKHJGFIK-XMMPIXPASA-N 1 0 409.614 6.571 50 0 HKAARO C[NH+](C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714597 557749716 /nfs/dbraw/zinc/74/97/16/557749716.db2.gz HMENFTWLDDLMQQ-UHFFFAOYSA-N 1 0 405.933 5.105 50 0 HKAARO CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714755 568802355 /nfs/dbraw/zinc/80/23/55/568802355.db2.gz DQHYXSHLCWPYDZ-UHFFFAOYSA-N 1 0 424.479 6.369 50 0 HKAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+](C)C)cc1Cl ZINC000002714888 557749681 /nfs/dbraw/zinc/74/96/81/557749681.db2.gz YPFGJBXRKHSYGO-UHFFFAOYSA-N 1 0 419.960 5.413 50 0 HKAARO C[NH+](C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714982 557750010 /nfs/dbraw/zinc/75/00/10/557750010.db2.gz FIESONXUXFQCAP-UHFFFAOYSA-N 1 0 405.933 5.105 50 0 HKAARO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730386 557754077 /nfs/dbraw/zinc/75/40/77/557754077.db2.gz YTNCEMCEWPYBEM-CYBMUJFWSA-N 1 0 420.365 5.715 50 0 HKAARO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730387 557754071 /nfs/dbraw/zinc/75/40/71/557754071.db2.gz YTNCEMCEWPYBEM-ZDUSSCGKSA-N 1 0 420.365 5.715 50 0 HKAARO CCc1ccc(OCc2ccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)o2)cc1 ZINC000002758658 568806828 /nfs/dbraw/zinc/80/68/28/568806828.db2.gz AUQANAPGYMLWRF-UHFFFAOYSA-N 1 0 418.537 5.659 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002761279 557755478 /nfs/dbraw/zinc/75/54/78/557755478.db2.gz ZRTZWUHONCHQGS-GMAHTHKFSA-N 1 0 410.517 5.067 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000002786610 557759141 /nfs/dbraw/zinc/75/91/41/557759141.db2.gz HXAXUNQVCWXUSI-JOCHJYFZSA-N 1 0 417.597 5.429 50 0 HKAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cccc(OCC(C)C)c2)nc2ccccc21 ZINC000002789344 557759445 /nfs/dbraw/zinc/75/94/45/557759445.db2.gz FEYWCHSZOSNSSY-UHFFFAOYSA-N 1 0 419.569 5.008 50 0 HKAARO CCc1ccc(OCc2ccc(C3N=NC(=S)N3CCC[NH+](CC)CC)cc2)cc1 ZINC000002792740 557764554 /nfs/dbraw/zinc/76/45/54/557764554.db2.gz BBFKHVLIPSQQBV-UHFFFAOYSA-N 1 0 424.614 5.107 50 0 HKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(C)cc2C)cc1 ZINC000002793087 557764581 /nfs/dbraw/zinc/76/45/81/557764581.db2.gz CGQDPWUKPLXHRD-UHFFFAOYSA-N 1 0 424.614 5.162 50 0 HKAARO CCCCOc1cccc(-c2cc(C(=O)NCC[NH+](CC)CC)c3ccccc3n2)c1 ZINC000002794847 557765144 /nfs/dbraw/zinc/76/51/44/557765144.db2.gz GLKBUWKGRAVRRO-UHFFFAOYSA-N 1 0 419.569 5.152 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(C)cc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000002810391 557393739 /nfs/dbraw/zinc/39/37/39/557393739.db2.gz JDMQXNFPAAYYAJ-XZOQPEGZSA-N 1 0 411.586 5.481 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(C)cc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000002810392 557393674 /nfs/dbraw/zinc/39/36/74/557393674.db2.gz JDMQXNFPAAYYAJ-GOTSBHOMSA-N 1 0 411.586 5.481 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(C)cc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000002810393 557393705 /nfs/dbraw/zinc/39/37/05/557393705.db2.gz JDMQXNFPAAYYAJ-DHIUTWEWSA-N 1 0 411.586 5.481 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(C)cc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000002810394 557393716 /nfs/dbraw/zinc/39/37/16/557393716.db2.gz JDMQXNFPAAYYAJ-PKTZIBPZSA-N 1 0 411.586 5.481 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000002841869 560732380 /nfs/dbraw/zinc/73/23/80/560732380.db2.gz XYPNUENSPBQCLH-UHFFFAOYSA-N 1 0 400.522 5.504 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Br)ccc1Cl ZINC000002841918 557401433 /nfs/dbraw/zinc/40/14/33/557401433.db2.gz NFPHDSCYIDUVIT-UHFFFAOYSA-N 1 0 407.739 5.341 50 0 HKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000002845496 557402483 /nfs/dbraw/zinc/40/24/83/557402483.db2.gz XWGVLJGJMAMXJF-UHFFFAOYSA-N 1 0 423.343 6.410 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000002863703 557411345 /nfs/dbraw/zinc/41/13/45/557411345.db2.gz PQZSZROWAXXIDH-UHFFFAOYSA-N 1 0 402.321 5.871 50 0 HKAARO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000002863727 557411409 /nfs/dbraw/zinc/41/14/09/557411409.db2.gz WEBMSXRKAAPFGL-UHFFFAOYSA-N 1 0 416.348 6.261 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002863777 557411441 /nfs/dbraw/zinc/41/14/41/557411441.db2.gz IJWKHSKUJISHMW-KRWDZBQOSA-N 1 0 424.928 5.217 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002863778 557411435 /nfs/dbraw/zinc/41/14/35/557411435.db2.gz IJWKHSKUJISHMW-QGZVFWFLSA-N 1 0 424.928 5.217 50 0 HKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002884595 557421467 /nfs/dbraw/zinc/42/14/67/557421467.db2.gz MKJXXBQLJHWHBS-UHFFFAOYSA-N 1 0 424.463 5.010 50 0 HKAARO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1F ZINC000002886521 557422368 /nfs/dbraw/zinc/42/23/68/557422368.db2.gz GWHJFGPDVLVBPL-UHFFFAOYSA-N 1 0 404.485 5.227 50 0 HKAARO CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C[NH+]2CCCCC2)CCCC3)cc1 ZINC000002888989 557768168 /nfs/dbraw/zinc/76/81/68/557768168.db2.gz SDXDSCPAABUZJF-UHFFFAOYSA-N 1 0 410.627 6.163 50 0 HKAARO CCOc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907857 568815236 /nfs/dbraw/zinc/81/52/36/568815236.db2.gz ARBWNMMMKNSWOV-NSOVKSMOSA-N 1 0 415.577 5.591 50 0 HKAARO CCOc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907859 568815320 /nfs/dbraw/zinc/81/53/20/568815320.db2.gz ARBWNMMMKNSWOV-WUFINQPMSA-N 1 0 415.577 5.591 50 0 HKAARO CCOc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907861 568815229 /nfs/dbraw/zinc/81/52/29/568815229.db2.gz ARBWNMMMKNSWOV-IZLXSDGUSA-N 1 0 415.577 5.591 50 0 HKAARO CCOc1ccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907863 568815240 /nfs/dbraw/zinc/81/52/40/568815240.db2.gz ARBWNMMMKNSWOV-VSGBNLITSA-N 1 0 415.577 5.591 50 0 HKAARO Cc1c(Cl)cccc1NC(=S)N(Cc1ccco1)C1CC[NH+](C(C)C)CC1 ZINC000002912846 568816113 /nfs/dbraw/zinc/81/61/13/568816113.db2.gz KTOZEUVVLMRKLP-UHFFFAOYSA-N 1 0 405.995 5.313 50 0 HKAARO CSc1cccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C(C)C)CC2)c1 ZINC000002913178 568816101 /nfs/dbraw/zinc/81/61/01/568816101.db2.gz KLPZDJRSYFALPV-UHFFFAOYSA-N 1 0 403.617 5.073 50 0 HKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(-c4ccccc4)cc2)[C@H]3CCC1 ZINC000002928797 557427792 /nfs/dbraw/zinc/42/77/92/557427792.db2.gz GTWNFVDDVBNOIG-NDEPHWFRSA-N 1 0 406.573 6.900 50 0 HKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(-c4ccccc4)cc2)[C@@H]3CCC1 ZINC000002928798 557427808 /nfs/dbraw/zinc/42/78/08/557427808.db2.gz GTWNFVDDVBNOIG-MUUNZHRXSA-N 1 0 406.573 6.900 50 0 HKAARO CC(C)CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933470 568818484 /nfs/dbraw/zinc/81/84/84/568818484.db2.gz QIKYNTDSVWJSKR-UHFFFAOYSA-N 1 0 400.394 5.746 50 0 HKAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002933959 568818509 /nfs/dbraw/zinc/81/85/09/568818509.db2.gz OECFPBZZVCHFBV-IBGZPJMESA-N 1 0 420.582 5.196 50 0 HKAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002933960 568818531 /nfs/dbraw/zinc/81/85/31/568818531.db2.gz OECFPBZZVCHFBV-LJQANCHMSA-N 1 0 420.582 5.196 50 0 HKAARO Clc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C2CCCCC2)cc1 ZINC000002955351 568829720 /nfs/dbraw/zinc/82/97/20/568829720.db2.gz QDBQEZSZNMXTIJ-UHFFFAOYSA-N 1 0 406.961 5.922 50 0 HKAARO CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000002965078 557432091 /nfs/dbraw/zinc/43/20/91/557432091.db2.gz DALKRTJBJIKPPL-UHFFFAOYSA-N 1 0 412.577 5.956 50 0 HKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968246 557432266 /nfs/dbraw/zinc/43/22/66/557432266.db2.gz NCJMNXZJBOYBDD-HSZRJFAPSA-N 1 0 404.598 6.123 50 0 HKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968247 557432393 /nfs/dbraw/zinc/43/23/93/557432393.db2.gz NCJMNXZJBOYBDD-QHCPKHFHSA-N 1 0 404.598 6.123 50 0 HKAARO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000002979111 557434680 /nfs/dbraw/zinc/43/46/80/557434680.db2.gz FVDPSMRUGBYGRY-UHFFFAOYSA-N 1 0 424.588 5.340 50 0 HKAARO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000002982247 557435825 /nfs/dbraw/zinc/43/58/25/557435825.db2.gz DRUXYWQOLUXBMH-UHFFFAOYSA-N 1 0 412.577 5.380 50 0 HKAARO O[C@@H](COc1ccccc1Br)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002993271 557438216 /nfs/dbraw/zinc/43/82/16/557438216.db2.gz HOQDVCBJSMMTBK-LJQANCHMSA-N 1 0 410.396 5.156 50 0 HKAARO O[C@H](COc1ccccc1Br)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002993272 557438108 /nfs/dbraw/zinc/43/81/08/557438108.db2.gz HOQDVCBJSMMTBK-IBGZPJMESA-N 1 0 410.396 5.156 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(OC)cc1 ZINC000003029458 568843149 /nfs/dbraw/zinc/84/31/49/568843149.db2.gz COURPEGVOOISHZ-UHFFFAOYSA-N 1 0 424.614 5.107 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(C)cc1C ZINC000003029459 568843125 /nfs/dbraw/zinc/84/31/25/568843125.db2.gz FCUUDVCZKMRKLO-UHFFFAOYSA-N 1 0 422.642 5.716 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(C)c(C)c1 ZINC000003029461 568843195 /nfs/dbraw/zinc/84/31/95/568843195.db2.gz FITXFVBAWQIZSR-UHFFFAOYSA-N 1 0 422.642 5.716 50 0 HKAARO CCc1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2c[nH]c3ccccc23)cc1 ZINC000003029489 568843161 /nfs/dbraw/zinc/84/31/61/568843161.db2.gz YANPJRBILABWEH-UHFFFAOYSA-N 1 0 422.642 5.661 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(C)c1 ZINC000003029490 568843129 /nfs/dbraw/zinc/84/31/29/568843129.db2.gz YMIYPPILCHPNDL-UHFFFAOYSA-N 1 0 408.615 5.407 50 0 HKAARO CCc1cccc(NC(=S)N(CCC[NH+](CC)CC)Cc2c[nH]c3ccccc23)c1 ZINC000003029491 568843190 /nfs/dbraw/zinc/84/31/90/568843190.db2.gz CHBKFEWNXZEUNT-UHFFFAOYSA-N 1 0 422.642 5.661 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(C)c1C ZINC000003029494 568843132 /nfs/dbraw/zinc/84/31/32/568843132.db2.gz RFIVHCISSCURDX-UHFFFAOYSA-N 1 0 422.642 5.716 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(OC)c1 ZINC000003029495 568843162 /nfs/dbraw/zinc/84/31/62/568843162.db2.gz ZAXFLAZEHAPZPW-UHFFFAOYSA-N 1 0 424.614 5.107 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccccc1C ZINC000003029498 568843202 /nfs/dbraw/zinc/84/32/02/568843202.db2.gz TZMKSVZCDFXLEI-UHFFFAOYSA-N 1 0 408.615 5.407 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(C)cc1 ZINC000003029503 568843141 /nfs/dbraw/zinc/84/31/41/568843141.db2.gz MICAIUCQQOOQOY-UHFFFAOYSA-N 1 0 408.615 5.407 50 0 HKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cc(C)ccc1C ZINC000003029528 568843289 /nfs/dbraw/zinc/84/32/89/568843289.db2.gz AKEROMIHIJYMID-UHFFFAOYSA-N 1 0 422.642 5.716 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[NH+](CC)CC)Cc1c[nH]c2ccccc12 ZINC000003029529 568843367 /nfs/dbraw/zinc/84/33/67/568843367.db2.gz YEMRHNBAVIJXRQ-UHFFFAOYSA-N 1 0 422.642 5.661 50 0 HKAARO O=C(NCCC[NH+]1CCCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003040034 568846546 /nfs/dbraw/zinc/84/65/46/568846546.db2.gz ZKOBEVAUFBWFFT-UHFFFAOYSA-N 1 0 423.557 5.131 50 0 HKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000003044926 568848574 /nfs/dbraw/zinc/84/85/74/568848574.db2.gz KPHBOHFKJBQDHO-UHFFFAOYSA-N 1 0 419.569 5.152 50 0 HKAARO CCCC[N@H+](CC)CCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000003045023 568848664 /nfs/dbraw/zinc/84/86/64/568848664.db2.gz PPRAWTIOWJGDOG-UHFFFAOYSA-N 1 0 419.569 5.152 50 0 HKAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](C)C[NH+](CC)CC)c3ccccc3n2)cc1 ZINC000003045788 568848989 /nfs/dbraw/zinc/84/89/89/568848989.db2.gz MDUCUJWTMURNCN-IBGZPJMESA-N 1 0 419.569 5.008 50 0 HKAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)C[NH+](CC)CC)c3ccccc3n2)cc1 ZINC000003045790 568849034 /nfs/dbraw/zinc/84/90/34/568849034.db2.gz MDUCUJWTMURNCN-LJQANCHMSA-N 1 0 419.569 5.008 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCCC3)c3ccccc3n2)cc1C ZINC000003046023 568848980 /nfs/dbraw/zinc/84/89/80/568848980.db2.gz RYJQFDFQXIBXSQ-UHFFFAOYSA-N 1 0 401.554 5.124 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1C ZINC000003046042 557787150 /nfs/dbraw/zinc/78/71/50/557787150.db2.gz CCFKEMMUIFSRQG-OAQYLSRUSA-N 1 0 415.581 5.513 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1C ZINC000003046047 568849048 /nfs/dbraw/zinc/84/90/48/568849048.db2.gz CCFKEMMUIFSRQG-NRFANRHFSA-N 1 0 415.581 5.513 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1C ZINC000003046079 568849005 /nfs/dbraw/zinc/84/90/05/568849005.db2.gz CMGWVSKDDVECJX-HXUWFJFHSA-N 1 0 401.554 5.123 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1C ZINC000003046083 568848981 /nfs/dbraw/zinc/84/89/81/568848981.db2.gz CMGWVSKDDVECJX-FQEVSTJZSA-N 1 0 401.554 5.123 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1C ZINC000003046088 568848986 /nfs/dbraw/zinc/84/89/86/568848986.db2.gz DHZVKACSLKWKBX-UHFFFAOYSA-N 1 0 423.560 5.380 50 0 HKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000003046094 568849009 /nfs/dbraw/zinc/84/90/09/568849009.db2.gz BCSCGJCDGMEEEZ-UHFFFAOYSA-N 1 0 417.597 5.761 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCCC3)c3ccccc3n2)cc1C ZINC000003046098 568849035 /nfs/dbraw/zinc/84/90/35/568849035.db2.gz OLAFLRAGFRZNTC-UHFFFAOYSA-N 1 0 401.554 5.124 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1cc(Nc2ccc(C)c(C)c2)nc2ccccc21 ZINC000003056248 568851794 /nfs/dbraw/zinc/85/17/94/568851794.db2.gz VTKZXAMWGBSGDJ-UHFFFAOYSA-N 1 0 404.558 5.057 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000003058556 568852133 /nfs/dbraw/zinc/85/21/33/568852133.db2.gz HFHCNNAFAISMFA-DNVCBOLYSA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000003058565 568852122 /nfs/dbraw/zinc/85/21/22/568852122.db2.gz DEERAPCNHYEUGD-DNVCBOLYSA-N 1 0 410.027 5.020 50 0 HKAARO C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003058570 568852114 /nfs/dbraw/zinc/85/21/14/568852114.db2.gz YSPYAUOSLUZZSQ-DNVCBOLYSA-N 1 0 413.553 5.377 50 0 HKAARO CCc1cccc(CC)c1NC(=S)N1CCC([N@H+](C)C2CCCCCC2)CC1 ZINC000003061017 568852746 /nfs/dbraw/zinc/85/27/46/568852746.db2.gz QZNZYMUQTYJRHV-UHFFFAOYSA-N 1 0 401.664 5.627 50 0 HKAARO CCCC[N@H+](CC)Cc1ccc(CNC(=S)Nc2cc(Cl)ccc2OC)o1 ZINC000003061696 568852809 /nfs/dbraw/zinc/85/28/09/568852809.db2.gz AJMVQMAOBFHLHO-UHFFFAOYSA-N 1 0 409.983 5.050 50 0 HKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003078628 568854034 /nfs/dbraw/zinc/85/40/34/568854034.db2.gz MAIAKFREYFMMMC-VWLOTQADSA-N 1 0 420.556 5.858 50 0 HKAARO CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1([NH3+])CCCCC1 ZINC000003097886 558748932 /nfs/dbraw/zinc/74/89/32/558748932.db2.gz CXTRZRNCZCZICX-SYJIQKIWSA-N 1 0 408.377 5.399 50 0 HKAARO CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1([NH3+])CCCCC1 ZINC000003097888 558748904 /nfs/dbraw/zinc/74/89/04/558748904.db2.gz CXTRZRNCZCZICX-VMSUTVGLSA-N 1 0 408.377 5.399 50 0 HKAARO Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccccc2-3)cc1 ZINC000003103770 557446941 /nfs/dbraw/zinc/44/69/41/557446941.db2.gz XZBVPFUULDNEMJ-UHFFFAOYSA-N 1 0 416.342 5.591 50 0 HKAARO Cc1ccc2cc(C)c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000003110718 560589064 /nfs/dbraw/zinc/58/90/64/560589064.db2.gz NBZSQLOOTLEDQC-UHFFFAOYSA-N 1 0 407.561 5.763 50 0 HKAARO CC(C)(C)c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1 ZINC000003172094 568859523 /nfs/dbraw/zinc/85/95/23/568859523.db2.gz GLONXGXZSXKWIW-UHFFFAOYSA-N 1 0 405.525 5.662 50 0 HKAARO CN(C1CC[NH+](C)CC1)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174686 568859765 /nfs/dbraw/zinc/85/97/65/568859765.db2.gz AQQKAPFXTFFAJR-UHFFFAOYSA-N 1 0 410.523 6.035 50 0 HKAARO CCC[NH+](CCC)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003192740 568860780 /nfs/dbraw/zinc/86/07/80/568860780.db2.gz QWFIEAOOLWYDES-NRFANRHFSA-N 1 0 410.385 5.582 50 0 HKAARO CCC[NH+](CCC)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003192741 568860753 /nfs/dbraw/zinc/86/07/53/568860753.db2.gz QWFIEAOOLWYDES-OAQYLSRUSA-N 1 0 410.385 5.582 50 0 HKAARO Cc1c(C(=O)c2ccc(Cl)cc2)n2c3ccccc3sc2[n+]1-c1ccccc1 ZINC000003205166 568861632 /nfs/dbraw/zinc/86/16/32/568861632.db2.gz QFPQIBQCPLMIIV-UHFFFAOYSA-N 1 0 403.914 5.624 50 0 HKAARO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC000003205887 568861647 /nfs/dbraw/zinc/86/16/47/568861647.db2.gz PGVMNNWZNBVWKC-QFIPXVFZSA-N 1 0 422.396 5.725 50 0 HKAARO C[N@H+](C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC000003205890 568861609 /nfs/dbraw/zinc/86/16/09/568861609.db2.gz PGVMNNWZNBVWKC-JOCHJYFZSA-N 1 0 422.396 5.725 50 0 HKAARO Clc1ccccc1/C=C1\CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccccc1Cl ZINC000003207539 568846374 /nfs/dbraw/zinc/84/63/74/568846374.db2.gz CQVVXEGDIXUDOK-NKSQBSFPSA-N 1 0 409.320 5.774 50 0 HKAARO Clc1ccccc1/C=C1\CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccccc1Cl ZINC000003207544 568846367 /nfs/dbraw/zinc/84/63/67/568846367.db2.gz CQVVXEGDIXUDOK-FFXXTYGZSA-N 1 0 409.320 5.774 50 0 HKAARO C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211458 568862176 /nfs/dbraw/zinc/86/21/76/568862176.db2.gz DDJIYRDWTPYEFY-SJCJKPOMSA-N 1 0 414.427 5.567 50 0 HKAARO C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211460 568862124 /nfs/dbraw/zinc/86/21/24/568862124.db2.gz DDJIYRDWTPYEFY-PXAZEXFGSA-N 1 0 414.427 5.567 50 0 HKAARO C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211462 568862181 /nfs/dbraw/zinc/86/21/81/568862181.db2.gz DDJIYRDWTPYEFY-YVEFUNNKSA-N 1 0 414.427 5.567 50 0 HKAARO C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211463 568862147 /nfs/dbraw/zinc/86/21/47/568862147.db2.gz DDJIYRDWTPYEFY-SJKOYZFVSA-N 1 0 414.427 5.567 50 0 HKAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000003214288 568846877 /nfs/dbraw/zinc/84/68/77/568846877.db2.gz MZOHLGDGWPCRDN-UHFFFAOYSA-N 1 0 409.533 5.250 50 0 HKAARO CC(C)n1cc(C(C)(C)C)[n+]2c1-c1ccccc1[C@@]21OC(C(C)(C)C)=CN1C(C)C ZINC000003218830 568862905 /nfs/dbraw/zinc/86/29/05/568862905.db2.gz PQPYVVBMHQOHON-SANMLTNESA-N 1 0 408.610 5.921 50 0 HKAARO CC(C)n1cc(C(C)(C)C)[n+]2c1-c1ccccc1[C@]21OC(C(C)(C)C)=CN1C(C)C ZINC000003218831 568862958 /nfs/dbraw/zinc/86/29/58/568862958.db2.gz PQPYVVBMHQOHON-AREMUKBSSA-N 1 0 408.610 5.921 50 0 HKAARO CC(C)C[NH+](CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CC(C)C ZINC000003220925 568863534 /nfs/dbraw/zinc/86/35/34/568863534.db2.gz JCDATQYJRMAQLH-UHFFFAOYSA-N 1 0 400.950 5.124 50 0 HKAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000003225690 568864007 /nfs/dbraw/zinc/86/40/07/568864007.db2.gz AFSNNYQCXYYERO-UHFFFAOYSA-N 1 0 411.549 5.373 50 0 HKAARO CCc1ccc(/C=C2\CCC(C(=S)Nc3ccc(F)cc3)=C2[NH+]2CCCCC2)cc1 ZINC000003236085 560886790 /nfs/dbraw/zinc/88/67/90/560886790.db2.gz WAGJBNHXMHEQTE-DYTRJAOYSA-N 1 0 420.597 6.745 50 0 HKAARO C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003244365 568866923 /nfs/dbraw/zinc/86/69/23/568866923.db2.gz FDXSPUBLHJZPBW-MBSDFSHPSA-N 1 0 406.551 5.496 50 0 HKAARO C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003244366 568848126 /nfs/dbraw/zinc/84/81/26/568848126.db2.gz FDXSPUBLHJZPBW-JPYJTQIMSA-N 1 0 406.551 5.496 50 0 HKAARO C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003244368 568848144 /nfs/dbraw/zinc/84/81/44/568848144.db2.gz FDXSPUBLHJZPBW-FDDCHVKYSA-N 1 0 406.551 5.496 50 0 HKAARO C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003244369 568866929 /nfs/dbraw/zinc/86/69/29/568866929.db2.gz FDXSPUBLHJZPBW-WZONZLPQSA-N 1 0 406.551 5.496 50 0 HKAARO Clc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCS3)cc1 ZINC000003251682 568848954 /nfs/dbraw/zinc/84/89/54/568848954.db2.gz LCTKRLOISAWXRQ-UHFFFAOYSA-N 1 0 406.756 5.344 50 0 HKAARO C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003265078 568869733 /nfs/dbraw/zinc/86/97/33/568869733.db2.gz SNXQPXANNGJLPP-SGTLLEGYSA-N 1 0 422.978 5.711 50 0 HKAARO C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003265081 568849459 /nfs/dbraw/zinc/84/94/59/568849459.db2.gz SNXQPXANNGJLPP-XIKOKIGWSA-N 1 0 422.978 5.711 50 0 HKAARO C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003265083 568849471 /nfs/dbraw/zinc/84/94/71/568849471.db2.gz SNXQPXANNGJLPP-KPZWWZAWSA-N 1 0 422.978 5.711 50 0 HKAARO C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003265085 568869701 /nfs/dbraw/zinc/86/97/01/568869701.db2.gz SNXQPXANNGJLPP-KZULUSFZSA-N 1 0 422.978 5.711 50 0 HKAARO FC(F)(F)c1ccc2c(c1)[n+](Cc1ccc(Cl)cc1Cl)c1n2CCCCC1 ZINC000003270649 568870473 /nfs/dbraw/zinc/87/04/73/568870473.db2.gz LBRWRCKWIXIBEH-UHFFFAOYSA-N 1 0 414.278 6.029 50 0 HKAARO FC(F)(F)c1ccc2c(c1)[n+](Cc1ccc(Cl)c(Cl)c1)c1n2CCCCC1 ZINC000003270650 568870505 /nfs/dbraw/zinc/87/05/05/568870505.db2.gz FMHLXXMPDOSOKF-UHFFFAOYSA-N 1 0 414.278 6.029 50 0 HKAARO O=C(c1ccc(Cl)nc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000003282989 568851654 /nfs/dbraw/zinc/85/16/54/568851654.db2.gz STRJXGZOWDRFFB-UHFFFAOYSA-N 1 0 405.929 5.046 50 0 HKAARO Cc1ccc2nc(-c3ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc3)sc2c1 ZINC000003285688 568872381 /nfs/dbraw/zinc/87/23/81/568872381.db2.gz ZXRMLXZCYMGYEM-UHFFFAOYSA-N 1 0 412.628 5.146 50 0 HKAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003287786 568872619 /nfs/dbraw/zinc/87/26/19/568872619.db2.gz GWLSXTHLFUTAKD-OAQYLSRUSA-N 1 0 422.981 6.097 50 0 HKAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003287788 568872709 /nfs/dbraw/zinc/87/27/09/568872709.db2.gz GWLSXTHLFUTAKD-NRFANRHFSA-N 1 0 422.981 6.097 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@H]3CCCc4ccccc43)nc(=O)c2c1-c1ccccc1 ZINC000003288703 568872862 /nfs/dbraw/zinc/87/28/62/568872862.db2.gz SURDDPLBAWLVPX-IBGZPJMESA-N 1 0 401.535 5.127 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@@H]3CCCc4ccccc43)nc(=O)c2c1-c1ccccc1 ZINC000003288705 568852503 /nfs/dbraw/zinc/85/25/03/568852503.db2.gz SURDDPLBAWLVPX-LJQANCHMSA-N 1 0 401.535 5.127 50 0 HKAARO CCC(C)(C)C1CCC2(CC1)[NH2+]C[C@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000003289855 568852563 /nfs/dbraw/zinc/85/25/63/568852563.db2.gz XRISYWSZCMHWOD-VSGCJZCHSA-N 1 0 421.028 7.378 50 0 HKAARO CCC(C)(C)C1CCC2(CC1)[NH2+]C[C@@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000003289858 568872842 /nfs/dbraw/zinc/87/28/42/568872842.db2.gz XRISYWSZCMHWOD-XESUAWAGSA-N 1 0 421.028 7.378 50 0 HKAARO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1 ZINC000003301260 560592856 /nfs/dbraw/zinc/59/28/56/560592856.db2.gz MGULYASYBHLAMH-UHFFFAOYSA-O 1 0 417.598 6.212 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000003304423 568877213 /nfs/dbraw/zinc/87/72/13/568877213.db2.gz MJSFIRRVPYLULN-QFIPXVFZSA-N 1 0 417.578 5.099 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000003304425 568877255 /nfs/dbraw/zinc/87/72/55/568877255.db2.gz MJSFIRRVPYLULN-JOCHJYFZSA-N 1 0 417.578 5.099 50 0 HKAARO Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)c1 ZINC000003308074 568877570 /nfs/dbraw/zinc/87/75/70/568877570.db2.gz KNVVOHXFAXIDDC-UHFFFAOYSA-N 1 0 418.338 5.592 50 0 HKAARO CSc1ccc(C[N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000003337948 568883191 /nfs/dbraw/zinc/88/31/91/568883191.db2.gz NXDKGKAEGNEFPJ-AOYPEHQESA-N 1 0 421.606 5.316 50 0 HKAARO FC(F)Sc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003339362 568883333 /nfs/dbraw/zinc/88/33/33/568883333.db2.gz VENJVNJVJCLACW-MRXNPFEDSA-N 1 0 411.543 5.108 50 0 HKAARO FC(F)Sc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003339364 568883371 /nfs/dbraw/zinc/88/33/71/568883371.db2.gz VENJVNJVJCLACW-INIZCTEOSA-N 1 0 411.543 5.108 50 0 HKAARO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003340021 560593641 /nfs/dbraw/zinc/59/36/41/560593641.db2.gz MUYSSYKBEFBWBP-IBGZPJMESA-N 1 0 412.990 5.554 50 0 HKAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003340026 568883584 /nfs/dbraw/zinc/88/35/84/568883584.db2.gz MUYSSYKBEFBWBP-LJQANCHMSA-N 1 0 412.990 5.554 50 0 HKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000003352778 568886005 /nfs/dbraw/zinc/88/60/05/568886005.db2.gz KBAVGWYKFOUHMU-IBGZPJMESA-N 1 0 410.867 5.961 50 0 HKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000003352780 568886038 /nfs/dbraw/zinc/88/60/38/568886038.db2.gz KBAVGWYKFOUHMU-LJQANCHMSA-N 1 0 410.867 5.961 50 0 HKAARO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000003353093 568886085 /nfs/dbraw/zinc/88/60/85/568886085.db2.gz VNTYXCYNSOBNHH-UHFFFAOYSA-N 1 0 408.567 5.405 50 0 HKAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003354953 568886445 /nfs/dbraw/zinc/88/64/45/568886445.db2.gz LCQPPQCOCDIGLU-NRFANRHFSA-N 1 0 406.913 5.738 50 0 HKAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003354955 568886503 /nfs/dbraw/zinc/88/65/03/568886503.db2.gz LCQPPQCOCDIGLU-OAQYLSRUSA-N 1 0 406.913 5.738 50 0 HKAARO C[NH+](C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000003357358 568887201 /nfs/dbraw/zinc/88/72/01/568887201.db2.gz SAUNGZVTJIQDKR-UHFFFAOYSA-N 1 0 419.594 5.630 50 0 HKAARO C[NH+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000003362943 568888493 /nfs/dbraw/zinc/88/84/93/568888493.db2.gz BKXNZSUAIVOLLM-UHFFFAOYSA-N 1 0 402.416 5.206 50 0 HKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000003376680 568891538 /nfs/dbraw/zinc/89/15/38/568891538.db2.gz UZKYHNYVGWMSQH-UHFFFAOYSA-N 1 0 403.929 5.294 50 0 HKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1)C[C@@H](C)CC2 ZINC000003377678 560595553 /nfs/dbraw/zinc/59/55/53/560595553.db2.gz WQIMAKRVQZQHEN-JKSUJKDBSA-N 1 0 420.619 5.079 50 0 HKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1)C[C@H](C)CC2 ZINC000003377682 568891500 /nfs/dbraw/zinc/89/15/00/568891500.db2.gz WQIMAKRVQZQHEN-HZPDHXFCSA-N 1 0 420.619 5.079 50 0 HKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]C1CCCCCCC1)C[C@@H](C)CC2 ZINC000003377684 560595546 /nfs/dbraw/zinc/59/55/46/560595546.db2.gz WQIMAKRVQZQHEN-HOTGVXAUSA-N 1 0 420.619 5.079 50 0 HKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]C1CCCCCCC1)C[C@H](C)CC2 ZINC000003377687 560595525 /nfs/dbraw/zinc/59/55/25/560595525.db2.gz WQIMAKRVQZQHEN-CVEARBPZSA-N 1 0 420.619 5.079 50 0 HKAARO Cc1ccc(SCC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C ZINC000003384188 568893029 /nfs/dbraw/zinc/89/30/29/568893029.db2.gz FXVKDSVEFSJFBT-NRFANRHFSA-N 1 0 401.616 5.031 50 0 HKAARO Cc1ccc(SCC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C ZINC000003384191 568893155 /nfs/dbraw/zinc/89/31/55/568893155.db2.gz FXVKDSVEFSJFBT-OAQYLSRUSA-N 1 0 401.616 5.031 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000003413502 568858629 /nfs/dbraw/zinc/85/86/29/568858629.db2.gz KSCFAZBUAIMLBH-UHFFFAOYSA-N 1 0 415.965 5.164 50 0 HKAARO C[NH+](C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(SC(F)F)cc1 ZINC000003421984 568900031 /nfs/dbraw/zinc/90/00/31/568900031.db2.gz KHGLQHIIRGJDIY-UHFFFAOYSA-N 1 0 409.571 5.152 50 0 HKAARO CC[NH+](CC)Cc1cc(OC)ccc1Oc1ncnc2sc3c(c21)CCCCC3 ZINC000003440142 568903438 /nfs/dbraw/zinc/90/34/38/568903438.db2.gz FFGFXONYQYDSCM-UHFFFAOYSA-N 1 0 411.571 5.603 50 0 HKAARO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441556 560594827 /nfs/dbraw/zinc/59/48/27/560594827.db2.gz DSZGNJFNCOPFRU-ICSRJNTNSA-N 1 0 406.364 5.053 50 0 HKAARO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441557 560594794 /nfs/dbraw/zinc/59/47/94/560594794.db2.gz DSZGNJFNCOPFRU-AZUAARDMSA-N 1 0 406.364 5.053 50 0 HKAARO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441560 568903814 /nfs/dbraw/zinc/90/38/14/568903814.db2.gz DSZGNJFNCOPFRU-QUCCMNQESA-N 1 0 406.364 5.053 50 0 HKAARO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441564 568903838 /nfs/dbraw/zinc/90/38/38/568903838.db2.gz DSZGNJFNCOPFRU-UYAOXDASSA-N 1 0 406.364 5.053 50 0 HKAARO Cc1c2ccc3ccccc3c2oc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003455363 568906362 /nfs/dbraw/zinc/90/63/62/568906362.db2.gz QCCHONZWLKYMLJ-UHFFFAOYSA-N 1 0 404.554 5.813 50 0 HKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@H]3CCCC[N@H+]3C)cc12 ZINC000003457073 568906458 /nfs/dbraw/zinc/90/64/58/568906458.db2.gz IVNSCENAXLPIGE-MRXNPFEDSA-N 1 0 417.962 5.080 50 0 HKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@@H]3CCCC[N@H+]3C)cc12 ZINC000003457075 568906449 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SJWBMXSVICJNKM-LJQANCHMSA-N 1 0 401.645 5.378 50 0 HKAARO Cc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000003665453 568924279 /nfs/dbraw/zinc/92/42/79/568924279.db2.gz SJWBMXSVICJNKM-IBGZPJMESA-N 1 0 401.645 5.378 50 0 HKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)c1 ZINC000003665478 568924123 /nfs/dbraw/zinc/92/41/23/568924123.db2.gz ZSLMWYPZUZRZML-UHFFFAOYSA-N 1 0 401.645 5.378 50 0 HKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)c1 ZINC000003665480 568924207 /nfs/dbraw/zinc/92/42/07/568924207.db2.gz PNSPGKWJOIAMQH-UHFFFAOYSA-N 1 0 401.645 5.522 50 0 HKAARO Cc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000003665485 568924287 /nfs/dbraw/zinc/92/42/87/568924287.db2.gz OFVKJJVROSTLBI-LJQANCHMSA-N 1 0 401.645 5.378 50 0 HKAARO Cc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000003665487 568924242 /nfs/dbraw/zinc/92/42/42/568924242.db2.gz OFVKJJVROSTLBI-IBGZPJMESA-N 1 0 401.645 5.378 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000003665540 568924284 /nfs/dbraw/zinc/92/42/84/568924284.db2.gz DIGBEKDPKSDLKU-UHFFFAOYSA-N 1 0 415.672 5.632 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000003665541 568924268 /nfs/dbraw/zinc/92/42/68/568924268.db2.gz JXTDASCOABVZKU-UHFFFAOYSA-N 1 0 401.645 5.386 50 0 HKAARO CCc1ccccc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665543 568924255 /nfs/dbraw/zinc/92/42/55/568924255.db2.gz KGJXHOBUSIORCS-UHFFFAOYSA-N 1 0 401.645 5.386 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665544 568924210 /nfs/dbraw/zinc/92/42/10/568924210.db2.gz KCAARRUMNOOFBY-LJQANCHMSA-N 1 0 415.672 5.632 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665546 568924138 /nfs/dbraw/zinc/92/41/38/568924138.db2.gz KCAARRUMNOOFBY-IBGZPJMESA-N 1 0 415.672 5.632 50 0 HKAARO Cc1cc(C)c(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)c(C)c1 ZINC000003665571 568924219 /nfs/dbraw/zinc/92/42/19/568924219.db2.gz NJYXWNKZZBCKMT-UHFFFAOYSA-N 1 0 415.672 5.748 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cc(C)cc1C ZINC000003665572 568924202 /nfs/dbraw/zinc/92/42/02/568924202.db2.gz SWJXDRGZQXGEKH-UHFFFAOYSA-N 1 0 417.688 5.994 50 0 HKAARO Cc1cc(C)c(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2ccco2)c(C)c1 ZINC000003665580 568924160 /nfs/dbraw/zinc/92/41/60/568924160.db2.gz ZVXWMXCXUYPZBA-UHFFFAOYSA-N 1 0 413.631 5.670 50 0 HKAARO CCc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000003665594 568924133 /nfs/dbraw/zinc/92/41/33/568924133.db2.gz OUPZZHXSXWZYDN-UHFFFAOYSA-N 1 0 415.672 5.694 50 0 HKAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000003665604 568924275 /nfs/dbraw/zinc/92/42/75/568924275.db2.gz KMNZMGJCFAJEQM-UHFFFAOYSA-N 1 0 415.672 5.686 50 0 HKAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000003665605 568924153 /nfs/dbraw/zinc/92/41/53/568924153.db2.gz RMYZEQTUKSWUFW-UHFFFAOYSA-N 1 0 401.645 5.440 50 0 HKAARO Cc1cccc(C)c1NC(=S)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665608 568924263 /nfs/dbraw/zinc/92/42/63/568924263.db2.gz SZRIXWGOKZELSU-UHFFFAOYSA-N 1 0 401.645 5.440 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cccc1C ZINC000003665609 568924128 /nfs/dbraw/zinc/92/41/28/568924128.db2.gz IQTCIZIIAVAECJ-UHFFFAOYSA-N 1 0 403.661 5.686 50 0 HKAARO Cc1cccc(C)c1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665611 568924224 /nfs/dbraw/zinc/92/42/24/568924224.db2.gz LXZMFSHXZFPWRX-GOSISDBHSA-N 1 0 415.672 5.686 50 0 HKAARO Cc1cccc(C)c1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665613 568924149 /nfs/dbraw/zinc/92/41/49/568924149.db2.gz LXZMFSHXZFPWRX-SFHVURJKSA-N 1 0 415.672 5.686 50 0 HKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2ccco2)cc1Cl ZINC000003665628 568924198 /nfs/dbraw/zinc/92/41/98/568924198.db2.gz IBYWDVZBEQRSIQ-UHFFFAOYSA-N 1 0 421.994 5.017 50 0 HKAARO COc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)cc1Cl ZINC000003665629 568924169 /nfs/dbraw/zinc/92/41/69/568924169.db2.gz CGKOGTWRWNOJSB-UHFFFAOYSA-N 1 0 421.994 5.017 50 0 HKAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1cc(C)c(Cl)cc1OC ZINC000003665678 568924187 /nfs/dbraw/zinc/92/41/87/568924187.db2.gz ZJNCCHHYMQWSFP-UHFFFAOYSA-N 1 0 424.010 5.181 50 0 HKAARO Cc1cc(C)cc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)c1 ZINC000003665692 568924342 /nfs/dbraw/zinc/92/43/42/568924342.db2.gz YVHZYXKDHRMJIA-UHFFFAOYSA-N 1 0 415.672 5.686 50 0 HKAARO Cc1cc(C)cc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2cccs2)c1 ZINC000003665693 568924394 /nfs/dbraw/zinc/92/43/94/568924394.db2.gz WQJCHUWCANRECR-UHFFFAOYSA-N 1 0 401.645 5.440 50 0 HKAARO Cc1cc(C)cc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)c1 ZINC000003665696 568924478 /nfs/dbraw/zinc/92/44/78/568924478.db2.gz XCCBYZIKWKHTTN-UHFFFAOYSA-N 1 0 401.645 5.440 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1cc(C)cc(C)c1 ZINC000003665697 568924351 /nfs/dbraw/zinc/92/43/51/568924351.db2.gz ZDDFNHCVENFDCK-UHFFFAOYSA-N 1 0 403.661 5.686 50 0 HKAARO Cc1cc(C)cc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000003665699 568924454 /nfs/dbraw/zinc/92/44/54/568924454.db2.gz FMAJPZLUHPVWBP-GOSISDBHSA-N 1 0 415.672 5.686 50 0 HKAARO Cc1cc(C)cc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000003665701 568924399 /nfs/dbraw/zinc/92/43/99/568924399.db2.gz FMAJPZLUHPVWBP-SFHVURJKSA-N 1 0 415.672 5.686 50 0 HKAARO CSc1cccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)c1 ZINC000003665715 568924323 /nfs/dbraw/zinc/92/43/23/568924323.db2.gz OOLYLVYLOAMEJS-UHFFFAOYSA-N 1 0 419.685 5.545 50 0 HKAARO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000003665725 568924332 /nfs/dbraw/zinc/92/43/32/568924332.db2.gz YTBLSJJCZNSNKI-UHFFFAOYSA-N 1 0 408.036 5.477 50 0 HKAARO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665726 568924336 /nfs/dbraw/zinc/92/43/36/568924336.db2.gz XXGUMIZYXDQDFI-UHFFFAOYSA-N 1 0 422.063 5.867 50 0 HKAARO S=C(Nc1ccccc1Cl)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665728 568924438 /nfs/dbraw/zinc/92/44/38/568924438.db2.gz UELGWKAFVZFXQJ-UHFFFAOYSA-N 1 0 408.036 5.477 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccccc1Cl ZINC000003665729 568924470 /nfs/dbraw/zinc/92/44/70/568924470.db2.gz CWCCXSFLGAWFFQ-UHFFFAOYSA-N 1 0 410.052 5.723 50 0 HKAARO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665733 568924391 /nfs/dbraw/zinc/92/43/91/568924391.db2.gz HFRDDNQFXYMVNB-UHFFFAOYSA-N 1 0 405.995 5.398 50 0 HKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1cccs1 ZINC000003672760 568924599 /nfs/dbraw/zinc/92/45/99/568924599.db2.gz IWLSAKSCALGVLR-UHFFFAOYSA-N 1 0 418.002 5.903 50 0 HKAARO Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003918428 557503507 /nfs/dbraw/zinc/50/35/07/557503507.db2.gz GXESHMAMLJKROZ-IAPPQJPRSA-N 1 0 413.561 5.729 50 0 world HKAARO CCN1c2ccccc2S/C1=C\C=C\C=C\C=C\c1sc2ccccc2[n+]1CC ZINC000003921266 557503363 /nfs/dbraw/zinc/50/33/63/557503363.db2.gz UMTQICYFVVKJFV-UHFFFAOYSA-N 1 0 417.623 6.808 50 0 HKAARO Cc1cccc2c1CC[C@H](C[NH+]1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O ZINC000003964905 557503879 /nfs/dbraw/zinc/50/38/79/557503879.db2.gz OHRDCQFCAWLDBP-SBUREZEXSA-N 1 0 418.408 6.167 50 0 in-vivo HKAARO C[NH+](C)[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003993903 568931503 /nfs/dbraw/zinc/93/15/03/568931503.db2.gz RVCDIGZZCIKTFM-QHAWAJNXSA-N 1 0 405.460 5.724 50 0 HKAARO CCCCCCOc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004007601 132269658 /nfs/dbraw/zinc/26/96/58/132269658.db2.gz QUEIFTINCFCXNF-UHFFFAOYSA-N 1 0 420.519 5.987 50 0 HKAARO Cc1cccc(C)c1-n1nnnc1C(C)(C)N(Cc1ccccc1)Cc1ccccc1 ZINC000004017207 568933705 /nfs/dbraw/zinc/93/37/05/568933705.db2.gz GXSUAOYEXRRLNZ-UHFFFAOYSA-N 1 0 411.553 5.217 50 0 HKAARO COc1ccc(C[N@H+](CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 ZINC000004025196 568933858 /nfs/dbraw/zinc/93/38/58/568933858.db2.gz ORDANFJUNVLVQI-HHHXNRCGSA-N 1 0 409.614 6.114 50 0 biogenic HKAARO COc1ccc(C[N@H+](CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 ZINC000004025199 568933974 /nfs/dbraw/zinc/93/39/74/568933974.db2.gz ORDANFJUNVLVQI-MHZLTWQESA-N 1 0 409.614 6.114 50 0 biogenic HKAARO COc1ccc(-c2cc(C3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)[nH]n2)cc1 ZINC000004025203 568933896 /nfs/dbraw/zinc/93/38/96/568933896.db2.gz LISDNWVPJBZAES-UHFFFAOYSA-N 1 0 415.459 5.484 50 0 HKAARO CCC[N@H+](CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004027714 568878294 /nfs/dbraw/zinc/87/82/94/568878294.db2.gz RJLPRFHBCYYQNW-RSXGOPAZSA-N 1 0 409.614 6.286 50 0 biogenic HKAARO CCC[N@H+](CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004027715 568878299 /nfs/dbraw/zinc/87/82/99/568878299.db2.gz RJLPRFHBCYYQNW-AOYPEHQESA-N 1 0 409.614 6.286 50 0 biogenic HKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(C)cc2)CCO1 ZINC000004028156 568934079 /nfs/dbraw/zinc/93/40/79/568934079.db2.gz FILLLJFDCLPDFW-CLJLJLNGSA-N 1 0 411.586 5.409 50 0 biogenic HKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(C)cc2)CCO1 ZINC000004028157 568934005 /nfs/dbraw/zinc/93/40/05/568934005.db2.gz FILLLJFDCLPDFW-IZZNHLLZSA-N 1 0 411.586 5.409 50 0 biogenic HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 ZINC000004028644 568934170 /nfs/dbraw/zinc/93/41/70/568934170.db2.gz YEXCLAFCAHCLGV-AJYHTQRMSA-N 1 0 411.586 5.285 50 0 biogenic HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 ZINC000004028645 568934145 /nfs/dbraw/zinc/93/41/45/568934145.db2.gz YEXCLAFCAHCLGV-DUNDMGMKSA-N 1 0 411.586 5.285 50 0 biogenic HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@H]4Cc4ccco4)[C@H]3C=C12 ZINC000004028646 568934043 /nfs/dbraw/zinc/93/40/43/568934043.db2.gz YEXCLAFCAHCLGV-WGFVJLKQSA-N 1 0 411.586 5.285 50 0 biogenic HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H]4CCCC[C@H]4Cc4ccco4)[C@H]3C=C12 ZINC000004028647 568934151 /nfs/dbraw/zinc/93/41/51/568934151.db2.gz YEXCLAFCAHCLGV-RYEONFAYSA-N 1 0 411.586 5.285 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004028799 568934161 /nfs/dbraw/zinc/93/41/61/568934161.db2.gz XENNHJMHYSULQK-XZOQPEGZSA-N 1 0 411.586 5.248 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004028800 568934089 /nfs/dbraw/zinc/93/40/89/568934089.db2.gz XENNHJMHYSULQK-GOTSBHOMSA-N 1 0 411.586 5.248 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004028801 568934160 /nfs/dbraw/zinc/93/41/60/568934160.db2.gz XENNHJMHYSULQK-DHIUTWEWSA-N 1 0 411.586 5.248 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004028802 568934101 /nfs/dbraw/zinc/93/41/01/568934101.db2.gz XENNHJMHYSULQK-PKTZIBPZSA-N 1 0 411.586 5.248 50 0 biogenic HKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1 ZINC000004029419 568934394 /nfs/dbraw/zinc/93/43/94/568934394.db2.gz JAQCOYLHOAAQMC-XMMPIXPASA-N 1 0 418.924 5.644 50 0 biogenic HKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1 ZINC000004029420 568934368 /nfs/dbraw/zinc/93/43/68/568934368.db2.gz JAQCOYLHOAAQMC-DEOSSOPVSA-N 1 0 418.924 5.644 50 0 biogenic HKAARO CC1(C)C[C@H]([C@@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000004029664 568934507 /nfs/dbraw/zinc/93/45/07/568934507.db2.gz JYERWXVLRXXYAJ-XZOQPEGZSA-N 1 0 409.570 5.349 50 0 biogenic HKAARO CC1(C)C[C@@H]([C@@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000004029665 568934518 /nfs/dbraw/zinc/93/45/18/568934518.db2.gz JYERWXVLRXXYAJ-GOTSBHOMSA-N 1 0 409.570 5.349 50 0 biogenic HKAARO CC1(C)C[C@H]([C@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000004029666 568934441 /nfs/dbraw/zinc/93/44/41/568934441.db2.gz JYERWXVLRXXYAJ-DHIUTWEWSA-N 1 0 409.570 5.349 50 0 biogenic HKAARO CC1(C)C[C@@H]([C@H](CCC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000004029667 568934388 /nfs/dbraw/zinc/93/43/88/568934388.db2.gz JYERWXVLRXXYAJ-PKTZIBPZSA-N 1 0 409.570 5.349 50 0 biogenic HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000004042279 568935968 /nfs/dbraw/zinc/93/59/68/568935968.db2.gz UQMJNEBBJGQUEV-JZBYRABOSA-N 1 0 407.598 5.255 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC ZINC000004042704 568880022 /nfs/dbraw/zinc/88/00/22/568880022.db2.gz GWPSIOLHWSVBIJ-IZZNHLLZSA-N 1 0 411.586 5.265 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC ZINC000004042707 568879995 /nfs/dbraw/zinc/87/99/95/568879995.db2.gz GWPSIOLHWSVBIJ-UIOOFZCWSA-N 1 0 411.586 5.265 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004042709 568880030 /nfs/dbraw/zinc/88/00/30/568880030.db2.gz GWPSIOLHWSVBIJ-CLJLJLNGSA-N 1 0 411.586 5.265 50 0 biogenic HKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004042710 568880017 /nfs/dbraw/zinc/88/00/17/568880017.db2.gz GWPSIOLHWSVBIJ-FTJBHMTQSA-N 1 0 411.586 5.265 50 0 biogenic HKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004043139 568936075 /nfs/dbraw/zinc/93/60/75/568936075.db2.gz XCCHMKUUKILYOF-RRPNLBNLSA-N 1 0 409.614 6.035 50 0 biogenic HKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004043140 568936030 /nfs/dbraw/zinc/93/60/30/568936030.db2.gz XCCHMKUUKILYOF-SVBPBHIXSA-N 1 0 409.614 6.035 50 0 biogenic HKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004043145 568935992 /nfs/dbraw/zinc/93/59/92/568935992.db2.gz XCCHMKUUKILYOF-KAYWLYCHSA-N 1 0 409.614 6.035 50 0 biogenic HKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004043147 568935986 /nfs/dbraw/zinc/93/59/86/568935986.db2.gz XCCHMKUUKILYOF-SXOMAYOGSA-N 1 0 409.614 6.035 50 0 biogenic HKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000004043564 568936121 /nfs/dbraw/zinc/93/61/21/568936121.db2.gz WBAACEJLSDGPQG-AREMUKBSSA-N 1 0 412.533 5.607 50 0 biogenic HKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000004043565 568936077 /nfs/dbraw/zinc/93/60/77/568936077.db2.gz WBAACEJLSDGPQG-SANMLTNESA-N 1 0 412.533 5.607 50 0 biogenic HKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004043677 568936173 /nfs/dbraw/zinc/93/61/73/568936173.db2.gz AASBORAVPLVJOH-JTOATPROSA-N 1 0 407.598 5.399 50 0 biogenic HKAARO C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004044055 568936254 /nfs/dbraw/zinc/93/62/54/568936254.db2.gz IYSJJGZMQMNANX-FHYOZOBSSA-N 1 0 423.553 5.211 50 0 HKAARO CCC(C)(C)c1ccc(OCCCC[NH2+]C[C@H](O)C(F)(F)F)c(C(C)(C)CC)c1 ZINC000004050526 568936438 /nfs/dbraw/zinc/93/64/38/568936438.db2.gz NZYIKJKNVHYVNZ-FQEVSTJZSA-N 1 0 417.556 5.734 50 0 HKAARO CCC(C)(C)c1ccc(OCCCC[NH2+]C[C@@H](O)C(F)(F)F)c(C(C)(C)CC)c1 ZINC000004050527 568936365 /nfs/dbraw/zinc/93/63/65/568936365.db2.gz NZYIKJKNVHYVNZ-HXUWFJFHSA-N 1 0 417.556 5.734 50 0 HKAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1OC ZINC000004061934 568881569 /nfs/dbraw/zinc/88/15/69/568881569.db2.gz KLLUXTMIHCIHJO-GXBHKBKGSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000004064391 568937301 /nfs/dbraw/zinc/93/73/01/568937301.db2.gz KHTQBWLJEZPZAP-ZICWRXTKSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c1 ZINC000004064910 568937602 /nfs/dbraw/zinc/93/76/02/568937602.db2.gz NGTYIDRNJTUKEY-ZICWRXTKSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccccc2)nc2cc(Cl)ccc21 ZINC000004071060 569255314 /nfs/dbraw/zinc/25/53/14/569255314.db2.gz JOQGBAQMZAEQDR-NRMGUKERSA-N 1 0 423.004 6.376 50 0 HKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccccc2)nc2cc(Cl)ccc21 ZINC000004071061 569255294 /nfs/dbraw/zinc/25/52/94/569255294.db2.gz JOQGBAQMZAEQDR-XAVZPLJISA-N 1 0 423.004 6.376 50 0 HKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000004073532 568937998 /nfs/dbraw/zinc/93/79/98/568937998.db2.gz IZOZKBXFTWQRFR-HLMLHLEXSA-N 1 0 409.545 5.373 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1OC ZINC000004073718 568937973 /nfs/dbraw/zinc/93/79/73/568937973.db2.gz KNNBNGASMJWSSX-LOSJGSFVSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1OC ZINC000004073719 568937886 /nfs/dbraw/zinc/93/78/86/568937886.db2.gz KNNBNGASMJWSSX-DQEYMECFSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004073720 568938013 /nfs/dbraw/zinc/93/80/13/568938013.db2.gz KNNBNGASMJWSSX-JWQCQUIFSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004073722 568938004 /nfs/dbraw/zinc/93/80/04/568938004.db2.gz KNNBNGASMJWSSX-RPBOFIJWSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004084282 568939627 /nfs/dbraw/zinc/93/96/27/568939627.db2.gz NQFRHAWKZVTFKT-FGZHOGPDSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004084283 568939630 /nfs/dbraw/zinc/93/96/30/568939630.db2.gz NQFRHAWKZVTFKT-FCHUYYIVSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004084285 568939704 /nfs/dbraw/zinc/93/97/04/568939704.db2.gz NQFRHAWKZVTFKT-YADHBBJMSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CCOc1ccc(C[NH2+]CC[C@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004084287 568939716 /nfs/dbraw/zinc/93/97/16/568939716.db2.gz NQFRHAWKZVTFKT-VXKWHMMOSA-N 1 0 405.623 5.831 50 0 biogenic HKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000004084569 568939874 /nfs/dbraw/zinc/93/98/74/568939874.db2.gz XNUXTLWJUVVMKR-HLMLHLEXSA-N 1 0 423.984 5.663 50 0 biogenic HKAARO COc1cc(C[NH2+]CC[C@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000004088805 568941270 /nfs/dbraw/zinc/94/12/70/568941270.db2.gz SELYHBJLSFPMJC-XZOQPEGZSA-N 1 0 419.650 6.220 50 0 biogenic HKAARO COc1cc(C[NH2+]CC[C@@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000004088809 568941367 /nfs/dbraw/zinc/94/13/67/568941367.db2.gz SELYHBJLSFPMJC-DHIUTWEWSA-N 1 0 419.650 6.220 50 0 biogenic HKAARO COc1cc(C[NH2+]CC[C@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000004088814 568941308 /nfs/dbraw/zinc/94/13/08/568941308.db2.gz SELYHBJLSFPMJC-GOTSBHOMSA-N 1 0 419.650 6.220 50 0 biogenic HKAARO COc1cc(C[NH2+]CC[C@@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000004088817 568941339 /nfs/dbraw/zinc/94/13/39/568941339.db2.gz SELYHBJLSFPMJC-PKTZIBPZSA-N 1 0 419.650 6.220 50 0 biogenic HKAARO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000004098868 291289992 /nfs/dbraw/zinc/28/99/92/291289992.db2.gz QASFUMOKHFSJGL-LAFRSMQTSA-N 1 0 411.630 5.002 50 0 biogenic,in-vivo HKAARO CCCC[NH+](CCCC)Cc1cn2c(nnc2-c2ccc(Br)cc2)s1 ZINC000004107099 568909529 /nfs/dbraw/zinc/90/95/29/568909529.db2.gz YCWPGSOEVYKEEZ-UHFFFAOYSA-N 1 0 421.408 5.623 50 0 HKAARO c1c(C23CC4CC(CC(C4)C2)C3)nc2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000004109395 557514471 /nfs/dbraw/zinc/51/44/71/557514471.db2.gz RWMHZEVUSJWMOH-UHFFFAOYSA-N 1 0 402.586 5.243 50 0 HKAARO CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004122647 568945001 /nfs/dbraw/zinc/94/50/01/568945001.db2.gz XLHGOLNHHGWGMX-UHFFFAOYSA-N 1 0 409.599 5.097 50 0 HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]C(C)(C)C ZINC000004139854 568946180 /nfs/dbraw/zinc/94/61/80/568946180.db2.gz OOFSAWSYBOPCGL-HSZRJFAPSA-N 1 0 412.577 6.033 50 0 HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]C(C)(C)C ZINC000004139855 568946171 /nfs/dbraw/zinc/94/61/71/568946171.db2.gz OOFSAWSYBOPCGL-QHCPKHFHSA-N 1 0 412.577 6.033 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000004150805 568917004 /nfs/dbraw/zinc/91/70/04/568917004.db2.gz HXAXUNQVCWXUSI-QFIPXVFZSA-N 1 0 417.597 5.429 50 0 HKAARO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1cccs1 ZINC000004174187 557524438 /nfs/dbraw/zinc/52/44/38/557524438.db2.gz FCXTZKKSJPFTBA-SELVFMLMSA-N 1 0 411.611 6.030 50 0 HKAARO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1cccs1 ZINC000004174188 557524442 /nfs/dbraw/zinc/52/44/42/557524442.db2.gz FCXTZKKSJPFTBA-KNEUKCCGSA-N 1 0 411.611 6.030 50 0 HKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1cccs1 ZINC000004174198 557524369 /nfs/dbraw/zinc/52/43/69/557524369.db2.gz XLGNFBTVWOKHSS-UHFFFAOYSA-N 1 0 410.377 5.521 50 0 HKAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177092 568949040 /nfs/dbraw/zinc/94/90/40/568949040.db2.gz WIYMWUUWENZZLH-HSZRJFAPSA-N 1 0 410.989 5.033 50 0 HKAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177093 568948996 /nfs/dbraw/zinc/94/89/96/568948996.db2.gz WIYMWUUWENZZLH-QHCPKHFHSA-N 1 0 410.989 5.033 50 0 HKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000004179951 568949189 /nfs/dbraw/zinc/94/91/89/568949189.db2.gz ZRTZWUHONCHQGS-GGAORHGYSA-N 1 0 410.517 5.067 50 0 HKAARO CCCCCC[NH+](CCCCCC)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000004181138 568949462 /nfs/dbraw/zinc/94/94/62/568949462.db2.gz JGORWRWOQYTHJH-UHFFFAOYSA-N 1 0 409.618 6.125 50 0 HKAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+](CC)CC)c1ccccc1S2 ZINC000004182572 535412105 /nfs/dbraw/zinc/41/21/05/535412105.db2.gz PQXGNJKJMFUPPM-UHFFFAOYSA-N 1 0 413.543 5.116 50 0 in-man HKAARO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)C2CCCCCCCCCCC2)cc1 ZINC000004184492 568928595 /nfs/dbraw/zinc/92/85/95/568928595.db2.gz XRBGFGOAUSUEKJ-UHFFFAOYSA-N 1 0 422.679 5.611 50 0 HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]C1CCCC1 ZINC000004189343 568929162 /nfs/dbraw/zinc/92/91/62/568929162.db2.gz FGNADUILVGVYEB-RUZDIDTESA-N 1 0 424.588 6.177 50 0 HKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]C1CCCC1 ZINC000004189353 568929191 /nfs/dbraw/zinc/92/91/91/568929191.db2.gz FGNADUILVGVYEB-VWLOTQADSA-N 1 0 424.588 6.177 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)[NH+]2CCC(C)CC2)c1C ZINC000004193086 568950567 /nfs/dbraw/zinc/95/05/67/568950567.db2.gz HSTZBRUOWGXBBL-HSZRJFAPSA-N 1 0 419.594 5.834 50 0 HKAARO COc1cccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)c1 ZINC000004193193 568950539 /nfs/dbraw/zinc/95/05/39/568950539.db2.gz XOIOGGPZZNWNLK-UHFFFAOYSA-N 1 0 417.644 5.078 50 0 HKAARO COc1cccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)c1 ZINC000004193195 568950662 /nfs/dbraw/zinc/95/06/62/568950662.db2.gz PUSRIZDGHQHIQW-UHFFFAOYSA-N 1 0 417.644 5.222 50 0 HKAARO COc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000004193206 568950545 /nfs/dbraw/zinc/95/05/45/568950545.db2.gz KSTNRSAECYEGIQ-GOSISDBHSA-N 1 0 417.644 5.078 50 0 HKAARO COc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000004193210 568950644 /nfs/dbraw/zinc/95/06/44/568950644.db2.gz KSTNRSAECYEGIQ-SFHVURJKSA-N 1 0 417.644 5.078 50 0 HKAARO CCc1ccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)cc1 ZINC000004193316 568950625 /nfs/dbraw/zinc/95/06/25/568950625.db2.gz RTUGGMLOSZAQTI-UHFFFAOYSA-N 1 0 415.672 5.776 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(CC)cc1 ZINC000004193339 568950627 /nfs/dbraw/zinc/95/06/27/568950627.db2.gz ABEJESFZJXUBKF-UHFFFAOYSA-N 1 0 403.661 5.632 50 0 HKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)cc1 ZINC000004193614 568950838 /nfs/dbraw/zinc/95/08/38/568950838.db2.gz XEZFWWGGXLFVFR-UHFFFAOYSA-N 1 0 417.644 5.078 50 0 HKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)cc1 ZINC000004193616 568950755 /nfs/dbraw/zinc/95/07/55/568950755.db2.gz CNFVPOXTAFBXGS-UHFFFAOYSA-N 1 0 417.644 5.222 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(OC)cc1 ZINC000004193618 568950781 /nfs/dbraw/zinc/95/07/81/568950781.db2.gz SIWZWTASQHUEOF-UHFFFAOYSA-N 1 0 405.633 5.078 50 0 HKAARO COc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000004193619 568950846 /nfs/dbraw/zinc/95/08/46/568950846.db2.gz VLTXYJZVQVRCEU-GOSISDBHSA-N 1 0 417.644 5.078 50 0 HKAARO COc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000004193620 568950785 /nfs/dbraw/zinc/95/07/85/568950785.db2.gz VLTXYJZVQVRCEU-SFHVURJKSA-N 1 0 417.644 5.078 50 0 HKAARO COc1ccccc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000004193671 568950921 /nfs/dbraw/zinc/95/09/21/568950921.db2.gz IMYFFAOXLUMXIJ-UHFFFAOYSA-N 1 0 417.644 5.078 50 0 HKAARO COc1ccccc1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1cccs1 ZINC000004193675 568950911 /nfs/dbraw/zinc/95/09/11/568950911.db2.gz COWLRLOSKZLFBE-UHFFFAOYSA-N 1 0 417.644 5.222 50 0 HKAARO COc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000004193676 568950984 /nfs/dbraw/zinc/95/09/84/568950984.db2.gz SANDSGUFNJVIOW-GOSISDBHSA-N 1 0 417.644 5.078 50 0 HKAARO COc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000004193677 568950977 /nfs/dbraw/zinc/95/09/77/568950977.db2.gz SANDSGUFNJVIOW-SFHVURJKSA-N 1 0 417.644 5.078 50 0 HKAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1cccs1 ZINC000004193715 568950982 /nfs/dbraw/zinc/95/09/82/568950982.db2.gz XDGORLNVUCCWAW-UHFFFAOYSA-N 1 0 415.672 5.776 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccccc1CC ZINC000004193720 568950972 /nfs/dbraw/zinc/95/09/72/568950972.db2.gz ZARQIJJBTNAXOA-UHFFFAOYSA-N 1 0 403.661 5.632 50 0 HKAARO CCc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000004193842 568950933 /nfs/dbraw/zinc/95/09/33/568950933.db2.gz BBFHXUYHBCZDJR-UHFFFAOYSA-N 1 0 401.645 5.304 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cccc1CC ZINC000004193843 568950905 /nfs/dbraw/zinc/95/09/05/568950905.db2.gz HHRIVVNBLOBIGD-UHFFFAOYSA-N 1 0 417.688 5.940 50 0 HKAARO CCc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000004193844 568950947 /nfs/dbraw/zinc/95/09/47/568950947.db2.gz NYVKTDJXEXTMNV-UHFFFAOYSA-N 1 0 413.631 5.616 50 0 HKAARO CSc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)c1 ZINC000004193933 568950935 /nfs/dbraw/zinc/95/09/35/568950935.db2.gz PQWNLDQPZLWCBA-UHFFFAOYSA-N 1 0 405.658 5.155 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1cccc(SC)c1 ZINC000004193938 568950909 /nfs/dbraw/zinc/95/09/09/568950909.db2.gz KLCCONUMGSYDPR-UHFFFAOYSA-N 1 0 421.701 5.791 50 0 HKAARO CSc1cccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000004193940 568950957 /nfs/dbraw/zinc/95/09/57/568950957.db2.gz NFTMKPKKDRZGQY-UHFFFAOYSA-N 1 0 417.644 5.467 50 0 HKAARO CSc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2ccco2)c1 ZINC000004193946 568950899 /nfs/dbraw/zinc/95/08/99/568950899.db2.gz RGWRRYYIBLUTFR-GOSISDBHSA-N 1 0 417.644 5.323 50 0 HKAARO CSc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)c1 ZINC000004193947 568950949 /nfs/dbraw/zinc/95/09/49/568950949.db2.gz RGWRRYYIBLUTFR-SFHVURJKSA-N 1 0 417.644 5.323 50 0 HKAARO CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000004199112 568951277 /nfs/dbraw/zinc/95/12/77/568951277.db2.gz SBSQPHKKKSELIR-QINSCTOGSA-N 1 0 420.638 5.688 50 0 HKAARO CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000004199114 568951370 /nfs/dbraw/zinc/95/13/70/568951370.db2.gz SBSQPHKKKSELIR-LSRUGUDESA-N 1 0 420.638 5.688 50 0 HKAARO CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000004199115 568951319 /nfs/dbraw/zinc/95/13/19/568951319.db2.gz SBSQPHKKKSELIR-HDDFZTRLSA-N 1 0 420.638 5.688 50 0 HKAARO CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000004199116 568951246 /nfs/dbraw/zinc/95/12/46/568951246.db2.gz SBSQPHKKKSELIR-ZKPSXUTGSA-N 1 0 420.638 5.688 50 0 HKAARO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F ZINC000004222992 557529971 /nfs/dbraw/zinc/52/99/71/557529971.db2.gz VPVLMVSHBDBJAZ-MBBDBFLNSA-N 1 0 423.572 6.108 50 0 HKAARO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F ZINC000004222993 557529822 /nfs/dbraw/zinc/52/98/22/557529822.db2.gz VPVLMVSHBDBJAZ-FVFHPELPSA-N 1 0 423.572 6.108 50 0 HKAARO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000004222994 557529848 /nfs/dbraw/zinc/52/98/48/557529848.db2.gz LXDGMLFEJRPFLQ-ODCRROIESA-N 1 0 419.609 6.359 50 0 HKAARO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000004222995 557529829 /nfs/dbraw/zinc/52/98/29/557529829.db2.gz LXDGMLFEJRPFLQ-DZKAJJGSSA-N 1 0 419.609 6.359 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000004247783 568953575 /nfs/dbraw/zinc/95/35/75/568953575.db2.gz CNXCLIIWQKBUJL-JOCHJYFZSA-N 1 0 408.567 6.032 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000004247784 568953643 /nfs/dbraw/zinc/95/36/43/568953643.db2.gz CNXCLIIWQKBUJL-QFIPXVFZSA-N 1 0 408.567 6.032 50 0 HKAARO CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000004263741 568956013 /nfs/dbraw/zinc/95/60/13/568956013.db2.gz KLSCSEZMCFQPFO-UHFFFAOYSA-N 1 0 420.553 5.558 50 0 HKAARO c1[nH]c2ccccc2c1CN1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004271436 568957038 /nfs/dbraw/zinc/95/70/38/568957038.db2.gz KBRLSUOZEHLZMV-UHFFFAOYSA-N 1 0 423.604 5.877 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271444 568956979 /nfs/dbraw/zinc/95/69/79/568956979.db2.gz ZGXQKISLTJLHIV-XMMPIXPASA-N 1 0 414.549 5.350 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271446 568957002 /nfs/dbraw/zinc/95/70/02/568957002.db2.gz ZGXQKISLTJLHIV-DEOSSOPVSA-N 1 0 414.549 5.350 50 0 HKAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004279611 568958520 /nfs/dbraw/zinc/95/85/20/568958520.db2.gz LLRZTMKGVGCFTO-SANMLTNESA-N 1 0 401.550 5.048 50 0 HKAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004279612 568958500 /nfs/dbraw/zinc/95/85/00/568958500.db2.gz LLRZTMKGVGCFTO-AREMUKBSSA-N 1 0 401.550 5.048 50 0 HKAARO CCOc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCCCC3)cc1 ZINC000004280270 568958708 /nfs/dbraw/zinc/95/87/08/568958708.db2.gz LECFRPLCTXBWGY-UHFFFAOYSA-N 1 0 412.351 5.319 50 0 HKAARO COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004281217 568958806 /nfs/dbraw/zinc/95/88/06/568958806.db2.gz ACWAXZNKWZUQDK-UHFFFAOYSA-N 1 0 422.550 5.100 50 0 HKAARO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000004290023 557536503 /nfs/dbraw/zinc/53/65/03/557536503.db2.gz WYDUDCFIXKXWER-FQEVSTJZSA-N 1 0 406.448 5.111 50 0 HKAARO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000004290029 557536491 /nfs/dbraw/zinc/53/64/91/557536491.db2.gz UQEDWFQMSLBDKO-FQEVSTJZSA-N 1 0 406.448 5.111 50 0 HKAARO c1sc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000004299556 557537348 /nfs/dbraw/zinc/53/73/48/557537348.db2.gz UUVLNXOVNYNPAB-UHFFFAOYSA-N 1 0 400.551 5.435 50 0 HKAARO Fc1ccc(C[N@@H+]2CCCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000004299568 557537402 /nfs/dbraw/zinc/53/74/02/557537402.db2.gz QESWSTJVKBFWRP-UHFFFAOYSA-N 1 0 418.541 5.210 50 0 HKAARO CCCOC(C(=O)OCCC[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000004311788 568960898 /nfs/dbraw/zinc/96/08/98/568960898.db2.gz JPBVAXFIXKDOHH-UHFFFAOYSA-N 1 0 409.570 5.166 50 0 HKAARO Cc1c(CCOC(=O)CC23CC4CC(CC(C4)C2)C3)sc[n+]1Cc1ccccc1 ZINC000004321683 557850018 /nfs/dbraw/zinc/85/00/18/557850018.db2.gz DQWMZYWUGZURRR-UHFFFAOYSA-N 1 0 410.603 5.085 50 0 HKAARO c1c2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2sc1-c1ccccc1 ZINC000004324160 557541347 /nfs/dbraw/zinc/54/13/47/557541347.db2.gz BVWZXNUIZVYPCJ-UHFFFAOYSA-N 1 0 400.551 5.435 50 0 HKAARO CCCCc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(C)c1 ZINC000004324565 535091281 /nfs/dbraw/zinc/09/12/81/535091281.db2.gz RSUWIHPDCRZYSI-UHFFFAOYSA-N 1 0 416.569 5.548 50 0 HKAARO COC(=O)c1sccc1-c1ccc(C[NH+]2CCC(c3ccccc3OC)CC2)o1 ZINC000004324787 557541959 /nfs/dbraw/zinc/54/19/59/557541959.db2.gz DCYIQMOBZOKILH-UHFFFAOYSA-N 1 0 411.523 5.183 50 0 HKAARO COc1ccccc1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2OC)CC1 ZINC000004325031 557541919 /nfs/dbraw/zinc/54/19/19/557541919.db2.gz CJOMFNBEJPEMKE-UHFFFAOYSA-N 1 0 417.549 5.662 50 0 HKAARO CC(C)(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Sc1ccc(Cl)cc1 ZINC000004334632 557543097 /nfs/dbraw/zinc/54/30/97/557543097.db2.gz XLTXTGHQOQMSHX-UHFFFAOYSA-N 1 0 417.018 5.382 50 0 HKAARO O=C1c2cccc3cccc(c32)C(=O)N1CCCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000004336084 557543501 /nfs/dbraw/zinc/54/35/01/557543501.db2.gz LSXCGYFCOPSKNL-UHFFFAOYSA-N 1 0 410.517 5.005 50 0 HKAARO Fc1cccc2c(OC3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)nc12 ZINC000004344975 557544568 /nfs/dbraw/zinc/54/45/68/557544568.db2.gz FGVCZDMXRMEDTD-UHFFFAOYSA-N 1 0 404.407 5.436 50 0 HKAARO FC(F)(F)c1ccc(SCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000004347611 132275752 /nfs/dbraw/zinc/27/57/52/132275752.db2.gz BIFJYLKRBXGSMK-UHFFFAOYSA-N 1 0 415.912 5.058 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)CC1CCCCC1 ZINC000004357392 558445620 /nfs/dbraw/zinc/44/56/20/558445620.db2.gz JNFBMBZQIMJUMB-SANMLTNESA-N 1 0 410.646 5.987 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)CC1CCCCC1 ZINC000004357395 558445683 /nfs/dbraw/zinc/44/56/83/558445683.db2.gz JNFBMBZQIMJUMB-AREMUKBSSA-N 1 0 410.646 5.987 50 0 HKAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1 ZINC000004359111 558448205 /nfs/dbraw/zinc/44/82/05/558448205.db2.gz MVZKGXVAQIXGRS-UHFFFAOYSA-N 1 0 414.383 5.181 50 0 HKAARO CCCCCC[NH+](CCCCCC)CC(=O)Nc1c(C)c(CC)nc2ccccc21 ZINC000004359220 558450009 /nfs/dbraw/zinc/45/00/09/558450009.db2.gz LLJJRUDUCBYKID-UHFFFAOYSA-N 1 0 411.634 6.507 50 0 HKAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000004359230 558450252 /nfs/dbraw/zinc/45/02/52/558450252.db2.gz NHAATQASABMPRV-UHFFFAOYSA-N 1 0 414.383 5.181 50 0 HKAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cccc4ccccc43)nc2c1C ZINC000004359382 558451292 /nfs/dbraw/zinc/45/12/92/558451292.db2.gz JKIGOTWBCHSIJP-UHFFFAOYSA-N 1 0 403.551 5.275 50 0 HKAARO C[NH+](C)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359425 558451708 /nfs/dbraw/zinc/45/17/08/558451708.db2.gz USMGWPGYDFNFCJ-UHFFFAOYSA-N 1 0 417.525 5.080 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1c(F)cccc1F)c1nc2c(ccc(C)c2C)s1 ZINC000004359496 558456595 /nfs/dbraw/zinc/45/65/95/558456595.db2.gz ZPRFKYONRONXKR-UHFFFAOYSA-N 1 0 417.525 5.180 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1c(F)cccc1F)c1nc2cc(C)cc(C)c2s1 ZINC000004359502 558456672 /nfs/dbraw/zinc/45/66/72/558456672.db2.gz FGNAURXVFVAXJQ-UHFFFAOYSA-N 1 0 417.525 5.180 50 0 HKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000004359534 558456566 /nfs/dbraw/zinc/45/65/66/558456566.db2.gz KJMSFUXHFPDMGB-UHFFFAOYSA-N 1 0 421.488 5.222 50 0 HKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000004359542 558456679 /nfs/dbraw/zinc/45/66/79/558456679.db2.gz LYFJNELLNWYHTL-UHFFFAOYSA-N 1 0 407.583 5.082 50 0 HKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CCSc3ccccc3)sc2c1 ZINC000004359559 558456604 /nfs/dbraw/zinc/45/66/04/558456604.db2.gz DAHHJWCFPMZMJG-UHFFFAOYSA-N 1 0 413.612 5.072 50 0 HKAARO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccc(F)cc2s1 ZINC000004359611 558456830 /nfs/dbraw/zinc/45/68/30/558456830.db2.gz GQIGPNNTHOCRDQ-UHFFFAOYSA-N 1 0 413.562 5.331 50 0 HKAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1C ZINC000004359650 558456846 /nfs/dbraw/zinc/45/68/46/558456846.db2.gz HVMDLOCSGFODDK-UHFFFAOYSA-N 1 0 401.963 5.165 50 0 HKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000004359694 558456868 /nfs/dbraw/zinc/45/68/68/558456868.db2.gz FFHSYHKYTHPELO-UHFFFAOYSA-N 1 0 421.488 5.222 50 0 HKAARO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(cccc2F)s1 ZINC000004359773 558457021 /nfs/dbraw/zinc/45/70/21/558457021.db2.gz VPGZLSOWSJYVBU-UHFFFAOYSA-N 1 0 413.562 5.331 50 0 HKAARO C[NH+](C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2c(cccc2F)s1 ZINC000004359775 558457030 /nfs/dbraw/zinc/45/70/30/558457030.db2.gz FLMZQWNZNMSPTE-UHFFFAOYSA-N 1 0 407.514 5.187 50 0 HKAARO FC(F)(F)c1cc(N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000004364543 132275813 /nfs/dbraw/zinc/27/58/13/132275813.db2.gz ACCYJSPIAHCMCJ-UHFFFAOYSA-N 1 0 405.851 5.229 50 0 HKAARO c1ccc(Oc2ccc(C3=NN4[C@@H](C3)c3ccccc3OC43CC[NH2+]CC3)cc2)cc1 ZINC000004371842 558472961 /nfs/dbraw/zinc/47/29/61/558472961.db2.gz PAVVXXNNZKOCQX-DEOSSOPVSA-N 1 0 411.505 5.102 50 0 HKAARO c1ccc(Oc2ccc(C3=NN4[C@H](C3)c3ccccc3OC43CC[NH2+]CC3)cc2)cc1 ZINC000004371843 558472940 /nfs/dbraw/zinc/47/29/40/558472940.db2.gz PAVVXXNNZKOCQX-XMMPIXPASA-N 1 0 411.505 5.102 50 0 HKAARO Fc1ccc(Cn2cccc2C[N@H+](Cc2ccc(F)c(F)c2)C2CCCCC2)cc1 ZINC000004374420 558474812 /nfs/dbraw/zinc/47/48/12/558474812.db2.gz HLRGODDTOBARJX-UHFFFAOYSA-N 1 0 412.499 6.289 50 0 HKAARO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000004379966 558483122 /nfs/dbraw/zinc/48/31/22/558483122.db2.gz HTRWEPAGAWTZBM-OAQYLSRUSA-N 1 0 423.409 5.478 50 0 HKAARO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000004379971 558483046 /nfs/dbraw/zinc/48/30/46/558483046.db2.gz HTRWEPAGAWTZBM-NRFANRHFSA-N 1 0 423.409 5.478 50 0 HKAARO COc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NC(C)(C)C)c1 ZINC000004382624 558484213 /nfs/dbraw/zinc/48/42/13/558484213.db2.gz KQBVLSBANKQHIH-UHFFFAOYSA-N 1 0 401.510 5.799 50 0 HKAARO Cc1cccc(C)c1Nc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(Cl)cn21 ZINC000004382922 558484177 /nfs/dbraw/zinc/48/41/77/558484177.db2.gz HXCUMEIDQNWMOB-UHFFFAOYSA-N 1 0 403.957 7.313 50 0 HKAARO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000004382978 558484188 /nfs/dbraw/zinc/48/41/88/558484188.db2.gz HJNGXSSVOLCZPR-UHFFFAOYSA-N 1 0 400.364 6.391 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004384161 557549398 /nfs/dbraw/zinc/54/93/98/557549398.db2.gz JJKQQRKSCKAEBE-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004390801 557551100 /nfs/dbraw/zinc/55/11/00/557551100.db2.gz ILYJQZIWOABNCC-UHFFFAOYSA-N 1 0 408.929 5.303 50 0 HKAARO Fc1ccccc1N1CCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000004395369 132276249 /nfs/dbraw/zinc/27/62/49/132276249.db2.gz NQYXBMSRUIHAAE-UHFFFAOYSA-N 1 0 421.604 5.139 50 0 HKAARO Brc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000004399038 557552055 /nfs/dbraw/zinc/55/20/55/557552055.db2.gz AGKQMSGKWWRBDQ-UHFFFAOYSA-N 1 0 418.338 5.592 50 0 HKAARO Clc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccs2)cc1 ZINC000004399629 557552066 /nfs/dbraw/zinc/55/20/66/557552066.db2.gz GEFHDYPJYGXCNQ-UHFFFAOYSA-N 1 0 404.992 5.227 50 0 HKAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(Cl)cc1Cl ZINC000004413516 557553064 /nfs/dbraw/zinc/55/30/64/557553064.db2.gz BVOHYLSWYLFQPA-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413527 557553001 /nfs/dbraw/zinc/55/30/01/557553001.db2.gz FYKNKGMDTSJCNS-UHFFFAOYSA-N 1 0 417.336 5.656 50 0 HKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1Cl ZINC000004413529 557553014 /nfs/dbraw/zinc/55/30/14/557553014.db2.gz KDDUETKOEPVGFY-UHFFFAOYSA-N 1 0 417.336 5.656 50 0 HKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004413531 557553025 /nfs/dbraw/zinc/55/30/25/557553025.db2.gz BFGNWBSVCRLNJP-UHFFFAOYSA-N 1 0 400.881 5.142 50 0 HKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1F ZINC000004413533 557553034 /nfs/dbraw/zinc/55/30/34/557553034.db2.gz MXLVFTKILRWTNX-UHFFFAOYSA-N 1 0 400.881 5.142 50 0 HKAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413537 557552976 /nfs/dbraw/zinc/55/29/76/557552976.db2.gz CKQWQXHKLDPGSV-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004413563 557552953 /nfs/dbraw/zinc/55/29/53/557552953.db2.gz UICAEHHUHBHFQQ-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(Cl)cc1Cl ZINC000004413569 557552967 /nfs/dbraw/zinc/55/29/67/557552967.db2.gz PJGXUSKCMBUVDN-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000004413589 557553018 /nfs/dbraw/zinc/55/30/18/557553018.db2.gz RPWNNPBSPSBLDB-UHFFFAOYSA-N 1 0 417.336 5.656 50 0 HKAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004413591 557553054 /nfs/dbraw/zinc/55/30/54/557553054.db2.gz IRGCAZURBPUPEF-UHFFFAOYSA-N 1 0 400.881 5.142 50 0 HKAARO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413592 557553083 /nfs/dbraw/zinc/55/30/83/557553083.db2.gz TUYZLZUETFUJNM-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1c(Cl)cccc1Cl ZINC000004413611 557553049 /nfs/dbraw/zinc/55/30/49/557553049.db2.gz HCBMUCWWWYMITM-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004413615 557553007 /nfs/dbraw/zinc/55/30/07/557553007.db2.gz QWMXOACWEZVXQR-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1c(Cl)cccc1Cl ZINC000004413626 557552989 /nfs/dbraw/zinc/55/29/89/557552989.db2.gz BLQRFZYTQBFWTQ-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004413629 557553038 /nfs/dbraw/zinc/55/30/38/557553038.db2.gz RATZYNZICJLKHE-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004421516 558534624 /nfs/dbraw/zinc/53/46/24/558534624.db2.gz ORTKPELXIREFLV-JOCHJYFZSA-N 1 0 420.981 5.355 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004421518 558534653 /nfs/dbraw/zinc/53/46/53/558534653.db2.gz ORTKPELXIREFLV-QFIPXVFZSA-N 1 0 420.981 5.355 50 0 HKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 ZINC000004424530 558544033 /nfs/dbraw/zinc/54/40/33/558544033.db2.gz PYVDJLMUDDGXHA-VWLOTQADSA-N 1 0 409.533 5.222 50 0 HKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 ZINC000004424533 558543943 /nfs/dbraw/zinc/54/39/43/558543943.db2.gz PYVDJLMUDDGXHA-RUZDIDTESA-N 1 0 409.533 5.222 50 0 HKAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004424537 558544012 /nfs/dbraw/zinc/54/40/12/558544012.db2.gz UMSSNKHYDZHKPX-SANMLTNESA-N 1 0 423.560 5.531 50 0 HKAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004424539 558543962 /nfs/dbraw/zinc/54/39/62/558543962.db2.gz UMSSNKHYDZHKPX-AREMUKBSSA-N 1 0 423.560 5.531 50 0 HKAARO c1csc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004424543 558543976 /nfs/dbraw/zinc/54/39/76/558543976.db2.gz BSDMCVCYKQSWCU-QFIPXVFZSA-N 1 0 415.562 5.284 50 0 HKAARO c1csc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004424546 558543971 /nfs/dbraw/zinc/54/39/71/558543971.db2.gz BSDMCVCYKQSWCU-JOCHJYFZSA-N 1 0 415.562 5.284 50 0 HKAARO Cc1nc2ccccc2c(Nc2ccc(Nc3ccccc3)cc2)c1C[NH+]1CCCCC1 ZINC000004425988 558543993 /nfs/dbraw/zinc/54/39/93/558543993.db2.gz IPFWLUVUWIAECJ-UHFFFAOYSA-N 1 0 422.576 7.016 50 0 HKAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004450518 557555509 /nfs/dbraw/zinc/55/55/09/557555509.db2.gz XBHRJXYKFPPPBA-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccc(C)cc1 ZINC000004457257 558590100 /nfs/dbraw/zinc/59/01/00/558590100.db2.gz JEBYFRCVGSAWCV-HSZRJFAPSA-N 1 0 417.018 5.525 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(C)cc1 ZINC000004457258 558590108 /nfs/dbraw/zinc/59/01/08/558590108.db2.gz JEBYFRCVGSAWCV-QHCPKHFHSA-N 1 0 417.018 5.525 50 0 HKAARO CCC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004457715 558590073 /nfs/dbraw/zinc/59/00/73/558590073.db2.gz LBVRJTBQERFDLR-MHZLTWQESA-N 1 0 418.625 5.997 50 0 HKAARO CCC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004457719 558590044 /nfs/dbraw/zinc/59/00/44/558590044.db2.gz LBVRJTBQERFDLR-HHHXNRCGSA-N 1 0 418.625 5.997 50 0 HKAARO Cc1ccc(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)cc1 ZINC000004462613 558596540 /nfs/dbraw/zinc/59/65/40/558596540.db2.gz SWGCGLIVDSSEIM-HSZRJFAPSA-N 1 0 417.018 5.381 50 0 HKAARO Cc1ccc(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)cc1 ZINC000004462614 558596603 /nfs/dbraw/zinc/59/66/03/558596603.db2.gz SWGCGLIVDSSEIM-QHCPKHFHSA-N 1 0 417.018 5.381 50 0 HKAARO C[NH+](C)CCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 ZINC000004471472 557556522 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/nfs/dbraw/zinc/72/11/98/558721198.db2.gz DYYVUFWTPVTXQV-JOCHJYFZSA-N 1 0 421.566 5.495 50 0 HKAARO COc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000004555315 558724413 /nfs/dbraw/zinc/72/44/13/558724413.db2.gz XJHIDCNOMXITGT-NRFANRHFSA-N 1 0 407.539 5.105 50 0 HKAARO COc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000004555316 558724433 /nfs/dbraw/zinc/72/44/33/558724433.db2.gz XJHIDCNOMXITGT-OAQYLSRUSA-N 1 0 407.539 5.105 50 0 HKAARO CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](CC)C3 ZINC000004556167 558725201 /nfs/dbraw/zinc/72/52/01/558725201.db2.gz SOWBQPIMAGQQEH-NRFANRHFSA-N 1 0 407.539 5.107 50 0 HKAARO CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](CC)C3 ZINC000004556168 558725215 /nfs/dbraw/zinc/72/52/15/558725215.db2.gz SOWBQPIMAGQQEH-OAQYLSRUSA-N 1 0 407.539 5.107 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000004556171 558725184 /nfs/dbraw/zinc/72/51/84/558725184.db2.gz UVSBQYXFATVMHN-QFIPXVFZSA-N 1 0 419.550 5.134 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000004556172 558725228 /nfs/dbraw/zinc/72/52/28/558725228.db2.gz UVSBQYXFATVMHN-JOCHJYFZSA-N 1 0 419.550 5.134 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000004556327 558725495 /nfs/dbraw/zinc/72/54/95/558725495.db2.gz FHOYEPKOAOBJPK-IBGZPJMESA-N 1 0 413.930 5.468 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000004556328 558725541 /nfs/dbraw/zinc/72/55/41/558725541.db2.gz FHOYEPKOAOBJPK-LJQANCHMSA-N 1 0 413.930 5.468 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004556337 558725488 /nfs/dbraw/zinc/72/54/88/558725488.db2.gz XIFIOOIBWOOAAM-IBGZPJMESA-N 1 0 413.930 5.468 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004556338 558725961 /nfs/dbraw/zinc/72/59/61/558725961.db2.gz XIFIOOIBWOOAAM-LJQANCHMSA-N 1 0 413.930 5.468 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000004556410 558725813 /nfs/dbraw/zinc/72/58/13/558725813.db2.gz HGEDHWMJSKJKHU-QFIPXVFZSA-N 1 0 419.550 5.134 50 0 HKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000004556411 558725948 /nfs/dbraw/zinc/72/59/48/558725948.db2.gz HGEDHWMJSKJKHU-JOCHJYFZSA-N 1 0 419.550 5.134 50 0 HKAARO CCC(=O)c1c(-c2ccc(Cl)cc2)nc2n(CC[NH+](CC)CC)c3ccccc3n12 ZINC000004561979 568922583 /nfs/dbraw/zinc/92/25/83/568922583.db2.gz JHXYNUIKSFSVSK-UHFFFAOYSA-N 1 0 422.960 5.544 50 0 HKAARO CC1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000004564826 558730137 /nfs/dbraw/zinc/73/01/37/558730137.db2.gz SIDYZZKZTUGJIX-UHFFFAOYSA-N 1 0 422.063 5.723 50 0 HKAARO S=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000004564827 558730374 /nfs/dbraw/zinc/73/03/74/558730374.db2.gz CERIFIHNRNSXRZ-UHFFFAOYSA-N 1 0 408.036 5.477 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)cc2)C1 ZINC000004564831 558730339 /nfs/dbraw/zinc/73/03/39/558730339.db2.gz UGGMTUXODIGXBS-QGZVFWFLSA-N 1 0 422.063 5.723 50 0 HKAARO C[C@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)cc2)C1 ZINC000004564833 558730453 /nfs/dbraw/zinc/73/04/53/558730453.db2.gz UGGMTUXODIGXBS-KRWDZBQOSA-N 1 0 422.063 5.723 50 0 HKAARO CC1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000004564835 558730461 /nfs/dbraw/zinc/73/04/61/558730461.db2.gz XXFLNNUVUJZUGR-UHFFFAOYSA-N 1 0 405.995 5.254 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)C1 ZINC000004564839 558730420 /nfs/dbraw/zinc/73/04/20/558730420.db2.gz UPRFSKOGZKULJE-QGZVFWFLSA-N 1 0 405.995 5.254 50 0 HKAARO C[C@H]1CCC[N@H+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)C1 ZINC000004564840 558730431 /nfs/dbraw/zinc/73/04/31/558730431.db2.gz UPRFSKOGZKULJE-KRWDZBQOSA-N 1 0 405.995 5.254 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000004564842 558730397 /nfs/dbraw/zinc/73/03/97/558730397.db2.gz DWQMJQZADBCRIW-UHFFFAOYSA-N 1 0 424.035 5.095 50 0 HKAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1cc(Cl)ccc1OC ZINC000004564844 558730381 /nfs/dbraw/zinc/73/03/81/558730381.db2.gz PXQGTIDXYDXWFK-UHFFFAOYSA-N 1 0 424.010 5.263 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2F)C1 ZINC000004564846 558730387 /nfs/dbraw/zinc/73/03/87/558730387.db2.gz GYSSFVINMKVPDR-QGZVFWFLSA-N 1 0 405.608 5.208 50 0 HKAARO C[C@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2F)C1 ZINC000004564847 558730444 /nfs/dbraw/zinc/73/04/44/558730444.db2.gz GYSSFVINMKVPDR-KRWDZBQOSA-N 1 0 405.608 5.208 50 0 HKAARO CC1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2Cl)CC1 ZINC000004564850 558730407 /nfs/dbraw/zinc/73/04/07/558730407.db2.gz KQMKEUGWHOSDQJ-UHFFFAOYSA-N 1 0 422.063 5.723 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2Cl)C1 ZINC000004564852 558730457 /nfs/dbraw/zinc/73/04/57/558730457.db2.gz DTZAALZICUUSRH-QGZVFWFLSA-N 1 0 422.063 5.723 50 0 HKAARO C[C@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2Cl)C1 ZINC000004564853 558730367 /nfs/dbraw/zinc/73/03/67/558730367.db2.gz DTZAALZICUUSRH-KRWDZBQOSA-N 1 0 422.063 5.723 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)C1 ZINC000004564856 558730357 /nfs/dbraw/zinc/73/03/57/558730357.db2.gz OKUYOJFZLLRWLV-QGZVFWFLSA-N 1 0 405.995 5.254 50 0 HKAARO C[C@H]1CCC[N@H+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)C1 ZINC000004564857 558730392 /nfs/dbraw/zinc/73/03/92/558730392.db2.gz OKUYOJFZLLRWLV-KRWDZBQOSA-N 1 0 405.995 5.254 50 0 HKAARO CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004564910 558730436 /nfs/dbraw/zinc/73/04/36/558730436.db2.gz VLJJAAOUTZFFRD-GGUMNFRJSA-N 1 0 408.542 5.196 50 0 HKAARO CCCCCOc1ccccc1NC(=O)O[C@H](COCCCC)C[NH+](CC)CC ZINC000004566948 557568315 /nfs/dbraw/zinc/56/83/15/557568315.db2.gz DUKDRYPATYUSIB-FQEVSTJZSA-N 1 0 408.583 5.331 50 0 HKAARO CCCCCOc1ccccc1NC(=O)O[C@@H](COCCCC)C[NH+](CC)CC ZINC000004566949 557568232 /nfs/dbraw/zinc/56/82/32/557568232.db2.gz DUKDRYPATYUSIB-HXUWFJFHSA-N 1 0 408.583 5.331 50 0 HKAARO COc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004570934 558743638 /nfs/dbraw/zinc/74/36/38/558743638.db2.gz BVJBGRPQVIEONL-SANMLTNESA-N 1 0 420.597 5.140 50 0 HKAARO COc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004570940 558743548 /nfs/dbraw/zinc/74/35/48/558743548.db2.gz BVJBGRPQVIEONL-AREMUKBSSA-N 1 0 420.597 5.140 50 0 HKAARO CC[NH+](CC)CC(=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000004581541 557569820 /nfs/dbraw/zinc/56/98/20/557569820.db2.gz ZLWNDVAZSLGMIC-UHFFFAOYSA-N 1 0 419.407 5.197 50 0 HKAARO CCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584056 558775217 /nfs/dbraw/zinc/77/52/17/558775217.db2.gz MJTQRBXYGFRUTA-RRPNLBNLSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584061 558775195 /nfs/dbraw/zinc/77/51/95/558775195.db2.gz MJTQRBXYGFRUTA-SVBPBHIXSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584065 558775204 /nfs/dbraw/zinc/77/52/04/558775204.db2.gz MJTQRBXYGFRUTA-KAYWLYCHSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584070 558775191 /nfs/dbraw/zinc/77/51/91/558775191.db2.gz MJTQRBXYGFRUTA-SXOMAYOGSA-N 1 0 409.614 6.123 50 0 HKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584072 558775216 /nfs/dbraw/zinc/77/52/16/558775216.db2.gz RXEPDVSESJKBET-SVBPBHIXSA-N 1 0 409.614 5.979 50 0 HKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584076 558775212 /nfs/dbraw/zinc/77/52/12/558775212.db2.gz RXEPDVSESJKBET-RRPNLBNLSA-N 1 0 409.614 5.979 50 0 HKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584079 558775219 /nfs/dbraw/zinc/77/52/19/558775219.db2.gz RXEPDVSESJKBET-SXOMAYOGSA-N 1 0 409.614 5.979 50 0 HKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584081 558775346 /nfs/dbraw/zinc/77/53/46/558775346.db2.gz RXEPDVSESJKBET-KAYWLYCHSA-N 1 0 409.614 5.979 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584085 558775324 /nfs/dbraw/zinc/77/53/24/558775324.db2.gz WAAVTBWDPTUCRP-WUFINQPMSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584088 558773361 /nfs/dbraw/zinc/77/33/61/558773361.db2.gz WAAVTBWDPTUCRP-NSOVKSMOSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584090 558773649 /nfs/dbraw/zinc/77/36/49/558773649.db2.gz WAAVTBWDPTUCRP-VSGBNLITSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584091 558773637 /nfs/dbraw/zinc/77/36/37/558773637.db2.gz WAAVTBWDPTUCRP-IZLXSDGUSA-N 1 0 423.641 6.513 50 0 HKAARO C[NH+](C)CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000004585265 558775668 /nfs/dbraw/zinc/77/56/68/558775668.db2.gz IKSHSXQPNIPTEU-UHFFFAOYSA-N 1 0 401.535 5.172 50 0 HKAARO C[NH+](C)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 ZINC000004585283 558775641 /nfs/dbraw/zinc/77/56/41/558775641.db2.gz PCPJFCKJEYHRAW-UHFFFAOYSA-N 1 0 415.562 5.023 50 0 HKAARO C[NH+](C)CCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1 ZINC000004585287 558775737 /nfs/dbraw/zinc/77/57/37/558775737.db2.gz ASXBFIYQZHLDRM-UHFFFAOYSA-N 1 0 417.534 5.297 50 0 HKAARO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 ZINC000004585288 558775683 /nfs/dbraw/zinc/77/56/83/558775683.db2.gz JJHRWONPCOYJPE-UHFFFAOYSA-N 1 0 417.534 5.297 50 0 HKAARO C[NH+](C)CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2s1 ZINC000004585293 558775646 /nfs/dbraw/zinc/77/56/46/558775646.db2.gz MTDVSRZXUYXFSJ-UHFFFAOYSA-N 1 0 417.534 5.297 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000004585311 558775937 /nfs/dbraw/zinc/77/59/37/558775937.db2.gz KMGSIJDGILVQML-UHFFFAOYSA-N 1 0 421.488 5.304 50 0 HKAARO C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2s1 ZINC000004585331 558775963 /nfs/dbraw/zinc/77/59/63/558775963.db2.gz VLHOLJATPXCMPR-UHFFFAOYSA-N 1 0 414.383 5.263 50 0 HKAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)sc2cc1C ZINC000004586164 558782030 /nfs/dbraw/zinc/78/20/30/558782030.db2.gz AIUFTVPYASXQOC-UHFFFAOYSA-N 1 0 403.551 5.275 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3cccc(Br)c3)nc21 ZINC000004598762 558834930 /nfs/dbraw/zinc/83/49/30/558834930.db2.gz DDFHCNRDBFBRFV-UHFFFAOYSA-N 1 0 411.347 5.060 50 0 HKAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004598782 558834860 /nfs/dbraw/zinc/83/48/60/558834860.db2.gz BCACWKVARCZYQE-UHFFFAOYSA-N 1 0 418.625 5.550 50 0 HKAARO O=C1c2ccccc2[C@@H]([NH2+]C2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000004598887 558834907 /nfs/dbraw/zinc/83/49/07/558834907.db2.gz JEZXUTVEGGFUAX-SANMLTNESA-N 1 0 404.598 6.604 50 0 HKAARO O=C1c2ccccc2[C@H]([NH2+]C2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000004598888 558834936 /nfs/dbraw/zinc/83/49/36/558834936.db2.gz JEZXUTVEGGFUAX-AREMUKBSSA-N 1 0 404.598 6.604 50 0 HKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000004598920 557570995 /nfs/dbraw/zinc/57/09/95/557570995.db2.gz CACXXJWXDSOKRZ-UHFFFAOYSA-N 1 0 408.586 5.126 50 0 HKAARO CCC(=O)c1c(-c2ccccc2)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12 ZINC000004600333 558835406 /nfs/dbraw/zinc/83/54/06/558835406.db2.gz FTYCCDGEOMPAGH-UHFFFAOYSA-N 1 0 400.526 5.035 50 0 HKAARO COc1ccc(-c2csc(N3CCN(c4cc(C)[nH+]c5ccccc54)CC3)n2)cc1 ZINC000004602468 536498591 /nfs/dbraw/zinc/49/85/91/536498591.db2.gz KOPSXLCFXMEYHM-UHFFFAOYSA-N 1 0 416.550 5.002 50 0 HKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004603008 557571541 /nfs/dbraw/zinc/57/15/41/557571541.db2.gz KLEAAGHZYJXDRA-UHFFFAOYSA-N 1 0 414.593 5.881 50 0 HKAARO c1ccc(C2=NN(c3ccc(C[NH2+]C4CCCCC4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004603382 558846626 /nfs/dbraw/zinc/84/66/26/558846626.db2.gz WSWDIMKTFSCXAP-NDEPHWFRSA-N 1 0 409.577 6.465 50 0 HKAARO c1ccc(C2=NN(c3ccc(C[NH2+]C4CCCCC4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004603384 558846537 /nfs/dbraw/zinc/84/65/37/558846537.db2.gz WSWDIMKTFSCXAP-MUUNZHRXSA-N 1 0 409.577 6.465 50 0 HKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC(C)C)c1 ZINC000004606765 558847751 /nfs/dbraw/zinc/84/77/51/558847751.db2.gz FXVNNIQSXKFCGO-UHFFFAOYSA-N 1 0 414.515 6.522 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000004618737 558865024 /nfs/dbraw/zinc/86/50/24/558865024.db2.gz ZGVVIDFNOLEKRA-OAQYLSRUSA-N 1 0 409.555 5.427 50 0 HKAARO CC[NH+](CC)CCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc21 ZINC000004622676 558884874 /nfs/dbraw/zinc/88/48/74/558884874.db2.gz BCQNGLHWYGJJHM-UHFFFAOYSA-N 1 0 408.542 5.145 50 0 HKAARO Cc1ccc(C(=O)[C@@H]2C[N@@H+](C)[C@@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000004650794 558869369 /nfs/dbraw/zinc/86/93/69/558869369.db2.gz XNDXEIYARWEMSV-PUHATCMVSA-N 1 0 403.547 5.350 50 0 HKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652821 557576301 /nfs/dbraw/zinc/57/63/01/557576301.db2.gz FFNLFWCXKWZQKH-OUFXZLDQSA-N 1 0 420.424 6.963 50 0 HKAARO CCC[C@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652822 557576294 /nfs/dbraw/zinc/57/62/94/557576294.db2.gz FFNLFWCXKWZQKH-VCECKLMPSA-N 1 0 420.424 6.963 50 0 HKAARO CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652823 557576275 /nfs/dbraw/zinc/57/62/75/557576275.db2.gz FFNLFWCXKWZQKH-AEXWLAFLSA-N 1 0 420.424 6.963 50 0 HKAARO CCC[C@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652824 557576282 /nfs/dbraw/zinc/57/62/82/557576282.db2.gz FFNLFWCXKWZQKH-LUUIZIPLSA-N 1 0 420.424 6.963 50 0 HKAARO CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004652827 557576304 /nfs/dbraw/zinc/57/63/04/557576304.db2.gz JIMPELPXBXADEI-QDGJQWLKSA-N 1 0 406.397 6.573 50 0 HKAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000004657413 557576866 /nfs/dbraw/zinc/57/68/66/557576866.db2.gz ILIXWBURLOOXBK-UHFFFAOYSA-N 1 0 418.748 5.095 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1c(Cl)cccc1Cl ZINC000004661544 557577871 /nfs/dbraw/zinc/57/78/71/557577871.db2.gz UNOAJOUPOZIZLR-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004661545 557577843 /nfs/dbraw/zinc/57/78/43/557577843.db2.gz WYSSVQYAWQPWHR-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CC(=O)Nc1ccc(OC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004662426 557578119 /nfs/dbraw/zinc/57/81/19/557578119.db2.gz QBGRKBJDJZPMLV-FQEVSTJZSA-N 1 0 402.538 5.224 50 0 HKAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000004666707 558877832 /nfs/dbraw/zinc/87/78/32/558877832.db2.gz GFNAIMIAENVOOC-DNEFNOKRSA-N 1 0 423.729 8.183 50 0 HKAARO CC(C)c1ccc(Nc2cc(C(=O)NCCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000004667950 558877780 /nfs/dbraw/zinc/87/77/80/558877780.db2.gz WHANJNUSCGHWDN-UHFFFAOYSA-N 1 0 416.569 5.318 50 0 HKAARO CC1CC[NH+](CCCNC(=O)c2ccc(CSCc3cccc(Cl)c3)o2)CC1 ZINC000004668000 558878070 /nfs/dbraw/zinc/87/80/70/558878070.db2.gz JIOZLNOPICWVHE-UHFFFAOYSA-N 1 0 421.006 5.218 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000004668288 558878324 /nfs/dbraw/zinc/87/83/24/558878324.db2.gz HFHCNNAFAISMFA-BEFAXECRSA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668289 558878259 /nfs/dbraw/zinc/87/82/59/558878259.db2.gz HFHCNNAFAISMFA-KXBFYZLASA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668290 558878295 /nfs/dbraw/zinc/87/82/95/558878295.db2.gz HFHCNNAFAISMFA-HNAYVOBHSA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000004668299 558878272 /nfs/dbraw/zinc/87/82/72/558878272.db2.gz DEERAPCNHYEUGD-BEFAXECRSA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668300 558878247 /nfs/dbraw/zinc/87/82/47/558878247.db2.gz DEERAPCNHYEUGD-KXBFYZLASA-N 1 0 410.027 5.020 50 0 HKAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668301 558878287 /nfs/dbraw/zinc/87/82/87/558878287.db2.gz DEERAPCNHYEUGD-HNAYVOBHSA-N 1 0 410.027 5.020 50 0 HKAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668307 558878267 /nfs/dbraw/zinc/87/82/67/558878267.db2.gz YSPYAUOSLUZZSQ-BEFAXECRSA-N 1 0 413.553 5.377 50 0 HKAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668308 558878301 /nfs/dbraw/zinc/87/83/01/558878301.db2.gz YSPYAUOSLUZZSQ-KXBFYZLASA-N 1 0 413.553 5.377 50 0 HKAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668309 558878328 /nfs/dbraw/zinc/87/83/28/558878328.db2.gz YSPYAUOSLUZZSQ-HNAYVOBHSA-N 1 0 413.553 5.377 50 0 HKAARO CC(C)N(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C(C)C)CC1 ZINC000004669243 558877226 /nfs/dbraw/zinc/87/72/26/558877226.db2.gz XMXXAKVLGBFUJO-UHFFFAOYSA-N 1 0 411.615 5.759 50 0 HKAARO CC(C)CC[N@H+](C)C1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000004669246 558877204 /nfs/dbraw/zinc/87/72/04/558877204.db2.gz MBSPKXLYALGTTE-UHFFFAOYSA-N 1 0 411.615 5.618 50 0 HKAARO CC(C)CCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](C(C)C)CC1 ZINC000004669323 558877196 /nfs/dbraw/zinc/87/71/96/558877196.db2.gz VTCCIMFTGXLREY-UHFFFAOYSA-N 1 0 415.569 5.623 50 0 HKAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 ZINC000004670915 557579549 /nfs/dbraw/zinc/57/95/49/557579549.db2.gz OKUZMGPFGBTMFL-UHFFFAOYSA-N 1 0 404.485 5.227 50 0 HKAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F ZINC000004670916 557579506 /nfs/dbraw/zinc/57/95/06/557579506.db2.gz MEPXQVRXJLIKQB-UHFFFAOYSA-N 1 0 404.485 5.227 50 0 HKAARO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccc(F)cc1 ZINC000004670917 557579519 /nfs/dbraw/zinc/57/95/19/557579519.db2.gz JNXNYTVXYJGSGV-UHFFFAOYSA-N 1 0 404.485 5.227 50 0 HKAARO O=C(c1ccccc1)c1c2c(cc3sc4ccccc4[n+]31)-c1cccc3cccc-2c13 ZINC000004671214 557579731 /nfs/dbraw/zinc/57/97/31/557579731.db2.gz GRPXMPJLCXRKPZ-UHFFFAOYSA-N 1 0 414.509 6.672 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678176 558889695 /nfs/dbraw/zinc/88/96/95/558889695.db2.gz UHFUBWBTBDYNQD-UHFFFAOYSA-N 1 0 410.237 5.481 50 0 HKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678183 558889681 /nfs/dbraw/zinc/88/96/81/558889681.db2.gz XOKCMSZZAOXOBI-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678208 558889655 /nfs/dbraw/zinc/88/96/55/558889655.db2.gz BLPJQDWLVRJIKF-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678318 558889780 /nfs/dbraw/zinc/88/97/80/558889780.db2.gz QZUBIRBLXHTCRE-UHFFFAOYSA-N 1 0 410.237 5.481 50 0 HKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678322 558889760 /nfs/dbraw/zinc/88/97/60/558889760.db2.gz LTQVORZAGHPUOW-UHFFFAOYSA-N 1 0 400.231 6.025 50 0 HKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000004678340 558889809 /nfs/dbraw/zinc/88/98/09/558889809.db2.gz DYJXAYNGKXHBSF-UHFFFAOYSA-N 1 0 403.913 5.932 50 0 HKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678428 558889814 /nfs/dbraw/zinc/88/98/14/558889814.db2.gz FHVFUOIYVDPPAD-UHFFFAOYSA-N 1 0 418.338 6.129 50 0 HKAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678468 558889831 /nfs/dbraw/zinc/88/98/31/558889831.db2.gz TVLOVBBHGDLETP-UHFFFAOYSA-N 1 0 413.477 5.007 50 0 HKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678484 558889786 /nfs/dbraw/zinc/88/97/86/558889786.db2.gz RMUMZFQAQUYSSB-UHFFFAOYSA-N 1 0 407.439 6.385 50 0 HKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)cc1OCc1ccccc1 ZINC000004678626 558890028 /nfs/dbraw/zinc/89/00/28/558890028.db2.gz VQZLJINCPOGLID-UHFFFAOYSA-N 1 0 417.484 5.426 50 0 HKAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000004678675 558890075 /nfs/dbraw/zinc/89/00/75/558890075.db2.gz VRTRREGNNUYUHY-UHFFFAOYSA-N 1 0 413.477 5.007 50 0 HKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678678 558889996 /nfs/dbraw/zinc/88/99/96/558889996.db2.gz PFGJOPXITFFBPR-UHFFFAOYSA-N 1 0 408.332 6.673 50 0 HKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccc(Br)c1 ZINC000004678680 558890050 /nfs/dbraw/zinc/89/00/50/558890050.db2.gz FFGCCBWHBJMYPQ-UHFFFAOYSA-N 1 0 418.338 6.129 50 0 HKAARO Cc1ccc(-c2c[nH+]c(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1 ZINC000004678690 558890056 /nfs/dbraw/zinc/89/00/56/558890056.db2.gz TUDSZPMEZAYZJL-UHFFFAOYSA-N 1 0 405.586 6.308 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678701 558890063 /nfs/dbraw/zinc/89/00/63/558890063.db2.gz JYPRXRVRDKFXOS-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678706 558890084 /nfs/dbraw/zinc/89/00/84/558890084.db2.gz VWIVMRKMMPCNGN-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678727 558890082 /nfs/dbraw/zinc/89/00/82/558890082.db2.gz OSJVZRWAQWMDBR-UHFFFAOYSA-N 1 0 401.124 6.313 50 0 HKAARO Clc1ccc(-c2n[nH]cc2C[NH+]2CCC(Cc3ccccc3)CC2)c(Cl)c1 ZINC000004678740 558890070 /nfs/dbraw/zinc/89/00/70/558890070.db2.gz ODGMYCKRVHQEAV-UHFFFAOYSA-N 1 0 400.353 5.838 50 0 HKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678793 558890077 /nfs/dbraw/zinc/89/00/77/558890077.db2.gz GLEFXSBQKAAIOA-UHFFFAOYSA-N 1 0 410.732 5.769 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678939 558890088 /nfs/dbraw/zinc/89/00/88/558890088.db2.gz VTTSRSSHHUSIDC-UHFFFAOYSA-N 1 0 413.521 5.677 50 0 HKAARO Cc1ccc(-c2c[nH+]c(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1C ZINC000004678994 558890079 /nfs/dbraw/zinc/89/00/79/558890079.db2.gz CXZOLAJMAYIOHJ-UHFFFAOYSA-N 1 0 419.613 6.617 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OCc4ccccc4)c3)n2C)cc1 ZINC000004679003 558890066 /nfs/dbraw/zinc/89/00/66/558890066.db2.gz IODDZYSTXYEOQB-UHFFFAOYSA-N 1 0 413.521 5.677 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2CCOC)cc1 ZINC000004679096 558890298 /nfs/dbraw/zinc/89/02/98/558890298.db2.gz LXIBSBCSJJPIIX-UHFFFAOYSA-N 1 0 420.340 5.514 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(Cl)cc3Cl)n2CCOC)cc1 ZINC000004679100 558890281 /nfs/dbraw/zinc/89/02/81/558890281.db2.gz RHBSJAWIMZVIKV-UHFFFAOYSA-N 1 0 420.340 5.514 50 0 HKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004679135 557580275 /nfs/dbraw/zinc/58/02/75/557580275.db2.gz WVSBWKSGOLJPME-UHFFFAOYSA-N 1 0 420.597 5.317 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2CCOC)cc1 ZINC000004679221 558890246 /nfs/dbraw/zinc/89/02/46/558890246.db2.gz GXSHRJSPNGTOGD-UHFFFAOYSA-N 1 0 419.447 5.226 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2CCOC)cc1 ZINC000004679224 558890234 /nfs/dbraw/zinc/89/02/34/558890234.db2.gz KBAGERDBIWGZSX-UHFFFAOYSA-N 1 0 420.340 5.514 50 0 HKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc4ccccc43)n2CCOC)cc1 ZINC000004679229 558890216 /nfs/dbraw/zinc/89/02/16/558890216.db2.gz XAGQUXXKPOLDOJ-UHFFFAOYSA-N 1 0 401.510 5.361 50 0 HKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679285 568935075 /nfs/dbraw/zinc/93/50/75/568935075.db2.gz VRYKKYIOFMAROE-UHFFFAOYSA-N 1 0 401.124 6.313 50 0 HKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679286 558890240 /nfs/dbraw/zinc/89/02/40/558890240.db2.gz CNHRPVJDFHGRNU-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679306 568935181 /nfs/dbraw/zinc/93/51/81/568935181.db2.gz NDATYIUUNLDYEI-UHFFFAOYSA-N 1 0 411.130 5.769 50 0 HKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000004679413 568935172 /nfs/dbraw/zinc/93/51/72/568935172.db2.gz RZUXZGJTZVXHSX-UHFFFAOYSA-N 1 0 417.484 5.740 50 0 HKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000004679423 558890476 /nfs/dbraw/zinc/89/04/76/558890476.db2.gz LVTYPYZIKQBNGJ-UHFFFAOYSA-N 1 0 409.530 5.378 50 0 HKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004679428 558890479 /nfs/dbraw/zinc/89/04/79/558890479.db2.gz BGENTQBVVWCQJY-UHFFFAOYSA-N 1 0 401.913 6.154 50 0 HKAARO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc(C(C)(C)C)c1O ZINC000004681370 558893933 /nfs/dbraw/zinc/89/39/33/558893933.db2.gz UNDRRCVSNHKFSR-UHFFFAOYSA-N 1 0 414.634 5.212 50 0 HKAARO CCCCN(CC)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004681473 558894710 /nfs/dbraw/zinc/89/47/10/558894710.db2.gz BGMWJDWRDVDDJJ-UHFFFAOYSA-N 1 0 408.586 5.126 50 0 HKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004681513 558894680 /nfs/dbraw/zinc/89/46/80/558894680.db2.gz TVTVMOSTCUXKIN-UHFFFAOYSA-N 1 0 414.549 5.350 50 0 HKAARO C[N@H+](C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1)C1CCCCCC1 ZINC000004683201 558894728 /nfs/dbraw/zinc/89/47/28/558894728.db2.gz UCBFFALMFDLXDL-UHFFFAOYSA-N 1 0 413.553 5.521 50 0 HKAARO COc1ccc(NC(=S)N(CCC(C)C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000004687112 558896041 /nfs/dbraw/zinc/89/60/41/558896041.db2.gz HNDWHMKTONQBSA-UHFFFAOYSA-N 1 0 412.043 5.266 50 0 HKAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)C2CCCCCC2)CC1 ZINC000004688560 558898936 /nfs/dbraw/zinc/89/89/36/558898936.db2.gz IQRZAUFASNLWSL-UHFFFAOYSA-N 1 0 410.027 5.164 50 0 HKAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)cc1Cl ZINC000004688661 558899047 /nfs/dbraw/zinc/89/90/47/558899047.db2.gz RVYVOGJQTXJHOU-UHFFFAOYSA-N 1 0 410.027 5.164 50 0 HKAARO C[C@H](Cc1ccccc1)[NH2+]CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000004697278 568928180 /nfs/dbraw/zinc/92/81/80/568928180.db2.gz MSXWFYBNKMNHSE-MRXNPFEDSA-N 1 0 408.954 5.690 50 0 HKAARO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc(C(C)(C)C)c1O ZINC000004699176 558907204 /nfs/dbraw/zinc/90/72/04/558907204.db2.gz KAMDYDMGGFJGOC-UHFFFAOYSA-N 1 0 414.634 5.258 50 0 HKAARO c1ccc2c(c1)cccc2C[NH+](CCCN1CCOCC1)Cc1cccc2ccccc21 ZINC000004699185 558907198 /nfs/dbraw/zinc/90/71/98/558907198.db2.gz CSZYCWXQYPPZLS-UHFFFAOYSA-N 1 0 424.588 5.718 50 0 HKAARO COc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC ZINC000004699199 558907111 /nfs/dbraw/zinc/90/71/11/558907111.db2.gz DGMKTUPPIQWSRM-KAVGSWPWSA-N 1 0 413.561 5.975 50 0 HKAARO C[NH+](C)CCCN(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl ZINC000004699208 558907118 /nfs/dbraw/zinc/90/71/18/558907118.db2.gz OLEYXIMHNCCJGF-UHFFFAOYSA-N 1 0 420.211 6.254 50 0 HKAARO Clc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)c(Cl)c1 ZINC000004699221 558907137 /nfs/dbraw/zinc/90/71/37/558907137.db2.gz KQHGKDULKFFGCW-FNCQTZNRSA-N 1 0 422.399 7.265 50 0 HKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000004700121 558907854 /nfs/dbraw/zinc/90/78/54/558907854.db2.gz NSGCSJGXVNSCTF-UHFFFAOYSA-N 1 0 414.549 5.316 50 0 HKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)c1ccccc1 ZINC000004700441 558908165 /nfs/dbraw/zinc/90/81/65/558908165.db2.gz GPJGUORWKZOJFI-OAQYLSRUSA-N 1 0 414.549 5.568 50 0 HKAARO COc1cc(CN2CCC([NH+]3CCCCCC3)CC2)ccc1OCc1ccccc1 ZINC000004703443 557584282 /nfs/dbraw/zinc/58/42/82/557584282.db2.gz COBVEBUHCGAGAS-UHFFFAOYSA-N 1 0 408.586 5.115 50 0 HKAARO COC(=O)c1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004710706 558916647 /nfs/dbraw/zinc/91/66/47/558916647.db2.gz WFNJUEPLGOBASU-UHFFFAOYSA-N 1 0 422.544 5.510 50 0 HKAARO CCN1CCN(c2c(Cl)cccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004710901 132284609 /nfs/dbraw/zinc/28/46/09/132284609.db2.gz VKRZLSAJFDWLIH-UHFFFAOYSA-N 1 0 416.009 5.027 50 0 HKAARO CCC1=Nc2cc(C(=O)NCC[NH+]3CCCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004712589 558917796 /nfs/dbraw/zinc/91/77/96/558917796.db2.gz YYOUITHUXSPWKO-UHFFFAOYSA-N 1 0 421.610 5.596 50 0 HKAARO COC(=O)c1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C)c2)CC(C)C)c1 ZINC000004717097 558915852 /nfs/dbraw/zinc/91/58/52/558915852.db2.gz QQIZRBNQIDMYHG-UHFFFAOYSA-N 1 0 404.554 5.290 50 0 HKAARO C[NH+](C)CCCN1c2cccc3c(-c4ccccc4)c(-c4ccccc4)n(c32)CCC1=O ZINC000004718561 558914745 /nfs/dbraw/zinc/91/47/45/558914745.db2.gz YEINLLBEZVHIGR-UHFFFAOYSA-N 1 0 423.560 5.664 50 0 HKAARO CCCCCC[NH+](CCCCCC)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000004718774 558916217 /nfs/dbraw/zinc/91/62/17/558916217.db2.gz RIZPBTBZLCPMSF-UHFFFAOYSA-N 1 0 424.633 5.628 50 0 HKAARO Fc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004722156 557586497 /nfs/dbraw/zinc/58/64/97/557586497.db2.gz ZIGKTWFXZGGXQP-UHFFFAOYSA-N 1 0 415.556 5.769 50 0 HKAARO CCCCCc1ccc(OCCCC[n+]2ccc3c(c2)ncn3C)c(CCCCC)c1 ZINC000004730240 558986839 /nfs/dbraw/zinc/98/68/39/558986839.db2.gz REUPPHCIJKGHFS-UHFFFAOYSA-N 1 0 422.637 6.185 50 0 HKAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744947 559046451 /nfs/dbraw/zinc/04/64/51/559046451.db2.gz KBZQQDJSSIHXRV-HSZRJFAPSA-N 1 0 410.989 5.033 50 0 HKAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744950 559046437 /nfs/dbraw/zinc/04/64/37/559046437.db2.gz KBZQQDJSSIHXRV-QHCPKHFHSA-N 1 0 410.989 5.033 50 0 HKAARO CSc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745059 559046485 /nfs/dbraw/zinc/04/64/85/559046485.db2.gz WPYCCSDWVUEJDE-DEOSSOPVSA-N 1 0 422.638 5.102 50 0 HKAARO CSc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745061 559046460 /nfs/dbraw/zinc/04/64/60/559046460.db2.gz WPYCCSDWVUEJDE-XMMPIXPASA-N 1 0 422.638 5.102 50 0 HKAARO O=C(c1cccs1)N1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004745429 559046430 /nfs/dbraw/zinc/04/64/30/559046430.db2.gz VAXSQEASFFFIGN-UHFFFAOYSA-N 1 0 404.579 5.098 50 0 HKAARO COc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1OCc1ccccc1 ZINC000004745513 557591904 /nfs/dbraw/zinc/59/19/04/557591904.db2.gz TZPRBKKGCHQRGB-UHFFFAOYSA-N 1 0 408.586 5.115 50 0 HKAARO CC[NH+](CC)CCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 ZINC000004752063 557593085 /nfs/dbraw/zinc/59/30/85/557593085.db2.gz MTMIDYXAXFCWRY-UHFFFAOYSA-N 1 0 423.557 5.139 50 0 HKAARO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000004752218 559048776 /nfs/dbraw/zinc/04/87/76/559048776.db2.gz SAEFYKISUNHIDI-UHFFFAOYSA-N 1 0 422.544 5.211 50 0 HKAARO O[C@H](COc1ccc(Br)cc1)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000004755959 557593715 /nfs/dbraw/zinc/59/37/15/557593715.db2.gz UWPIHYCYIFRGKZ-FQEVSTJZSA-N 1 0 410.396 5.156 50 0 HKAARO CC(C)(C)c1cc(CCC2=[NH+]CCc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000004765443 559054765 /nfs/dbraw/zinc/05/47/65/559054765.db2.gz UADSCLOJPZNERG-UHFFFAOYSA-N 1 0 402.582 6.447 50 0 HKAARO CC[C@]1(C)C[C@@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769719 559055649 /nfs/dbraw/zinc/05/56/49/559055649.db2.gz GQLQFNCLQFWVRE-CLJLJLNGSA-N 1 0 407.598 5.374 50 0 HKAARO CC[C@]1(C)C[C@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769722 559055593 /nfs/dbraw/zinc/05/55/93/559055593.db2.gz GQLQFNCLQFWVRE-FTJBHMTQSA-N 1 0 407.598 5.374 50 0 HKAARO CC[C@@]1(C)C[C@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769725 559055639 /nfs/dbraw/zinc/05/56/39/559055639.db2.gz GQLQFNCLQFWVRE-UIOOFZCWSA-N 1 0 407.598 5.374 50 0 HKAARO CC[NH+](CC)P12(Oc3ccccc3O1)O[C@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000004772881 559058171 /nfs/dbraw/zinc/05/81/71/559058171.db2.gz PRSHBXLJYQRYQW-DNQXCXABSA-N 1 0 423.449 6.457 50 0 HKAARO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785716 559063767 /nfs/dbraw/zinc/06/37/67/559063767.db2.gz FWOQAZJKWCARFG-BERHBOFZSA-N 1 0 422.613 5.122 50 0 HKAARO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785718 559063791 /nfs/dbraw/zinc/06/37/91/559063791.db2.gz FWOQAZJKWCARFG-XXAUWVGASA-N 1 0 422.613 5.122 50 0 HKAARO C[C@@]12CN(Cc3cccc(Br)c3)C[C@@](C)(C[N@H+](Cc3ccccc3)C1)C2 ZINC000004790829 559065558 /nfs/dbraw/zinc/06/55/58/559065558.db2.gz DZPHUFWAKUVOBO-ZRZAMGCNSA-N 1 0 413.403 5.183 50 0 HKAARO COc1ccccc1N1CC[NH+](CCCCCCOc2cccc3ccccc32)CC1 ZINC000004794503 132288845 /nfs/dbraw/zinc/28/88/45/132288845.db2.gz ZAHKVFNEZRPWEW-UHFFFAOYSA-N 1 0 418.581 5.610 50 0 HKAARO COc1ccccc1N1CC[NH+](CCCCCCOc2cc(C)ccc2Cl)CC1 ZINC000004794817 132288925 /nfs/dbraw/zinc/28/89/25/132288925.db2.gz KRZBQPMKEXAIBT-UHFFFAOYSA-N 1 0 416.993 5.418 50 0 HKAARO CC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796972 559066372 /nfs/dbraw/zinc/06/63/72/559066372.db2.gz UZWPTDZVUXLWSO-SANMLTNESA-N 1 0 404.598 5.607 50 0 HKAARO CC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796973 559066445 /nfs/dbraw/zinc/06/64/45/559066445.db2.gz UZWPTDZVUXLWSO-AREMUKBSSA-N 1 0 404.598 5.607 50 0 HKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(F)cc2)CCO1 ZINC000004814894 557601275 /nfs/dbraw/zinc/60/12/75/557601275.db2.gz DRZWIKQELHNHHQ-RPBOFIJWSA-N 1 0 415.549 5.240 50 0 HKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(F)cc2)CCO1 ZINC000004814895 557601267 /nfs/dbraw/zinc/60/12/67/557601267.db2.gz DRZWIKQELHNHHQ-DQEYMECFSA-N 1 0 415.549 5.240 50 0 HKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(F)cc2)CCO1 ZINC000004814896 557601226 /nfs/dbraw/zinc/60/12/26/557601226.db2.gz DRZWIKQELHNHHQ-JWQCQUIFSA-N 1 0 415.549 5.240 50 0 HKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(F)cc2)CCO1 ZINC000004814897 557601270 /nfs/dbraw/zinc/60/12/70/557601270.db2.gz DRZWIKQELHNHHQ-LOSJGSFVSA-N 1 0 415.549 5.240 50 0 HKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000004820265 557602506 /nfs/dbraw/zinc/60/25/06/557602506.db2.gz CWVBPMKCELIABZ-DAYGRLMNSA-N 1 0 405.369 5.440 50 0 HKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000004820267 557602525 /nfs/dbraw/zinc/60/25/25/557602525.db2.gz CWVBPMKCELIABZ-RKVPGOIHSA-N 1 0 405.369 5.440 50 0 HKAARO CCOc1ccc(C2=C(C[NH+](C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000004833969 559165133 /nfs/dbraw/zinc/16/51/33/559165133.db2.gz PQBWSADFQMBVPS-RUZDIDTESA-N 1 0 403.497 5.722 50 0 HKAARO CCOc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000004833970 559165117 /nfs/dbraw/zinc/16/51/17/559165117.db2.gz PQBWSADFQMBVPS-VWLOTQADSA-N 1 0 403.497 5.722 50 0 HKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000004834727 559165367 /nfs/dbraw/zinc/16/53/67/559165367.db2.gz PNEJPXCBDXHUIZ-UHFFFAOYSA-N 1 0 411.619 5.071 50 0 HKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000004834751 559165350 /nfs/dbraw/zinc/16/53/50/559165350.db2.gz IZCHBQUTGJMSCP-VWLOTQADSA-N 1 0 409.533 5.319 50 0 HKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000004834752 559165338 /nfs/dbraw/zinc/16/53/38/559165338.db2.gz IZCHBQUTGJMSCP-RUZDIDTESA-N 1 0 409.533 5.319 50 0 HKAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004859476 557607589 /nfs/dbraw/zinc/60/75/89/557607589.db2.gz NYSJESQNLHOFRH-DAYGRLMNSA-N 1 0 405.369 5.725 50 0 HKAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004859478 557607512 /nfs/dbraw/zinc/60/75/12/557607512.db2.gz NYSJESQNLHOFRH-RKVPGOIHSA-N 1 0 405.369 5.725 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004860337 559192880 /nfs/dbraw/zinc/19/28/80/559192880.db2.gz AZDLYSBFWZXLKW-VWLOTQADSA-N 1 0 411.549 5.584 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004860339 559192901 /nfs/dbraw/zinc/19/29/01/559192901.db2.gz AZDLYSBFWZXLKW-RUZDIDTESA-N 1 0 411.549 5.584 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004873392 557609086 /nfs/dbraw/zinc/60/90/86/557609086.db2.gz MVJZVOCRBWDROQ-HSZRJFAPSA-N 1 0 400.563 5.010 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004873394 557609025 /nfs/dbraw/zinc/60/90/25/557609025.db2.gz MVJZVOCRBWDROQ-QHCPKHFHSA-N 1 0 400.563 5.010 50 0 HKAARO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004874248 559195018 /nfs/dbraw/zinc/19/50/18/559195018.db2.gz VESIURGDHUDTLZ-UHFFFAOYSA-N 1 0 413.974 5.223 50 0 HKAARO CCCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004874252 559195014 /nfs/dbraw/zinc/19/50/14/559195014.db2.gz DZFWWAVPDDTZTO-UHFFFAOYSA-N 1 0 401.963 5.078 50 0 HKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004874257 559195023 /nfs/dbraw/zinc/19/50/23/559195023.db2.gz OIIANCGPIKXGPH-UHFFFAOYSA-N 1 0 415.990 5.469 50 0 HKAARO CC(C)C[NH+](CCCNC(=O)c1cc(-c2cccs2)nc2ccccc21)CC(C)C ZINC000004874315 559195005 /nfs/dbraw/zinc/19/50/05/559195005.db2.gz DBZSNWXESPYTSW-UHFFFAOYSA-N 1 0 423.626 5.697 50 0 HKAARO CC(C)C[NH+](CCNC(=O)c1cc(-c2cccs2)nc2ccccc21)CC(C)C ZINC000004874317 559195032 /nfs/dbraw/zinc/19/50/32/559195032.db2.gz YEFHPOIFBLKTBF-UHFFFAOYSA-N 1 0 409.599 5.307 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(Cl)c2)cc1 ZINC000004904199 557611564 /nfs/dbraw/zinc/61/15/64/557611564.db2.gz HSGDZXWWKWTTPD-UHFFFAOYSA-N 1 0 423.940 5.712 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(F)c2)cc1 ZINC000004904202 557611626 /nfs/dbraw/zinc/61/16/26/557611626.db2.gz OVOQXQUCCYJNSF-UHFFFAOYSA-N 1 0 407.485 5.198 50 0 HKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 ZINC000004908118 559201013 /nfs/dbraw/zinc/20/10/13/559201013.db2.gz WBQGKBLODROXBD-QHCPKHFHSA-N 1 0 419.569 5.056 50 0 HKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 ZINC000004908122 559200996 /nfs/dbraw/zinc/20/09/96/559200996.db2.gz WBQGKBLODROXBD-HSZRJFAPSA-N 1 0 419.569 5.056 50 0 HKAARO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1)Cc1ccccc1 ZINC000004908725 559201078 /nfs/dbraw/zinc/20/10/78/559201078.db2.gz NEQASOYQUXSYPA-UHFFFAOYSA-N 1 0 421.928 5.276 50 0 HKAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000004908826 559201085 /nfs/dbraw/zinc/20/10/85/559201085.db2.gz HZOLXPYFFFKORT-UHFFFAOYSA-N 1 0 406.357 5.336 50 0 HKAARO CCc1ccccc1Nc1cc(C(=O)NCC[NH+]2CCCCCC2)c2ccccc2n1 ZINC000004910379 559202081 /nfs/dbraw/zinc/20/20/81/559202081.db2.gz IYWOIVUKGYAZRF-UHFFFAOYSA-N 1 0 416.569 5.147 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000004910557 559202363 /nfs/dbraw/zinc/20/23/63/559202363.db2.gz LYHGXRXTRCTFMN-VWLOTQADSA-N 1 0 411.549 5.584 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000004910564 559202368 /nfs/dbraw/zinc/20/23/68/559202368.db2.gz LYHGXRXTRCTFMN-RUZDIDTESA-N 1 0 411.549 5.584 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1cc(Nc2cc(C)ccc2C)nc2ccccc21 ZINC000004910947 559202551 /nfs/dbraw/zinc/20/25/51/559202551.db2.gz KRWBPTXDECXMLZ-UHFFFAOYSA-N 1 0 404.558 5.057 50 0 HKAARO Cc1ccc(C)c(Nc2cc(C(=O)NCC[NH+]3CCCCCC3)c3ccccc3n2)c1 ZINC000004911019 559202602 /nfs/dbraw/zinc/20/26/02/559202602.db2.gz RZSFSTMDPYBJRB-UHFFFAOYSA-N 1 0 416.569 5.201 50 0 HKAARO Cc1ccc(Nc2cc(C(=O)NCC[NH+]3CCCCCC3)c3ccccc3n2)c(C)c1 ZINC000004911159 559202554 /nfs/dbraw/zinc/20/25/54/559202554.db2.gz WWTQTNMTENFZTH-UHFFFAOYSA-N 1 0 416.569 5.201 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21 ZINC000004911420 559202720 /nfs/dbraw/zinc/20/27/20/559202720.db2.gz INXDLLYQHOUBOI-UHFFFAOYSA-N 1 0 422.598 5.162 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000004911572 559202309 /nfs/dbraw/zinc/20/23/09/559202309.db2.gz PBKPFRILOKBWQA-UHFFFAOYSA-N 1 0 418.585 5.564 50 0 HKAARO COC(=O)c1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000004920678 559206831 /nfs/dbraw/zinc/20/68/31/559206831.db2.gz QXWZRNFXZSQPJW-UHFFFAOYSA-N 1 0 418.581 5.680 50 0 HKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cccc2ccccc21 ZINC000004921974 559207043 /nfs/dbraw/zinc/20/70/43/559207043.db2.gz XJKMLERZKHQCEG-UHFFFAOYSA-N 1 0 409.489 5.017 50 0 HKAARO C[C@@H](c1ccccc1)n1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc2ccsc21 ZINC000004925298 559207700 /nfs/dbraw/zinc/20/77/00/559207700.db2.gz JMLLHABPWOTYDS-MOPGFXCFSA-N 1 0 409.599 5.306 50 0 HKAARO C[C@@H](c1ccccc1)n1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc2ccsc21 ZINC000004925302 559207755 /nfs/dbraw/zinc/20/77/55/559207755.db2.gz JMLLHABPWOTYDS-OALUTQOASA-N 1 0 409.599 5.306 50 0 HKAARO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004925414 557614470 /nfs/dbraw/zinc/61/44/70/557614470.db2.gz PICRONYQSFEHGK-HSZRJFAPSA-N 1 0 415.002 5.195 50 0 HKAARO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004925418 557614367 /nfs/dbraw/zinc/61/43/67/557614367.db2.gz PICRONYQSFEHGK-QHCPKHFHSA-N 1 0 415.002 5.195 50 0 HKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000004926521 559207814 /nfs/dbraw/zinc/20/78/14/559207814.db2.gz MWVBJHRLUFVQQM-UHFFFAOYSA-N 1 0 414.515 6.604 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004927293 559207949 /nfs/dbraw/zinc/20/79/49/559207949.db2.gz IDFZZQVBCPMDAT-JOCHJYFZSA-N 1 0 420.981 5.355 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004927295 559207968 /nfs/dbraw/zinc/20/79/68/559207968.db2.gz IDFZZQVBCPMDAT-QFIPXVFZSA-N 1 0 420.981 5.355 50 0 HKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004929454 559208807 /nfs/dbraw/zinc/20/88/07/559208807.db2.gz MTYVTRSRQOWIQR-JOCHJYFZSA-N 1 0 420.981 5.211 50 0 HKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004929455 559208788 /nfs/dbraw/zinc/20/87/88/559208788.db2.gz MTYVTRSRQOWIQR-QFIPXVFZSA-N 1 0 420.981 5.211 50 0 HKAARO CCCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)N=C(CC)c1ccccc1S2 ZINC000004929498 559208771 /nfs/dbraw/zinc/20/87/71/559208771.db2.gz ANMPTGPAXYWHMQ-UHFFFAOYSA-N 1 0 409.599 5.534 50 0 HKAARO CCC1=Nc2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)ccc2Sc2ccccc21 ZINC000004929505 559208822 /nfs/dbraw/zinc/20/88/22/559208822.db2.gz GOXUSRMJTTULLU-KRWDZBQOSA-N 1 0 407.583 5.286 50 0 HKAARO CCC1=Nc2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc2Sc2ccccc21 ZINC000004929509 559208774 /nfs/dbraw/zinc/20/87/74/559208774.db2.gz GOXUSRMJTTULLU-QGZVFWFLSA-N 1 0 407.583 5.286 50 0 HKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N=C(CC)c1ccccc1S2 ZINC000004929514 559208948 /nfs/dbraw/zinc/20/89/48/559208948.db2.gz FKFAMVYMBKDGSB-UHFFFAOYSA-N 1 0 409.599 5.534 50 0 HKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+](CC)CC)ccc2Sc2ccccc21 ZINC000004929580 559208916 /nfs/dbraw/zinc/20/89/16/559208916.db2.gz HXUNRLYGWQEZJF-UHFFFAOYSA-N 1 0 409.599 5.534 50 0 HKAARO CCCC1=Nc2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CC)ccc2Sc2ccccc21 ZINC000004929633 559208940 /nfs/dbraw/zinc/20/89/40/559208940.db2.gz FGBQHTNHHDIUMW-SFHVURJKSA-N 1 0 407.583 5.286 50 0 HKAARO CCCC1=Nc2cc(C(=O)NC[C@H]3CCC[N@@H+]3CC)ccc2Sc2ccccc21 ZINC000004929639 559208923 /nfs/dbraw/zinc/20/89/23/559208923.db2.gz FGBQHTNHHDIUMW-GOSISDBHSA-N 1 0 407.583 5.286 50 0 HKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N=C(CCC)c1ccccc1S2 ZINC000004929724 559208945 /nfs/dbraw/zinc/20/89/45/559208945.db2.gz LDFXVUFIJIPRBU-UHFFFAOYSA-N 1 0 423.626 5.924 50 0 HKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Sc2ccc(C)cc21 ZINC000004930436 559209280 /nfs/dbraw/zinc/20/92/80/559209280.db2.gz NWVPGGSROSCBFT-UHFFFAOYSA-N 1 0 407.583 5.206 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938253 568950689 /nfs/dbraw/zinc/95/06/89/568950689.db2.gz GAROWWWMANTEFU-OAHLLOKOSA-N 1 0 415.990 5.487 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938256 568950809 /nfs/dbraw/zinc/95/08/09/568950809.db2.gz GAROWWWMANTEFU-HNNXBMFYSA-N 1 0 415.990 5.487 50 0 HKAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938275 559211383 /nfs/dbraw/zinc/21/13/83/559211383.db2.gz OVABSITUMBZVTC-UHFFFAOYSA-N 1 0 403.979 5.345 50 0 HKAARO O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000004938374 559211388 /nfs/dbraw/zinc/21/13/88/559211388.db2.gz UBGFHCHCDUIYNT-UHFFFAOYSA-N 1 0 413.974 5.193 50 0 HKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938403 559211473 /nfs/dbraw/zinc/21/14/73/559211473.db2.gz CUPOASJGMARUEC-UHFFFAOYSA-N 1 0 403.979 5.345 50 0 HKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938512 559211469 /nfs/dbraw/zinc/21/14/69/559211469.db2.gz ODSMXXXGTREECN-GASCZTMLSA-N 1 0 415.990 5.486 50 0 HKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938515 559211487 /nfs/dbraw/zinc/21/14/87/559211487.db2.gz ODSMXXXGTREECN-GJZGRUSLSA-N 1 0 415.990 5.486 50 0 HKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938518 559211456 /nfs/dbraw/zinc/21/14/56/559211456.db2.gz ODSMXXXGTREECN-HUUCEWRRSA-N 1 0 415.990 5.486 50 0 HKAARO CC[NH+](CC)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c(C)c1 ZINC000004949634 559214793 /nfs/dbraw/zinc/21/47/93/559214793.db2.gz XVMBJCYXYCCQDL-QHCPKHFHSA-N 1 0 420.944 5.661 50 0 HKAARO CC[NH+](CC)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c(C)c1 ZINC000004949645 559214823 /nfs/dbraw/zinc/21/48/23/559214823.db2.gz XVMBJCYXYCCQDL-HSZRJFAPSA-N 1 0 420.944 5.661 50 0 HKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(C)cc2)CCO1 ZINC000004951113 559215879 /nfs/dbraw/zinc/21/58/79/559215879.db2.gz FILLLJFDCLPDFW-FTJBHMTQSA-N 1 0 411.586 5.409 50 0 HKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(C)cc2)CCO1 ZINC000004951115 559215858 /nfs/dbraw/zinc/21/58/58/559215858.db2.gz FILLLJFDCLPDFW-UIOOFZCWSA-N 1 0 411.586 5.409 50 0 HKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)Cc1ccccc1 ZINC000004958277 559216298 /nfs/dbraw/zinc/21/62/98/559216298.db2.gz HZSMLOMFQAOLDQ-UHFFFAOYSA-N 1 0 421.972 5.019 50 0 HKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958665 559216313 /nfs/dbraw/zinc/21/63/13/559216313.db2.gz CVNINRBYCRBAIF-CALCHBBNSA-N 1 0 413.993 5.150 50 0 HKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958667 559216434 /nfs/dbraw/zinc/21/64/34/559216434.db2.gz CVNINRBYCRBAIF-IRXDYDNUSA-N 1 0 413.993 5.150 50 0 HKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958669 559216430 /nfs/dbraw/zinc/21/64/30/559216430.db2.gz CVNINRBYCRBAIF-IAGOWNOFSA-N 1 0 413.993 5.150 50 0 HKAARO Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000004961500 559217624 /nfs/dbraw/zinc/21/76/24/559217624.db2.gz VZVQLYSDJFEBKV-UHFFFAOYSA-N 1 0 416.569 5.134 50 0 HKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc1C ZINC000004961503 559217629 /nfs/dbraw/zinc/21/76/29/559217629.db2.gz OCQNBUVLXCDYHG-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCCC[NH+]4CCCCCC4)sc3c2c1 ZINC000004961575 559217686 /nfs/dbraw/zinc/21/76/86/559217686.db2.gz WWLNGKUIQJAFSW-UHFFFAOYSA-N 1 0 415.990 5.407 50 0 HKAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961577 559217699 /nfs/dbraw/zinc/21/76/99/559217699.db2.gz YOLCJXBMKUPTFD-UHFFFAOYSA-N 1 0 403.979 5.263 50 0 HKAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961578 559217668 /nfs/dbraw/zinc/21/76/68/559217668.db2.gz KCIDOCBCDNXQGW-UHFFFAOYSA-N 1 0 403.979 5.263 50 0 HKAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961579 559217684 /nfs/dbraw/zinc/21/76/84/559217684.db2.gz BPJKKPIDRBPNDP-UHFFFAOYSA-N 1 0 418.006 5.653 50 0 HKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[NH+]4CCCCCC4)sc3c2c1 ZINC000004961653 559217803 /nfs/dbraw/zinc/21/78/03/559217803.db2.gz OLWNJAFENBXKNY-UHFFFAOYSA-N 1 0 401.963 5.017 50 0 HKAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977770 557619604 /nfs/dbraw/zinc/61/96/04/557619604.db2.gz KXBMQPHGEBSHNK-LJQANCHMSA-N 1 0 400.950 5.213 50 0 HKAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977772 557619656 /nfs/dbraw/zinc/61/96/56/557619656.db2.gz KXBMQPHGEBSHNK-IBGZPJMESA-N 1 0 400.950 5.213 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1C ZINC000004978494 559222192 /nfs/dbraw/zinc/22/21/92/559222192.db2.gz JLSBEUXZEJPPBL-HSZRJFAPSA-N 1 0 417.018 5.525 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1C ZINC000004978501 559222222 /nfs/dbraw/zinc/22/22/22/559222222.db2.gz JLSBEUXZEJPPBL-QHCPKHFHSA-N 1 0 417.018 5.525 50 0 HKAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980377 132297399 /nfs/dbraw/zinc/29/73/99/132297399.db2.gz KCQBXTRGJHSTQQ-HNNXBMFYSA-N 1 0 416.409 5.477 50 0 HKAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980378 132297390 /nfs/dbraw/zinc/29/73/90/132297390.db2.gz KCQBXTRGJHSTQQ-OAHLLOKOSA-N 1 0 416.409 5.477 50 0 HKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 ZINC000004980383 132297362 /nfs/dbraw/zinc/29/73/62/132297362.db2.gz CZUVZZHXNLRXNJ-UHFFFAOYSA-N 1 0 408.467 5.599 50 0 HKAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1OCc1ccccc1 ZINC000004985701 557620897 /nfs/dbraw/zinc/62/08/97/557620897.db2.gz VLRBSIRKSQHOLQ-UHFFFAOYSA-N 1 0 403.497 5.703 50 0 HKAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000004988068 557621632 /nfs/dbraw/zinc/62/16/32/557621632.db2.gz GLEUPKCYTMEQNJ-UHFFFAOYSA-N 1 0 401.550 5.729 50 0 HKAARO O=c1c(C[NH+]2CCC(Cc3ccccc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000004988837 557621922 /nfs/dbraw/zinc/62/19/22/557621922.db2.gz XNYZSGLFSAILKQ-UHFFFAOYSA-N 1 0 402.321 5.555 50 0 HKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC000004992313 559224889 /nfs/dbraw/zinc/22/48/89/559224889.db2.gz GHPXTZUZYMARJR-RPWUZVMVSA-N 1 0 424.972 5.291 50 0 HKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC000004992314 559224847 /nfs/dbraw/zinc/22/48/47/559224847.db2.gz GHPXTZUZYMARJR-ZEQRLZLVSA-N 1 0 424.972 5.291 50 0 HKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC000004992315 559224866 /nfs/dbraw/zinc/22/48/66/559224866.db2.gz GHPXTZUZYMARJR-DNQXCXABSA-N 1 0 424.972 5.291 50 0 HKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC000004992316 559224836 /nfs/dbraw/zinc/22/48/36/559224836.db2.gz GHPXTZUZYMARJR-BJKOFHAPSA-N 1 0 424.972 5.291 50 0 HKAARO COc1cc(C[NH2+]CC(C)C)c(Br)cc1OCc1ccccc1Cl ZINC000005013802 557625509 /nfs/dbraw/zinc/62/55/09/557625509.db2.gz QXLCWCLEYBDBCY-UHFFFAOYSA-N 1 0 412.755 5.436 50 0 HKAARO COc1ccc2cc(-c3nn(-c4ccccc4)cc3C[NH2+]Cc3ccccc3)ccc2c1 ZINC000005014095 557625871 /nfs/dbraw/zinc/62/58/71/557625871.db2.gz UFXQOHMLHSYFGA-UHFFFAOYSA-N 1 0 419.528 5.991 50 0 HKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 ZINC000005024398 559229883 /nfs/dbraw/zinc/22/98/83/559229883.db2.gz DZYXLXFXKIWHKF-PNTFMKQHSA-N 1 0 416.005 6.162 50 0 HKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 ZINC000005024399 559229885 /nfs/dbraw/zinc/22/98/85/559229885.db2.gz DZYXLXFXKIWHKF-QTLGCAHFSA-N 1 0 416.005 6.162 50 0 HKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000005024825 557627135 /nfs/dbraw/zinc/62/71/35/557627135.db2.gz VJRNJFGPKMJBSQ-KSNOWIBYSA-N 1 0 400.006 6.462 50 0 HKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005024827 557627116 /nfs/dbraw/zinc/62/71/16/557627116.db2.gz VJRNJFGPKMJBSQ-BUUDZMLXSA-N 1 0 400.006 6.462 50 0 HKAARO COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025076 557627177 /nfs/dbraw/zinc/62/71/77/557627177.db2.gz VXHVUKKYMOSWJM-NLIITUHUSA-N 1 0 401.550 5.612 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000005027719 560736764 /nfs/dbraw/zinc/73/67/64/560736764.db2.gz NDPIVOZPGXOREI-JHMRYYBSSA-N 1 0 408.380 5.161 50 0 HKAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000005027720 560736793 /nfs/dbraw/zinc/73/67/93/560736793.db2.gz NDPIVOZPGXOREI-BUBBNXEVSA-N 1 0 408.380 5.161 50 0 HKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000005043335 559236240 /nfs/dbraw/zinc/23/62/40/559236240.db2.gz SRSUDIAFXCVJQZ-UHFFFAOYSA-N 1 0 423.601 5.400 50 0 HKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000005043391 559236210 /nfs/dbraw/zinc/23/62/10/559236210.db2.gz NZMPXAVHVSKSSI-WCAVRKLYSA-N 1 0 423.601 5.111 50 0 HKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000005043407 559236218 /nfs/dbraw/zinc/23/62/18/559236218.db2.gz NZMPXAVHVSKSSI-HFJQGTKSSA-N 1 0 423.601 5.111 50 0 HKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NC4CCCCCC4)CC3)c(C)o2)cc1 ZINC000005043501 559236352 /nfs/dbraw/zinc/23/63/52/559236352.db2.gz VTQNKODLIOJXBV-UHFFFAOYSA-N 1 0 423.601 5.263 50 0 HKAARO Cc1cccc2c1-c1sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc1CO2 ZINC000005049608 559236456 /nfs/dbraw/zinc/23/64/56/559236456.db2.gz MQJCSQTZESPCAR-UHFFFAOYSA-N 1 0 418.562 5.010 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000005050338 569071712 /nfs/dbraw/zinc/07/17/12/569071712.db2.gz NPMUOLZCKWSOGS-UHFFFAOYSA-N 1 0 400.522 5.504 50 0 HKAARO CCc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000005051074 559237020 /nfs/dbraw/zinc/23/70/20/559237020.db2.gz TZAXSHCXXVEWNL-UHFFFAOYSA-N 1 0 407.517 5.692 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055219 557631944 /nfs/dbraw/zinc/63/19/44/557631944.db2.gz KAANBDWBTSXQKU-HXUWFJFHSA-N 1 0 414.557 5.011 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055220 557631967 /nfs/dbraw/zinc/63/19/67/557631967.db2.gz KAANBDWBTSXQKU-FQEVSTJZSA-N 1 0 414.557 5.011 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Nc1cccc2ccccc21 ZINC000005060334 557632588 /nfs/dbraw/zinc/63/25/88/557632588.db2.gz GTHRPSDGMMNAJD-UHFFFAOYSA-N 1 0 401.514 5.175 50 0 HKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1csc2c1CCCCC2 ZINC000005070452 559240677 /nfs/dbraw/zinc/24/06/77/559240677.db2.gz FUGQUMYCRBDYQM-UHFFFAOYSA-N 1 0 410.627 5.092 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005092438 559244031 /nfs/dbraw/zinc/24/40/31/559244031.db2.gz LWRBYPZAAZEDAP-SANMLTNESA-N 1 0 423.560 5.709 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005092441 559244059 /nfs/dbraw/zinc/24/40/59/559244059.db2.gz LWRBYPZAAZEDAP-AREMUKBSSA-N 1 0 423.560 5.709 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000005092698 559244068 /nfs/dbraw/zinc/24/40/68/559244068.db2.gz ULXVZOXVDHHWGV-FQEVSTJZSA-N 1 0 416.352 5.349 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000005092701 559244035 /nfs/dbraw/zinc/24/40/35/559244035.db2.gz ULXVZOXVDHHWGV-HXUWFJFHSA-N 1 0 416.352 5.349 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000005092932 559244112 /nfs/dbraw/zinc/24/41/12/559244112.db2.gz IXKSMAWTHOQNQN-FQEVSTJZSA-N 1 0 416.352 5.349 50 0 HKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000005092933 559244160 /nfs/dbraw/zinc/24/41/60/559244160.db2.gz IXKSMAWTHOQNQN-HXUWFJFHSA-N 1 0 416.352 5.349 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092991 569282978 /nfs/dbraw/zinc/28/29/78/569282978.db2.gz VFAWGBCDSAPHQM-VWLOTQADSA-N 1 0 411.549 5.585 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092995 569282982 /nfs/dbraw/zinc/28/29/82/569282982.db2.gz VFAWGBCDSAPHQM-RUZDIDTESA-N 1 0 411.549 5.585 50 0 HKAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000005093026 559244122 /nfs/dbraw/zinc/24/41/22/559244122.db2.gz BTNJQQQLFMHFSK-QHCPKHFHSA-N 1 0 413.521 5.124 50 0 HKAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000005093030 559244136 /nfs/dbraw/zinc/24/41/36/559244136.db2.gz BTNJQQQLFMHFSK-HSZRJFAPSA-N 1 0 413.521 5.124 50 0 HKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093672 559244276 /nfs/dbraw/zinc/24/42/76/559244276.db2.gz FWIMWRAGFVUMJK-AMHVUCMBSA-N 1 0 403.541 6.152 50 0 HKAARO COC(=O)c1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(C)cc1 ZINC000005097481 559245120 /nfs/dbraw/zinc/24/51/20/559245120.db2.gz GUZZJBNCABHZDS-UHFFFAOYSA-N 1 0 418.581 5.680 50 0 HKAARO O=C(NCCc1ccccc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005102801 557636327 /nfs/dbraw/zinc/63/63/27/557636327.db2.gz RGXPMYXGDYNWOW-UHFFFAOYSA-N 1 0 412.577 5.114 50 0 HKAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)sc2c1 ZINC000005115182 559247305 /nfs/dbraw/zinc/24/73/05/559247305.db2.gz RFTNNRHTPXDKGQ-UHFFFAOYSA-N 1 0 419.550 5.057 50 0 HKAARO C[NH+](C)CCN(C(=O)CCSc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000005115335 559247320 /nfs/dbraw/zinc/24/73/20/559247320.db2.gz XESGONVWHLVDMD-UHFFFAOYSA-N 1 0 420.003 5.027 50 0 HKAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc21 ZINC000005115629 559247354 /nfs/dbraw/zinc/24/73/54/559247354.db2.gz VRDIOSMTCFLAIU-UHFFFAOYSA-N 1 0 419.550 5.057 50 0 HKAARO CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=[NH2+])oc2c1 ZINC000005118892 559247422 /nfs/dbraw/zinc/24/74/22/559247422.db2.gz MNZIDYDKYVQMSS-UHFFFAOYSA-N 1 0 403.404 5.030 50 0 HKAARO C[NH+](C)CCN(C(=O)CCSc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000005121433 559247877 /nfs/dbraw/zinc/24/78/77/559247877.db2.gz QWATWOQVCQCCGO-UHFFFAOYSA-N 1 0 420.003 5.027 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 ZINC000005121851 559248563 /nfs/dbraw/zinc/24/85/63/559248563.db2.gz WOWAMVWHVSZYFC-UHFFFAOYSA-N 1 0 405.926 5.077 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Cl)cc2s1 ZINC000005121882 559248471 /nfs/dbraw/zinc/24/84/71/559248471.db2.gz PVMYGZSZIZEMOK-UHFFFAOYSA-N 1 0 401.963 5.247 50 0 HKAARO CC[NH+](CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000005121889 559248487 /nfs/dbraw/zinc/24/84/87/559248487.db2.gz GROQKLBZGVOENP-CSKARUKUSA-N 1 0 420.003 5.399 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2cc(C)cc(C)c2s1 ZINC000005122159 559248626 /nfs/dbraw/zinc/24/86/26/559248626.db2.gz HGRUFHBSRGCCQD-UHFFFAOYSA-N 1 0 423.582 5.104 50 0 HKAARO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005123329 557637393 /nfs/dbraw/zinc/63/73/93/557637393.db2.gz HHOUATCPQDHGTB-UHFFFAOYSA-N 1 0 402.513 5.533 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000005135409 559250399 /nfs/dbraw/zinc/25/03/99/559250399.db2.gz YNYCCCCIGYKPGZ-UHFFFAOYSA-N 1 0 415.990 5.434 50 0 HKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1SC2 ZINC000005141801 559251716 /nfs/dbraw/zinc/25/17/16/559251716.db2.gz DXMTYDIGMRQILA-UHFFFAOYSA-N 1 0 420.603 5.199 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152890 559254208 /nfs/dbraw/zinc/25/42/08/559254208.db2.gz VHYXOKLPKCCEFV-RRPNLBNLSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152901 559254230 /nfs/dbraw/zinc/25/42/30/559254230.db2.gz VHYXOKLPKCCEFV-SVBPBHIXSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152906 559254204 /nfs/dbraw/zinc/25/42/04/559254204.db2.gz VHYXOKLPKCCEFV-KAYWLYCHSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152913 559254218 /nfs/dbraw/zinc/25/42/18/559254218.db2.gz VHYXOKLPKCCEFV-SXOMAYOGSA-N 1 0 409.614 6.123 50 0 HKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163658 559275559 /nfs/dbraw/zinc/27/55/59/559275559.db2.gz WHZYEDGTWVFQTK-ZTCOLXNVSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163660 559275585 /nfs/dbraw/zinc/27/55/85/559275585.db2.gz WHZYEDGTWVFQTK-HUVFLSCGSA-N 1 0 415.961 5.226 50 0 HKAARO CCCCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)C[C@](C)(CC)OC3 ZINC000005164879 559277229 /nfs/dbraw/zinc/27/72/29/559277229.db2.gz KYXAJDYQBKXAKG-NRFANRHFSA-N 1 0 422.664 5.189 50 0 HKAARO CCCCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)C[C@@](C)(CC)OC3 ZINC000005164880 559277500 /nfs/dbraw/zinc/27/75/00/559277500.db2.gz KYXAJDYQBKXAKG-OAQYLSRUSA-N 1 0 422.664 5.189 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(Cl)nc1 ZINC000005205728 557640064 /nfs/dbraw/zinc/64/00/64/557640064.db2.gz JFPAGMJGVABGQE-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215226 560542904 /nfs/dbraw/zinc/54/29/04/560542904.db2.gz SCUTXQRXFFYAIA-IEXUWNMDSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215227 560542911 /nfs/dbraw/zinc/54/29/11/560542911.db2.gz SCUTXQRXFFYAIA-FOVJLYNBSA-N 1 0 415.961 5.226 50 0 HKAARO CCSc1nc2sc3c(c2c(NCCC[NH+](CC)CC)n1)C[C@@](C)(CC)OC3 ZINC000005215575 560543267 /nfs/dbraw/zinc/54/32/67/560543267.db2.gz FOMUKPAOHOSUHR-OAQYLSRUSA-N 1 0 422.664 5.189 50 0 HKAARO CCSc1nc2sc3c(c2c(NCCC[NH+](CC)CC)n1)C[C@](C)(CC)OC3 ZINC000005215577 560543227 /nfs/dbraw/zinc/54/32/27/560543227.db2.gz FOMUKPAOHOSUHR-NRFANRHFSA-N 1 0 422.664 5.189 50 0 HKAARO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000005217033 560543827 /nfs/dbraw/zinc/54/38/27/560543827.db2.gz GLHGQZPOQWRWTJ-ZTCOLXNVSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000005217037 560543832 /nfs/dbraw/zinc/54/38/32/560543832.db2.gz GLHGQZPOQWRWTJ-HUVFLSCGSA-N 1 0 415.961 5.226 50 0 HKAARO C[NH+](C)CCN(C(=O)CCSc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000005239536 560548947 /nfs/dbraw/zinc/54/89/47/560548947.db2.gz SFMXYPKRSKNYIC-UHFFFAOYSA-N 1 0 420.003 5.027 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2s1 ZINC000005239802 558453354 /nfs/dbraw/zinc/45/33/54/558453354.db2.gz FPHJPNWFRUIGNF-UHFFFAOYSA-N 1 0 411.571 5.072 50 0 HKAARO CSc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2c(s1)c(Cl)ccc2C ZINC000005242694 560549668 /nfs/dbraw/zinc/54/96/68/560549668.db2.gz HHMJXDJORANRSE-UHFFFAOYSA-N 1 0 420.003 5.188 50 0 HKAARO CSc1cccc(C(=O)N(CC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3C)c1 ZINC000005242695 560549688 /nfs/dbraw/zinc/54/96/88/560549688.db2.gz JIQDSNVGYSKOCP-UHFFFAOYSA-N 1 0 420.003 5.188 50 0 HKAARO CSc1cccc(C(=O)N(CC[NH+](C)C)c2nc3c(ccc(Cl)c3C)s2)c1 ZINC000005242706 558466784 /nfs/dbraw/zinc/46/67/84/558466784.db2.gz CYJQSSMRKYCLFE-UHFFFAOYSA-N 1 0 420.003 5.188 50 0 HKAARO COc1ccccc1C[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000005242710 560549802 /nfs/dbraw/zinc/54/98/02/560549802.db2.gz LOJGETLPSBIKHH-HZFUHODCSA-N 1 0 405.626 6.619 50 0 HKAARO CC(C)(C)C1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000005243166 560549940 /nfs/dbraw/zinc/54/99/40/560549940.db2.gz GPZXUDZTGMBTFC-MRXNPFEDSA-N 1 0 403.857 5.327 50 0 HKAARO CC(C)(C)C1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000005243167 560549964 /nfs/dbraw/zinc/54/99/64/560549964.db2.gz GPZXUDZTGMBTFC-INIZCTEOSA-N 1 0 403.857 5.327 50 0 HKAARO COc1ccc(C[NH2+]CC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 ZINC000005244808 557641421 /nfs/dbraw/zinc/64/14/21/557641421.db2.gz WRZOPSWJIOVNQU-QHCPKHFHSA-N 1 0 421.503 5.721 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 ZINC000005244811 557641411 /nfs/dbraw/zinc/64/14/11/557641411.db2.gz WRZOPSWJIOVNQU-HSZRJFAPSA-N 1 0 421.503 5.721 50 0 HKAARO CC(C)c1nc2sc3c(ncnc3SCC[NH+]3CCCCC3)c2c2c1CCC2 ZINC000005253956 560552022 /nfs/dbraw/zinc/55/20/22/560552022.db2.gz KYLWIXJJRKVKMJ-UHFFFAOYSA-N 1 0 412.628 5.430 50 0 HKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000005267400 560553950 /nfs/dbraw/zinc/55/39/50/560553950.db2.gz GYYPLBBYBCVLSO-DEOSSOPVSA-N 1 0 409.570 6.046 50 0 HKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000005267403 560553982 /nfs/dbraw/zinc/55/39/82/560553982.db2.gz GYYPLBBYBCVLSO-XMMPIXPASA-N 1 0 409.570 6.046 50 0 HKAARO CSc1ccc(/C=C/c2nc(-c3ccccc3O)n(CC[NH+]3CCCCC3)n2)cc1 ZINC000005274462 560561445 /nfs/dbraw/zinc/56/14/45/560561445.db2.gz JPBFJGSSINSKBI-SDNWHVSQSA-N 1 0 420.582 5.029 50 0 HKAARO C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000005275003 560561633 /nfs/dbraw/zinc/56/16/33/560561633.db2.gz TUYBBCIRRSHTAP-OMXAPOSASA-N 1 0 415.868 5.327 50 0 HKAARO C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000005275005 560561623 /nfs/dbraw/zinc/56/16/23/560561623.db2.gz TUYBBCIRRSHTAP-JUKMUDQWSA-N 1 0 415.868 5.327 50 0 HKAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275053 560561594 /nfs/dbraw/zinc/56/15/94/560561594.db2.gz PMFZIXADCAPVCH-CXAGYDPISA-N 1 0 415.868 5.471 50 0 HKAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275054 560561629 /nfs/dbraw/zinc/56/16/29/560561629.db2.gz PMFZIXADCAPVCH-DYVFJYSZSA-N 1 0 415.868 5.471 50 0 HKAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275055 560561618 /nfs/dbraw/zinc/56/16/18/560561618.db2.gz PMFZIXADCAPVCH-SUMWQHHRSA-N 1 0 415.868 5.471 50 0 HKAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275056 560561667 /nfs/dbraw/zinc/56/16/67/560561667.db2.gz PMFZIXADCAPVCH-GUYCJALGSA-N 1 0 415.868 5.471 50 0 HKAARO CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)[N+](=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)S1 ZINC000005284219 569009344 /nfs/dbraw/zinc/00/93/44/569009344.db2.gz IDXQZPCGIYWREC-UHFFFAOYSA-N 1 0 414.679 8.542 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000005296416 560562407 /nfs/dbraw/zinc/56/24/07/560562407.db2.gz SZKFGMWDEZPUCX-VWLOTQADSA-N 1 0 411.549 5.585 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000005296419 560562414 /nfs/dbraw/zinc/56/24/14/560562414.db2.gz SZKFGMWDEZPUCX-RUZDIDTESA-N 1 0 411.549 5.585 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005296803 560562448 /nfs/dbraw/zinc/56/24/48/560562448.db2.gz AAKKBDRKAVVXOV-QFIPXVFZSA-N 1 0 409.961 5.394 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005296806 560562473 /nfs/dbraw/zinc/56/24/73/560562473.db2.gz AAKKBDRKAVVXOV-JOCHJYFZSA-N 1 0 409.961 5.394 50 0 HKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000005296846 560562461 /nfs/dbraw/zinc/56/24/61/560562461.db2.gz FSMAYSRFZZKQCJ-VWLOTQADSA-N 1 0 411.630 6.961 50 0 HKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000005296848 560562475 /nfs/dbraw/zinc/56/24/75/560562475.db2.gz FSMAYSRFZZKQCJ-RUZDIDTESA-N 1 0 411.630 6.961 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005297340 560562436 /nfs/dbraw/zinc/56/24/36/560562436.db2.gz KAJBUMKEKNZLFR-QFIPXVFZSA-N 1 0 409.961 5.392 50 0 HKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005297342 560562466 /nfs/dbraw/zinc/56/24/66/560562466.db2.gz KAJBUMKEKNZLFR-JOCHJYFZSA-N 1 0 409.961 5.392 50 0 HKAARO CC1(C)C[C@@](CC[NH2+]Cc2ccc(Cl)cc2)(Cc2ccccc2Cl)CCO1 ZINC000005297394 557643840 /nfs/dbraw/zinc/64/38/40/557643840.db2.gz FGZPBWPALAFDLD-HSZRJFAPSA-N 1 0 406.397 6.291 50 0 HKAARO CC1(C)C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(Cc2ccccc2Cl)CCO1 ZINC000005297396 557643897 /nfs/dbraw/zinc/64/38/97/557643897.db2.gz FGZPBWPALAFDLD-QHCPKHFHSA-N 1 0 406.397 6.291 50 0 HKAARO COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000005297523 557643936 /nfs/dbraw/zinc/64/39/36/557643936.db2.gz LBZBPKDJKRLGPE-XMMPIXPASA-N 1 0 401.978 5.646 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000005297525 557643851 /nfs/dbraw/zinc/64/38/51/557643851.db2.gz LBZBPKDJKRLGPE-DEOSSOPVSA-N 1 0 401.978 5.646 50 0 HKAARO CCCCCCOCC[NH+](CCOCCCCCC)CCOCCCCCC ZINC000005297639 557643871 /nfs/dbraw/zinc/64/38/71/557643871.db2.gz KTRBHWYAVSJAKJ-UHFFFAOYSA-N 1 0 401.676 6.079 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1c(C)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005297940 560562454 /nfs/dbraw/zinc/56/24/54/560562454.db2.gz IQOAPWMPEWUSKE-QFIPXVFZSA-N 1 0 409.961 5.394 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1c(C)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005297942 560562463 /nfs/dbraw/zinc/56/24/63/560562463.db2.gz IQOAPWMPEWUSKE-JOCHJYFZSA-N 1 0 409.961 5.394 50 0 HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 ZINC000005307679 560563664 /nfs/dbraw/zinc/56/36/64/560563664.db2.gz SOWMBDZUTKYBOB-MUUNZHRXSA-N 1 0 423.641 7.105 50 0 HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 ZINC000005307682 560563655 /nfs/dbraw/zinc/56/36/55/560563655.db2.gz SOWMBDZUTKYBOB-NDEPHWFRSA-N 1 0 423.641 7.105 50 0 HKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005308847 557644189 /nfs/dbraw/zinc/64/41/89/557644189.db2.gz PDXVYZCYGBPUAD-VVZGZWEYSA-N 1 0 413.605 6.889 50 0 HKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005336410 560567014 /nfs/dbraw/zinc/56/70/14/560567014.db2.gz MAIAKFREYFMMMC-RUZDIDTESA-N 1 0 420.556 5.858 50 0 HKAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005424600 557653196 /nfs/dbraw/zinc/65/31/96/557653196.db2.gz NYSJESQNLHOFRH-RVKKMQEKSA-N 1 0 405.369 5.725 50 0 HKAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1OC ZINC000005477642 560594747 /nfs/dbraw/zinc/59/47/47/560594747.db2.gz DMCQEBYHMSYASW-QHCPKHFHSA-N 1 0 413.602 6.191 50 0 HKAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1OC ZINC000005477643 560594732 /nfs/dbraw/zinc/59/47/32/560594732.db2.gz DMCQEBYHMSYASW-HSZRJFAPSA-N 1 0 413.602 6.191 50 0 HKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1 ZINC000005477705 560594736 /nfs/dbraw/zinc/59/47/36/560594736.db2.gz DMVZUYVZIZNHHB-QHCPKHFHSA-N 1 0 409.501 5.163 50 0 HKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1 ZINC000005477706 560594726 /nfs/dbraw/zinc/59/47/26/560594726.db2.gz DMVZUYVZIZNHHB-HSZRJFAPSA-N 1 0 409.501 5.163 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CC[NH+](C)CC1)O2 ZINC000005478446 560595200 /nfs/dbraw/zinc/59/52/00/560595200.db2.gz SAOVAMPHQMDJNU-FQEVSTJZSA-N 1 0 416.352 5.267 50 0 HKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CC[NH+](C)CC1)O2 ZINC000005478447 560595182 /nfs/dbraw/zinc/59/51/82/560595182.db2.gz SAOVAMPHQMDJNU-HXUWFJFHSA-N 1 0 416.352 5.267 50 0 HKAARO c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)[s+]2)cc1 ZINC000005490735 569018307 /nfs/dbraw/zinc/01/83/07/569018307.db2.gz JFZOKAPJZRVBSL-UHFFFAOYSA-N 1 0 401.554 8.697 50 0 HKAARO CC(C)CC[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000005499221 560598272 /nfs/dbraw/zinc/59/82/72/560598272.db2.gz OWFDAHUBFQIBJD-REWPJTCUSA-N 1 0 402.022 7.388 50 0 HKAARO CC(C)CC[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000005499224 568940551 /nfs/dbraw/zinc/94/05/51/568940551.db2.gz OWFDAHUBFQIBJD-NZQKXSOJSA-N 1 0 402.022 7.388 50 0 HKAARO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000005499227 560598263 /nfs/dbraw/zinc/59/82/63/560598263.db2.gz OWFDAHUBFQIBJD-OFNKIYASSA-N 1 0 402.022 7.388 50 0 HKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000005499232 560598264 /nfs/dbraw/zinc/59/82/64/560598264.db2.gz OWFDAHUBFQIBJD-NFBKMPQASA-N 1 0 402.022 7.388 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005499854 560598366 /nfs/dbraw/zinc/59/83/66/560598366.db2.gz JWEDLZSOKGASAB-QFIPXVFZSA-N 1 0 409.961 5.394 50 0 HKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005499859 560598358 /nfs/dbraw/zinc/59/83/58/560598358.db2.gz JWEDLZSOKGASAB-JOCHJYFZSA-N 1 0 409.961 5.394 50 0 HKAARO Cc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005499900 560598418 /nfs/dbraw/zinc/59/84/18/560598418.db2.gz CCURQVIDEDJLLQ-JOCHJYFZSA-N 1 0 409.961 5.392 50 0 HKAARO Cc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000005499902 560598338 /nfs/dbraw/zinc/59/83/38/560598338.db2.gz CCURQVIDEDJLLQ-QFIPXVFZSA-N 1 0 409.961 5.392 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005499929 560598403 /nfs/dbraw/zinc/59/84/03/560598403.db2.gz CLBGSIPBFRQRGK-QFIPXVFZSA-N 1 0 409.961 5.392 50 0 HKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005499930 560598414 /nfs/dbraw/zinc/59/84/14/560598414.db2.gz CLBGSIPBFRQRGK-JOCHJYFZSA-N 1 0 409.961 5.392 50 0 HKAARO CCCCCc1ccc(OCCCC[n+]2c(C)cc(C)cc2C)c(CCCCC)c1 ZINC000005503135 557658748 /nfs/dbraw/zinc/65/87/48/557658748.db2.gz LHWNIIIKTUMLGN-UHFFFAOYSA-N 1 0 410.666 7.224 50 0 HKAARO CCCCCc1ccc(OCCCC[n+]2cc(CC)ccc2C)c(CCCCC)c1 ZINC000005503141 557658836 /nfs/dbraw/zinc/65/88/36/557658836.db2.gz YDEJVCFRSCMXDF-UHFFFAOYSA-N 1 0 410.666 7.170 50 0 HKAARO CCCCCc1ccc(OCCCC[n+]2ccc3ccccc3c2)c(CCCCC)c1 ZINC000005503165 557658799 /nfs/dbraw/zinc/65/87/99/557658799.db2.gz WNOWQSHHRBMXOA-UHFFFAOYSA-N 1 0 418.645 7.452 50 0 HKAARO CCOC(=O)c1c(C[NH+](CC)CC)oc2c1c(Cl)c(OC(C)=O)c1ccccc21 ZINC000005509478 560600615 /nfs/dbraw/zinc/60/06/15/560600615.db2.gz XDYHIDIKRFJIQX-UHFFFAOYSA-N 1 0 417.889 5.183 50 0 HKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000005517991 560604567 /nfs/dbraw/zinc/60/45/67/560604567.db2.gz BLHMFYDBWSNAGG-AREMUKBSSA-N 1 0 407.529 5.933 50 0 HKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000005517994 560604551 /nfs/dbraw/zinc/60/45/51/560604551.db2.gz BLHMFYDBWSNAGG-SANMLTNESA-N 1 0 407.529 5.933 50 0 HKAARO C[C@@]12CN(Cc3ccc(Br)cc3)C[C@@](C)(C[N@H+](Cc3ccccc3)C1)C2 ZINC000005531150 560607092 /nfs/dbraw/zinc/60/70/92/560607092.db2.gz FKBSJNGFRWUAAW-ZRZAMGCNSA-N 1 0 413.403 5.183 50 0 HKAARO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005554217 560626199 /nfs/dbraw/zinc/62/61/99/560626199.db2.gz SDTFOLHRRAPYRQ-RUZDIDTESA-N 1 0 419.568 6.252 50 0 HKAARO O[C@@H](CC1c2ccccc2-c2ccccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005554224 560608949 /nfs/dbraw/zinc/60/89/49/560608949.db2.gz SDTFOLHRRAPYRQ-VWLOTQADSA-N 1 0 419.568 6.252 50 0 HKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C3CCCC3)CC2)c1-c1ccccc1 ZINC000005560914 132306797 /nfs/dbraw/zinc/30/67/97/132306797.db2.gz NPKJZZBECQUUNU-UHFFFAOYSA-N 1 0 417.601 5.067 50 0 HKAARO CCCc1n(Cc2ccc(Cl)cc2)c2ccccc2[n+]1Cc1ccc(Cl)cc1 ZINC000005567988 557662363 /nfs/dbraw/zinc/66/23/63/557662363.db2.gz BTIFFWSDEOFIDI-UHFFFAOYSA-N 1 0 410.368 6.285 50 0 HKAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000005578590 557662998 /nfs/dbraw/zinc/66/29/98/557662998.db2.gz MYBVFDLXEHKLBT-UHFFFAOYSA-N 1 0 414.549 5.402 50 0 HKAARO CCOC(=O)c1c(NC(=O)C[NH2+]CCC(C)C)sc(Cl)c1-c1ccc(C)cc1 ZINC000005598403 560628568 /nfs/dbraw/zinc/62/85/68/560628568.db2.gz FKPGIWZXAIWQLQ-UHFFFAOYSA-N 1 0 422.978 5.128 50 0 HKAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005602853 560628765 /nfs/dbraw/zinc/62/87/65/560628765.db2.gz LNOOMIWKLWUWAM-MHZLTWQESA-N 1 0 415.577 5.108 50 0 HKAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005602855 560628823 /nfs/dbraw/zinc/62/88/23/560628823.db2.gz LNOOMIWKLWUWAM-HHHXNRCGSA-N 1 0 415.577 5.108 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005602942 560628811 /nfs/dbraw/zinc/62/88/11/560628811.db2.gz FQCKFBWOIYBMAE-YADHBBJMSA-N 1 0 422.396 5.725 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005602945 560628784 /nfs/dbraw/zinc/62/87/84/560628784.db2.gz FQCKFBWOIYBMAE-VXKWHMMOSA-N 1 0 422.396 5.725 50 0 HKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000005602981 560628801 /nfs/dbraw/zinc/62/88/01/560628801.db2.gz HZGYJRYBXODOSF-YVHKJVDXSA-N 1 0 422.396 5.438 50 0 HKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000005602983 560628836 /nfs/dbraw/zinc/62/88/36/560628836.db2.gz HZGYJRYBXODOSF-JKSBSHDWSA-N 1 0 422.396 5.438 50 0 HKAARO COc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000005607298 560629992 /nfs/dbraw/zinc/62/99/92/560629992.db2.gz CFJJGWMNGLHVFE-UHFFFAOYSA-N 1 0 414.549 5.402 50 0 HKAARO CC[C@@H](C)[NH2+]C[C@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000005610862 560630182 /nfs/dbraw/zinc/63/01/82/560630182.db2.gz UVKPBZRFTXPAQX-QPPBQGQZSA-N 1 0 412.577 6.033 50 0 HKAARO CC[C@@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000005610865 560630172 /nfs/dbraw/zinc/63/01/72/560630172.db2.gz UVKPBZRFTXPAQX-ZJSXRUAMSA-N 1 0 412.577 6.033 50 0 HKAARO CC[C@H](C)[NH2+]C[C@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000005610916 560630206 /nfs/dbraw/zinc/63/02/06/560630206.db2.gz UVKPBZRFTXPAQX-URXFXBBRSA-N 1 0 412.577 6.033 50 0 HKAARO CC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000005610922 560630157 /nfs/dbraw/zinc/63/01/57/560630157.db2.gz UVKPBZRFTXPAQX-XUZZJYLKSA-N 1 0 412.577 6.033 50 0 HKAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000005613783 557665373 /nfs/dbraw/zinc/66/53/73/557665373.db2.gz WZSNTHQEAXWJEY-UHFFFAOYSA-N 1 0 412.577 6.010 50 0 HKAARO Fc1cccc(C[NH+]2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)c1 ZINC000005626230 560632460 /nfs/dbraw/zinc/63/24/60/560632460.db2.gz SQNQGGBTQIUKMR-UHFFFAOYSA-N 1 0 403.423 5.614 50 0 HKAARO Brc1ccc2c(c1)[C@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000005648314 560636411 /nfs/dbraw/zinc/63/64/11/560636411.db2.gz LVUDIWHCHFHYEK-TZIWHRDSSA-N 1 0 416.384 5.255 50 0 HKAARO Brc1ccc2c(c1)[C@H](O[C@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000005648317 560636333 /nfs/dbraw/zinc/63/63/33/560636333.db2.gz LVUDIWHCHFHYEK-PZJWPPBQSA-N 1 0 416.384 5.255 50 0 HKAARO Brc1ccc2c(c1)[C@@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000005648318 560636405 /nfs/dbraw/zinc/63/64/05/560636405.db2.gz LVUDIWHCHFHYEK-CTNGQTDRSA-N 1 0 416.384 5.255 50 0 HKAARO Brc1ccc2c(c1)[C@@H](O[C@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000005648321 560636396 /nfs/dbraw/zinc/63/63/96/560636396.db2.gz LVUDIWHCHFHYEK-FPOVZHCZSA-N 1 0 416.384 5.255 50 0 HKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(CC)cc1 ZINC000005657613 560636957 /nfs/dbraw/zinc/63/69/57/560636957.db2.gz MTCRYMSDSDRMDO-UHFFFAOYSA-N 1 0 417.549 5.621 50 0 HKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005662443 557667191 /nfs/dbraw/zinc/66/71/91/557667191.db2.gz MMGWTERXRCJXRR-FJDLLSKQSA-N 1 0 410.001 6.614 50 0 HKAARO O=C(NCCCOc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000005671346 560773148 /nfs/dbraw/zinc/77/31/48/560773148.db2.gz AIPWUSSWYNAAMV-UHFFFAOYSA-N 1 0 421.368 5.178 50 0 HKAARO CC(=O)Nc1ccc(OC[C@@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000005674717 557668144 /nfs/dbraw/zinc/66/81/44/557668144.db2.gz QBGRKBJDJZPMLV-HXUWFJFHSA-N 1 0 402.538 5.224 50 0 HKAARO C[NH+](C)C1(CNC(=O)c2cc3nc(Nc4ccccc4)sc3s2)CCCCC1 ZINC000005688532 560784177 /nfs/dbraw/zinc/78/41/77/560784177.db2.gz XOLNPUGLAAYPKB-UHFFFAOYSA-N 1 0 414.600 5.096 50 0 HKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005694719 560786597 /nfs/dbraw/zinc/78/65/97/560786597.db2.gz LDFAZJJZAMMKNC-UHFFFAOYSA-N 1 0 417.578 5.430 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000005721684 560853691 /nfs/dbraw/zinc/85/36/91/560853691.db2.gz IELIHWFLESPBKD-OAQYLSRUSA-N 1 0 410.608 6.254 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000005721690 560853667 /nfs/dbraw/zinc/85/36/67/560853667.db2.gz ZCVAGUXAOUETBP-QFIPXVFZSA-N 1 0 405.567 5.588 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000005721692 560853719 /nfs/dbraw/zinc/85/37/19/560853719.db2.gz BMEILHJASUCBME-QFIPXVFZSA-N 1 0 405.567 5.588 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000005721695 560853699 /nfs/dbraw/zinc/85/36/99/560853699.db2.gz IELIHWFLESPBKD-NRFANRHFSA-N 1 0 410.608 6.254 50 0 HKAARO CC[NH+](CC)CCCNc1ccc2c3c1cccc3C(=O)N(c1ccc(C)cc1)C2=O ZINC000005736140 560861218 /nfs/dbraw/zinc/86/12/18/560861218.db2.gz HQVQRVKZMCTGLI-UHFFFAOYSA-N 1 0 415.537 5.093 50 0 HKAARO Clc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1Cl ZINC000005757313 568442850 /nfs/dbraw/zinc/44/28/50/568442850.db2.gz DVTIOMHLBAHIJF-UHFFFAOYSA-N 1 0 413.352 5.749 50 0 HKAARO Clc1cccc(C[NH+]2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c1 ZINC000005762758 568454796 /nfs/dbraw/zinc/45/47/96/568454796.db2.gz GCYCQBIKZVSZSX-UHFFFAOYSA-N 1 0 401.941 6.263 50 0 HKAARO CCCCCCOc1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OCC)cc23)cc1 ZINC000005808027 568455425 /nfs/dbraw/zinc/45/54/25/568455425.db2.gz KDACOUVEWTZNNO-UHFFFAOYSA-N 1 0 406.526 6.423 50 0 HKAARO CCCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OCC)cc23)cc1 ZINC000005808060 568455390 /nfs/dbraw/zinc/45/53/90/568455390.db2.gz KTSXBXURIAMHDQ-UHFFFAOYSA-N 1 0 406.482 5.420 50 0 HKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000005808843 568455385 /nfs/dbraw/zinc/45/53/85/568455385.db2.gz TWYZERYZOWKTKD-UHFFFAOYSA-N 1 0 412.489 6.043 50 0 HKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1 ZINC000005809196 557675682 /nfs/dbraw/zinc/67/56/82/557675682.db2.gz OEDVOBHPYXBCGS-UHFFFAOYSA-N 1 0 418.924 6.918 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000005811641 568756631 /nfs/dbraw/zinc/75/66/31/568756631.db2.gz ZGVVIDFNOLEKRA-NRFANRHFSA-N 1 0 409.555 5.427 50 0 HKAARO CCCCN(CCCC)[PH+](N(CCCC)CCCC)N(CCCC)CCCC ZINC000005821193 568823243 /nfs/dbraw/zinc/82/32/43/568823243.db2.gz URQFNWOYQMPPKL-UHFFFAOYSA-N 1 0 415.691 7.920 50 0 HKAARO CC(C)(C)c1ccc(OCC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000005840732 557677171 /nfs/dbraw/zinc/67/71/71/557677171.db2.gz ODRWLJOIGLRFIR-NRFANRHFSA-N 1 0 416.565 5.122 50 0 HKAARO CC(C)(C)c1ccc(OCC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000005840752 557677139 /nfs/dbraw/zinc/67/71/39/557677139.db2.gz ODRWLJOIGLRFIR-OAQYLSRUSA-N 1 0 416.565 5.122 50 0 HKAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005867253 568826977 /nfs/dbraw/zinc/82/69/77/568826977.db2.gz CFUDVZQSUZGFRZ-APNVUFTPSA-N 1 0 411.611 5.267 50 0 HKAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005867259 568827027 /nfs/dbraw/zinc/82/70/27/568827027.db2.gz CFUDVZQSUZGFRZ-UQQXROCHSA-N 1 0 411.611 5.267 50 0 HKAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(C2SCCS2)cc1 ZINC000005938562 568830668 /nfs/dbraw/zinc/83/06/68/568830668.db2.gz SYSCXZYPFAJAHW-UHFFFAOYSA-N 1 0 404.645 5.084 50 0 HKAARO c1csc(-c2nnc(COc3ccc4ccccc4c3C[NH+]3CCCCC3)o2)c1 ZINC000005938655 568830662 /nfs/dbraw/zinc/83/06/62/568830662.db2.gz NXSCTBLEOWEYMM-UHFFFAOYSA-N 1 0 405.523 5.516 50 0 HKAARO CCCC[NH+](CCCC)[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000005938727 568830670 /nfs/dbraw/zinc/83/06/70/568830670.db2.gz MDXICUWTOGCNAC-QFIPXVFZSA-N 1 0 402.966 5.931 50 0 HKAARO CCCC[NH+](CCCC)[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000005938728 568830678 /nfs/dbraw/zinc/83/06/78/568830678.db2.gz MDXICUWTOGCNAC-JOCHJYFZSA-N 1 0 402.966 5.931 50 0 HKAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=CC1=C(SC(C)C)SC(C)C ZINC000005952369 568983650 /nfs/dbraw/zinc/98/36/50/568983650.db2.gz ZPWASDDCCCLSKL-UHFFFAOYSA-N 1 0 400.657 6.832 50 0 HKAARO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000005959430 568832541 /nfs/dbraw/zinc/83/25/41/568832541.db2.gz RUTINENOWYAQPV-QFIPXVFZSA-N 1 0 424.566 5.794 50 0 HKAARO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000005959452 568832482 /nfs/dbraw/zinc/83/24/82/568832482.db2.gz RUTINENOWYAQPV-JOCHJYFZSA-N 1 0 424.566 5.794 50 0 HKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC000005973431 557683182 /nfs/dbraw/zinc/68/31/82/557683182.db2.gz DALUOHFKVYCDCW-JOCHJYFZSA-N 1 0 406.397 6.500 50 0 HKAARO C[NH+](C)CCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000005999420 568834750 /nfs/dbraw/zinc/83/47/50/568834750.db2.gz KRTZAMUKGAJNOB-UHFFFAOYSA-N 1 0 406.580 5.049 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000006008422 568835046 /nfs/dbraw/zinc/83/50/46/568835046.db2.gz RHZSMEDCHRBGJR-FQEVSTJZSA-N 1 0 414.958 6.049 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1C ZINC000006009402 568835090 /nfs/dbraw/zinc/83/50/90/568835090.db2.gz UGGNCLXQISJLDT-QFIPXVFZSA-N 1 0 408.567 6.094 50 0 HKAARO O=C(C[NH+]1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006049380 568983818 /nfs/dbraw/zinc/98/38/18/568983818.db2.gz HTDRGYKSBBXMPE-SANMLTNESA-N 1 0 411.549 5.394 50 0 HKAARO O=C(C[NH+]1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006049381 568983852 /nfs/dbraw/zinc/98/38/52/568983852.db2.gz HTDRGYKSBBXMPE-AREMUKBSSA-N 1 0 411.549 5.394 50 0 HKAARO COc1ccccc1C[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000006050081 568984620 /nfs/dbraw/zinc/98/46/20/568984620.db2.gz LOJGETLPSBIKHH-KCHLEUMXSA-N 1 0 405.626 6.619 50 0 HKAARO COc1ccccc1C[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000006050082 568984589 /nfs/dbraw/zinc/98/45/89/568984589.db2.gz LOJGETLPSBIKHH-OZNIXHKMSA-N 1 0 405.626 6.619 50 0 HKAARO COc1ccccc1C[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000006050083 568984521 /nfs/dbraw/zinc/98/45/21/568984521.db2.gz LOJGETLPSBIKHH-PKTNWEFCSA-N 1 0 405.626 6.619 50 0 HKAARO CCOc1ccc2oc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)c(C)c2c1 ZINC000006052941 568988466 /nfs/dbraw/zinc/98/84/66/568988466.db2.gz GJFPYEATLSMNMP-UHFFFAOYSA-N 1 0 420.553 6.157 50 0 HKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1C ZINC000006054041 568988646 /nfs/dbraw/zinc/98/86/46/568988646.db2.gz UGGNCLXQISJLDT-JOCHJYFZSA-N 1 0 408.567 6.094 50 0 HKAARO CC[NH+](CC)CCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000006085883 568998063 /nfs/dbraw/zinc/99/80/63/568998063.db2.gz HEMBNHMUTIBGSL-UHFFFAOYSA-N 1 0 417.582 5.564 50 0 HKAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006123976 132309246 /nfs/dbraw/zinc/30/92/46/132309246.db2.gz NADRGHYWFWVPPZ-UHFFFAOYSA-N 1 0 421.928 5.136 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006175583 569017161 /nfs/dbraw/zinc/01/71/61/569017161.db2.gz BNJCFVMKBBNGGG-IBVKSMDESA-N 1 0 411.549 5.392 50 0 HKAARO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000006189871 557693367 /nfs/dbraw/zinc/69/33/67/557693367.db2.gz ONIGDYJSXUWMRX-UHFFFAOYSA-N 1 0 412.577 6.010 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006199805 569031546 /nfs/dbraw/zinc/03/15/46/569031546.db2.gz BNJCFVMKBBNGGG-FNZWTVRRSA-N 1 0 411.549 5.392 50 0 HKAARO COc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000006228412 569033570 /nfs/dbraw/zinc/03/35/70/569033570.db2.gz LSZXSJRLEMPHQV-FGZHOGPDSA-N 1 0 411.973 5.924 50 0 HKAARO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1 ZINC000006259290 557696480 /nfs/dbraw/zinc/69/64/80/557696480.db2.gz UUZHDALQZGIORD-UHFFFAOYSA-N 1 0 411.973 5.842 50 0 HKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1 ZINC000006266035 569036083 /nfs/dbraw/zinc/03/60/83/569036083.db2.gz AJYYNRJECSPCJK-UHFFFAOYSA-N 1 0 404.897 6.528 50 0 HKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006267293 557697028 /nfs/dbraw/zinc/69/70/28/557697028.db2.gz MMGWTERXRCJXRR-VIAIDJOKSA-N 1 0 410.001 6.614 50 0 HKAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CC1CCCCC1 ZINC000006350321 569044702 /nfs/dbraw/zinc/04/47/02/569044702.db2.gz RLGKVWFPXAMYGE-UHFFFAOYSA-N 1 0 414.571 5.009 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000006418256 569046989 /nfs/dbraw/zinc/04/69/89/569046989.db2.gz DIQLDYWXNCGCRD-XMMPIXPASA-N 1 0 418.606 6.439 50 0 HKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000006418258 569046983 /nfs/dbraw/zinc/04/69/83/569046983.db2.gz DIQLDYWXNCGCRD-DEOSSOPVSA-N 1 0 418.606 6.439 50 0 HKAARO FC(F)(F)c1cc(CO[C@@H]2CCC[NH2+][C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000006475812 557704435 /nfs/dbraw/zinc/70/44/35/557704435.db2.gz FCDRFVCGMLUYPG-QZTJIDSGSA-N 1 0 403.366 5.734 50 0 HKAARO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C ZINC000006495261 291290013 /nfs/dbraw/zinc/29/00/13/291290013.db2.gz QASFUMOKHFSJGL-CAAVMPQMSA-N 1 0 411.630 5.002 50 0 biogenic,in-vitro HKAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+]C1CCCCCCC1 ZINC000006497646 569061388 /nfs/dbraw/zinc/06/13/88/569061388.db2.gz YAWUYKRAXUQQRO-UHFFFAOYSA-N 1 0 414.571 5.233 50 0 HKAARO CCC[NH2+][C@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000006509332 569062132 /nfs/dbraw/zinc/06/21/32/569062132.db2.gz YJCWXWZNOKKDKR-NRFANRHFSA-N 1 0 422.550 5.271 50 0 HKAARO CCC[NH2+][C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000006509333 569062129 /nfs/dbraw/zinc/06/21/29/569062129.db2.gz YJCWXWZNOKKDKR-OAQYLSRUSA-N 1 0 422.550 5.271 50 0 HKAARO CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=[NH2+])oc2c1 ZINC000006517594 569062829 /nfs/dbraw/zinc/06/28/29/569062829.db2.gz XOMVUPVRFGLXSM-UHFFFAOYSA-N 1 0 404.297 5.318 50 0 HKAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=[NH2+])oc2c1 ZINC000006517602 569062771 /nfs/dbraw/zinc/06/27/71/569062771.db2.gz NKZUIGZDLFFOIA-UHFFFAOYSA-N 1 0 404.297 5.318 50 0 HKAARO CSc1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530329 569063450 /nfs/dbraw/zinc/06/34/50/569063450.db2.gz NXDKGKAEGNEFPJ-RSXGOPAZSA-N 1 0 421.606 5.316 50 0 HKAARO CSc1ccc(C[N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530331 569063414 /nfs/dbraw/zinc/06/34/14/569063414.db2.gz NXDKGKAEGNEFPJ-AZGAKELHSA-N 1 0 421.606 5.316 50 0 HKAARO CSc1ccc(C[N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530332 569063419 /nfs/dbraw/zinc/06/34/19/569063419.db2.gz NXDKGKAEGNEFPJ-AHWVRZQESA-N 1 0 421.606 5.316 50 0 HKAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(Cl)c(Cl)c3)n2C)cc1OC ZINC000006564725 569066234 /nfs/dbraw/zinc/06/62/34/569066234.db2.gz QRKRPFFHLRFOHU-UHFFFAOYSA-N 1 0 406.313 5.413 50 0 HKAARO CCC[NH2+][C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 ZINC000006586474 569067773 /nfs/dbraw/zinc/06/77/73/569067773.db2.gz RLHVILUKSXDMCH-NRFANRHFSA-N 1 0 422.550 5.271 50 0 HKAARO CCC[NH2+][C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 ZINC000006586475 569067771 /nfs/dbraw/zinc/06/77/71/569067771.db2.gz RLHVILUKSXDMCH-OAQYLSRUSA-N 1 0 422.550 5.271 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 ZINC000006587563 569067816 /nfs/dbraw/zinc/06/78/16/569067816.db2.gz CNOJXEKRQZAHLG-FQEVSTJZSA-N 1 0 420.534 5.106 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 ZINC000006587566 569067833 /nfs/dbraw/zinc/06/78/33/569067833.db2.gz CNOJXEKRQZAHLG-HXUWFJFHSA-N 1 0 420.534 5.106 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592865 569068771 /nfs/dbraw/zinc/06/87/71/569068771.db2.gz BNJCFVMKBBNGGG-FQRUVTKNSA-N 1 0 411.549 5.392 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592874 569068756 /nfs/dbraw/zinc/06/87/56/569068756.db2.gz BNJCFVMKBBNGGG-RXFWQSSRSA-N 1 0 411.549 5.392 50 0 HKAARO CC1CC[NH+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)CC1 ZINC000006598627 569069317 /nfs/dbraw/zinc/06/93/17/569069317.db2.gz PCXDEPCSYMZRTD-SANMLTNESA-N 1 0 411.549 5.249 50 0 HKAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000006600327 569069388 /nfs/dbraw/zinc/06/93/88/569069388.db2.gz UFRVDIZWUNJLSU-UHFFFAOYSA-N 1 0 404.554 5.229 50 0 HKAARO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000006602438 569069905 /nfs/dbraw/zinc/06/99/05/569069905.db2.gz VDRKOTYPFIRAOX-IBGZPJMESA-N 1 0 401.941 6.352 50 0 HKAARO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000006602439 569069889 /nfs/dbraw/zinc/06/98/89/569069889.db2.gz VDRKOTYPFIRAOX-LJQANCHMSA-N 1 0 401.941 6.352 50 0 HKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616564 569074711 /nfs/dbraw/zinc/07/47/11/569074711.db2.gz SCPJABMZZLHENK-FQEVSTJZSA-N 1 0 411.502 5.343 50 0 HKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616579 569074714 /nfs/dbraw/zinc/07/47/14/569074714.db2.gz SCPJABMZZLHENK-HXUWFJFHSA-N 1 0 411.502 5.343 50 0 HKAARO CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000006639749 569078001 /nfs/dbraw/zinc/07/80/01/569078001.db2.gz UPSVXKSMDHJMEU-UHFFFAOYSA-N 1 0 413.602 6.027 50 0 HKAARO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000006642149 569078272 /nfs/dbraw/zinc/07/82/72/569078272.db2.gz KHTQBWLJEZPZAP-OMZFVACUSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c1 ZINC000006642256 569078315 /nfs/dbraw/zinc/07/83/15/569078315.db2.gz NGTYIDRNJTUKEY-OMZFVACUSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C ZINC000006650905 569082203 /nfs/dbraw/zinc/08/22/03/569082203.db2.gz ZKJWZZLVBRITKR-RUZDIDTESA-N 1 0 419.565 5.065 50 0 HKAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@H](O)c1cc(C)c(C)cc1C ZINC000006650908 569082194 /nfs/dbraw/zinc/08/21/94/569082194.db2.gz ZKJWZZLVBRITKR-VWLOTQADSA-N 1 0 419.565 5.065 50 0 HKAARO CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3ccc(Cl)cc32)CC1 ZINC000006654833 569082865 /nfs/dbraw/zinc/08/28/65/569082865.db2.gz PADZUTPWKUXSFU-UHFFFAOYSA-N 1 0 413.974 5.139 50 0 HKAARO Clc1ccc(Oc2cccc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c2)cc1 ZINC000006667461 557712986 /nfs/dbraw/zinc/71/29/86/557712986.db2.gz HAISWYXVCMTGIE-UHFFFAOYSA-N 1 0 401.937 6.693 50 0 HKAARO C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1ccccc1 ZINC000006668334 569086103 /nfs/dbraw/zinc/08/61/03/569086103.db2.gz QKHBQYXALAIYEZ-UHFFFAOYSA-N 1 0 406.529 5.475 50 0 HKAARO Clc1ccc2ccccc2c1OCCCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006673229 569087194 /nfs/dbraw/zinc/08/71/94/569087194.db2.gz CRYJQBVZDPENQK-XMMPIXPASA-N 1 0 408.973 6.665 50 0 HKAARO Clc1ccc2ccccc2c1OCCCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006673232 569087189 /nfs/dbraw/zinc/08/71/89/569087189.db2.gz CRYJQBVZDPENQK-DEOSSOPVSA-N 1 0 408.973 6.665 50 0 biogenic HKAARO Clc1ccc(OCCOCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719410 569097756 /nfs/dbraw/zinc/09/77/56/569097756.db2.gz XJRGGTBCZSMPKH-HSZRJFAPSA-N 1 0 410.945 5.511 50 0 HKAARO Clc1ccc(OCCOCC[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719411 569097678 /nfs/dbraw/zinc/09/76/78/569097678.db2.gz XJRGGTBCZSMPKH-QHCPKHFHSA-N 1 0 410.945 5.511 50 0 biogenic HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000006719495 569097965 /nfs/dbraw/zinc/09/79/65/569097965.db2.gz ZITQIHZELMQBKV-RUZDIDTESA-N 1 0 411.948 6.578 50 0 HKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000006719496 569097962 /nfs/dbraw/zinc/09/79/62/569097962.db2.gz ZITQIHZELMQBKV-VWLOTQADSA-N 1 0 411.948 6.578 50 0 HKAARO CC[NH+](CC)CCCNc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000006720590 569098282 /nfs/dbraw/zinc/09/82/82/569098282.db2.gz QOLFGBKVZOBXNB-UHFFFAOYSA-N 1 0 408.615 5.305 50 0 HKAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 ZINC000006725167 132313895 /nfs/dbraw/zinc/31/38/95/132313895.db2.gz HRNVJFNSLFDEMX-UHFFFAOYSA-N 1 0 422.617 5.086 50 0 HKAARO CCCCCOc1ccc([C@@](O)(CCC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727332 569101798 /nfs/dbraw/zinc/10/17/98/569101798.db2.gz YQWUVRJXOUPOPO-NSOVKSMOSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCOc1ccc([C@](O)(CCC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727334 569101881 /nfs/dbraw/zinc/10/18/81/569101881.db2.gz YQWUVRJXOUPOPO-WUFINQPMSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCOc1ccc([C@@](O)(CCC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727337 569101801 /nfs/dbraw/zinc/10/18/01/569101801.db2.gz YQWUVRJXOUPOPO-IZLXSDGUSA-N 1 0 423.641 6.513 50 0 HKAARO CCCCCOc1ccc([C@](O)(CCC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727339 569101877 /nfs/dbraw/zinc/10/18/77/569101877.db2.gz YQWUVRJXOUPOPO-VSGBNLITSA-N 1 0 423.641 6.513 50 0 HKAARO COc1ccc(-c2noc(C[NH2+]C3CCCCCCCCCCC3)n2)cc1OC ZINC000006737029 569104851 /nfs/dbraw/zinc/10/48/51/569104851.db2.gz XNOXMONNAIOGMM-UHFFFAOYSA-N 1 0 401.551 5.517 50 0 HKAARO CCc1ccccc1NC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC[NH2+]CC1 ZINC000006737441 569105034 /nfs/dbraw/zinc/10/50/34/569105034.db2.gz JISRLRMOZVOXFE-UHFFFAOYSA-N 1 0 422.960 5.116 50 0 HKAARO CCc1ccccc1NC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1C1CC[NH2+]CC1 ZINC000006737443 569105056 /nfs/dbraw/zinc/10/50/56/569105056.db2.gz PGLXSPFQCYKDMU-UHFFFAOYSA-N 1 0 416.569 5.277 50 0 HKAARO COc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743823 569107221 /nfs/dbraw/zinc/10/72/21/569107221.db2.gz DKUMZXJYEPSKRY-SVBPBHIXSA-N 1 0 401.550 5.005 50 0 HKAARO COc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743825 569107199 /nfs/dbraw/zinc/10/71/99/569107199.db2.gz DKUMZXJYEPSKRY-RRPNLBNLSA-N 1 0 401.550 5.005 50 0 HKAARO COc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743826 569107256 /nfs/dbraw/zinc/10/72/56/569107256.db2.gz DKUMZXJYEPSKRY-SXOMAYOGSA-N 1 0 401.550 5.005 50 0 HKAARO COc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743828 569107179 /nfs/dbraw/zinc/10/71/79/569107179.db2.gz DKUMZXJYEPSKRY-KAYWLYCHSA-N 1 0 401.550 5.005 50 0 HKAARO COc1ccc([C@@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743836 569107181 /nfs/dbraw/zinc/10/71/81/569107181.db2.gz HEDHOIQMOJFSNF-NSOVKSMOSA-N 1 0 415.577 5.395 50 0 HKAARO COc1ccc([C@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743838 569107231 /nfs/dbraw/zinc/10/72/31/569107231.db2.gz HEDHOIQMOJFSNF-WUFINQPMSA-N 1 0 415.577 5.395 50 0 HKAARO COc1ccc([C@@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743840 569107155 /nfs/dbraw/zinc/10/71/55/569107155.db2.gz HEDHOIQMOJFSNF-IZLXSDGUSA-N 1 0 415.577 5.395 50 0 HKAARO COc1ccc([C@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743841 568459113 /nfs/dbraw/zinc/45/91/13/568459113.db2.gz HEDHOIQMOJFSNF-VSGBNLITSA-N 1 0 415.577 5.395 50 0 HKAARO COc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744337 569107418 /nfs/dbraw/zinc/10/74/18/569107418.db2.gz RLMVREFAEDJZSH-SVBPBHIXSA-N 1 0 401.550 5.201 50 0 HKAARO COc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744341 569107450 /nfs/dbraw/zinc/10/74/50/569107450.db2.gz RLMVREFAEDJZSH-RRPNLBNLSA-N 1 0 401.550 5.201 50 0 HKAARO COc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744347 569107430 /nfs/dbraw/zinc/10/74/30/569107430.db2.gz RLMVREFAEDJZSH-SXOMAYOGSA-N 1 0 401.550 5.201 50 0 HKAARO COc1ccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744353 569107478 /nfs/dbraw/zinc/10/74/78/569107478.db2.gz RLMVREFAEDJZSH-KAYWLYCHSA-N 1 0 401.550 5.201 50 0 HKAARO COc1ccc([C@](O)(c2cccc(C)c2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744361 569107443 /nfs/dbraw/zinc/10/74/43/569107443.db2.gz MMTLGSHAAYMWPI-NSOVKSMOSA-N 1 0 415.577 5.509 50 0 HKAARO COc1ccc([C@@](O)(c2cccc(C)c2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744365 569107402 /nfs/dbraw/zinc/10/74/02/569107402.db2.gz MMTLGSHAAYMWPI-WUFINQPMSA-N 1 0 415.577 5.509 50 0 HKAARO COc1ccc([C@](O)(c2cccc(C)c2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744370 569107474 /nfs/dbraw/zinc/10/74/74/569107474.db2.gz MMTLGSHAAYMWPI-IZLXSDGUSA-N 1 0 415.577 5.509 50 0 HKAARO COc1ccc([C@@](O)(c2cccc(C)c2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744374 569107504 /nfs/dbraw/zinc/10/75/04/569107504.db2.gz MMTLGSHAAYMWPI-VSGBNLITSA-N 1 0 415.577 5.509 50 0 HKAARO COc1ccc([C@](O)([C@@H](C[NH+]2CCCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006744401 569107436 /nfs/dbraw/zinc/10/74/36/569107436.db2.gz JUZNGHDYOWVJPT-SVBPBHIXSA-N 1 0 407.598 5.733 50 0 HKAARO COc1ccc([C@@](O)([C@@H](C[NH+]2CCCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006744405 569107452 /nfs/dbraw/zinc/10/74/52/569107452.db2.gz JUZNGHDYOWVJPT-RRPNLBNLSA-N 1 0 407.598 5.733 50 0 HKAARO COc1ccc([C@](O)([C@H](C[NH+]2CCCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006744406 569107472 /nfs/dbraw/zinc/10/74/72/569107472.db2.gz JUZNGHDYOWVJPT-SXOMAYOGSA-N 1 0 407.598 5.733 50 0 HKAARO COc1ccc([C@@](O)([C@H](C[NH+]2CCCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006744407 569107405 /nfs/dbraw/zinc/10/74/05/569107405.db2.gz JUZNGHDYOWVJPT-KAYWLYCHSA-N 1 0 407.598 5.733 50 0 HKAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000006750543 569109344 /nfs/dbraw/zinc/10/93/44/569109344.db2.gz FQMQZDKXLGOEAM-UHFFFAOYSA-N 1 0 410.320 5.261 50 0 HKAARO COc1ccc(CC[NH2+]CC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC ZINC000006759177 569113211 /nfs/dbraw/zinc/11/32/11/569113211.db2.gz YNNBSTZWUGSALO-AREMUKBSSA-N 1 0 411.586 5.061 50 0 HKAARO COc1ccc(CC[NH2+]CC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC ZINC000006759178 569113160 /nfs/dbraw/zinc/11/31/60/569113160.db2.gz YNNBSTZWUGSALO-SANMLTNESA-N 1 0 411.586 5.061 50 0 HKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000006767521 569115137 /nfs/dbraw/zinc/11/51/37/569115137.db2.gz UERPRDFAJRYSTQ-UHFFFAOYSA-N 1 0 403.929 5.130 50 0 HKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C1CCCCCC1 ZINC000006769575 569115885 /nfs/dbraw/zinc/11/58/85/569115885.db2.gz JPAXMMJFYMLLBQ-PKTZIBPZSA-N 1 0 412.961 5.124 50 0 HKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C1CCCCCC1 ZINC000006769578 569115882 /nfs/dbraw/zinc/11/58/82/569115882.db2.gz JPAXMMJFYMLLBQ-GOTSBHOMSA-N 1 0 412.961 5.124 50 0 HKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C1CCCCCC1 ZINC000006769580 569115867 /nfs/dbraw/zinc/11/58/67/569115867.db2.gz JPAXMMJFYMLLBQ-DHIUTWEWSA-N 1 0 412.961 5.124 50 0 HKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C1CCCCCC1 ZINC000006769583 569115900 /nfs/dbraw/zinc/11/59/00/569115900.db2.gz JPAXMMJFYMLLBQ-XZOQPEGZSA-N 1 0 412.961 5.124 50 0 HKAARO CCCC[C@H](CC)COC[C@H](C)CO[C@H](COC[C@@H](CC)CCCC)C[NH+](C)C ZINC000006778719 557720556 /nfs/dbraw/zinc/72/05/56/557720556.db2.gz OXQSXJOQFXUCQG-QORCZRPOSA-N 1 0 415.703 6.035 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780511 569119720 /nfs/dbraw/zinc/11/97/20/569119720.db2.gz WGHBSYRKPQYQJH-LJQANCHMSA-N 1 0 424.614 5.088 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780514 569119715 /nfs/dbraw/zinc/11/97/15/569119715.db2.gz WGHBSYRKPQYQJH-IBGZPJMESA-N 1 0 424.614 5.088 50 0 HKAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)c2-n1cccc1 ZINC000006780537 569119727 /nfs/dbraw/zinc/11/97/27/569119727.db2.gz GERGLDNEKIQOIS-KDURUIRLSA-N 1 0 424.614 5.087 50 0 HKAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C)c2-n1cccc1 ZINC000006780540 569119699 /nfs/dbraw/zinc/11/96/99/569119699.db2.gz GERGLDNEKIQOIS-OALUTQOASA-N 1 0 424.614 5.087 50 0 HKAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)c2-n1cccc1 ZINC000006780542 569119724 /nfs/dbraw/zinc/11/97/24/569119724.db2.gz GERGLDNEKIQOIS-RTBURBONSA-N 1 0 424.614 5.087 50 0 HKAARO Fc1ccc(-c2csc3ncnc(N[C@H]4CC[N@H+](Cc5ccccc5)C4)c23)cc1 ZINC000006785867 569121821 /nfs/dbraw/zinc/12/18/21/569121821.db2.gz GLGDVHMEQLEMMV-IBGZPJMESA-N 1 0 404.514 5.184 50 0 HKAARO Fc1ccc(-c2csc3ncnc(N[C@@H]4CC[N@H+](Cc5ccccc5)C4)c23)cc1 ZINC000006785869 569121770 /nfs/dbraw/zinc/12/17/70/569121770.db2.gz GLGDVHMEQLEMMV-LJQANCHMSA-N 1 0 404.514 5.184 50 0 HKAARO CC[NH+](CC)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000006798793 569126026 /nfs/dbraw/zinc/12/60/26/569126026.db2.gz NXKCCGGYASAPPB-UHFFFAOYSA-N 1 0 401.963 5.044 50 0 HKAARO CC[NH+](CC)CCNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000006798817 569126021 /nfs/dbraw/zinc/12/60/21/569126021.db2.gz KBSUNZSHGLXRIW-UHFFFAOYSA-N 1 0 415.990 5.353 50 0 HKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCC[NH+]1CCCC1)c2Sc1ccc(Cl)cc1 ZINC000006798835 569125983 /nfs/dbraw/zinc/12/59/83/569125983.db2.gz OFZWLIDLKRGUSD-UHFFFAOYSA-N 1 0 413.974 5.107 50 0 HKAARO CCN1CCSc2ccc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)cc21 ZINC000006802702 132317511 /nfs/dbraw/zinc/31/75/11/132317511.db2.gz GEGYTPJKXVNJOS-UHFFFAOYSA-N 1 0 409.599 5.103 50 0 HKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)s1 ZINC000006808204 569132431 /nfs/dbraw/zinc/13/24/31/569132431.db2.gz HQYUYAGCKRKTRX-UHFFFAOYSA-N 1 0 404.579 5.100 50 0 HKAARO CC1CC[NH+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000006808512 569132630 /nfs/dbraw/zinc/13/26/30/569132630.db2.gz MPSSQYCWMVJXDC-UHFFFAOYSA-N 1 0 421.031 5.526 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808546 569132178 /nfs/dbraw/zinc/13/21/78/569132178.db2.gz VLKXZOWBFZWQCO-CYBMUJFWSA-N 1 0 407.004 5.278 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808547 569132229 /nfs/dbraw/zinc/13/22/29/569132229.db2.gz VLKXZOWBFZWQCO-ZDUSSCGKSA-N 1 0 407.004 5.278 50 0 HKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808548 569132358 /nfs/dbraw/zinc/13/23/58/569132358.db2.gz QBXQOQUKFWOCMH-CQSZACIVSA-N 1 0 421.031 5.526 50 0 HKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808549 569132323 /nfs/dbraw/zinc/13/23/23/569132323.db2.gz QBXQOQUKFWOCMH-AWEZNQCLSA-N 1 0 421.031 5.526 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808553 568459871 /nfs/dbraw/zinc/45/98/71/568459871.db2.gz JIGACYNOCMAFDF-CQSZACIVSA-N 1 0 421.031 5.669 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808554 569131587 /nfs/dbraw/zinc/13/15/87/569131587.db2.gz JIGACYNOCMAFDF-AWEZNQCLSA-N 1 0 421.031 5.669 50 0 HKAARO CCCC[N@H+](CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006809355 569133455 /nfs/dbraw/zinc/13/34/55/569133455.db2.gz AANWOQGRJWUOAJ-UHFFFAOYSA-N 1 0 422.960 5.224 50 0 HKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811630 569136063 /nfs/dbraw/zinc/13/60/63/569136063.db2.gz GPGJQHLEIOXHGY-RRPNLBNLSA-N 1 0 409.614 6.123 50 0 HKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811631 569136101 /nfs/dbraw/zinc/13/61/01/569136101.db2.gz GPGJQHLEIOXHGY-SVBPBHIXSA-N 1 0 409.614 6.123 50 0 HKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811632 569136110 /nfs/dbraw/zinc/13/61/10/569136110.db2.gz GPGJQHLEIOXHGY-KAYWLYCHSA-N 1 0 409.614 6.123 50 0 HKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811633 569136083 /nfs/dbraw/zinc/13/60/83/569136083.db2.gz GPGJQHLEIOXHGY-SXOMAYOGSA-N 1 0 409.614 6.123 50 0 HKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000006811634 569136085 /nfs/dbraw/zinc/13/60/85/569136085.db2.gz MOJCLCZPZSWCOK-NSOVKSMOSA-N 1 0 423.641 6.369 50 0 HKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000006811635 569136086 /nfs/dbraw/zinc/13/60/86/569136086.db2.gz MOJCLCZPZSWCOK-WUFINQPMSA-N 1 0 423.641 6.369 50 0 HKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000006811636 569136060 /nfs/dbraw/zinc/13/60/60/569136060.db2.gz MOJCLCZPZSWCOK-IZLXSDGUSA-N 1 0 423.641 6.369 50 0 HKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000006811637 569136073 /nfs/dbraw/zinc/13/60/73/569136073.db2.gz MOJCLCZPZSWCOK-VSGBNLITSA-N 1 0 423.641 6.369 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811666 569136077 /nfs/dbraw/zinc/13/60/77/569136077.db2.gz BUTBQVZUNMVFMS-RRPNLBNLSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811667 569136091 /nfs/dbraw/zinc/13/60/91/569136091.db2.gz BUTBQVZUNMVFMS-SVBPBHIXSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811668 569136087 /nfs/dbraw/zinc/13/60/87/569136087.db2.gz BUTBQVZUNMVFMS-KAYWLYCHSA-N 1 0 409.614 6.123 50 0 HKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811669 569136070 /nfs/dbraw/zinc/13/60/70/569136070.db2.gz BUTBQVZUNMVFMS-SXOMAYOGSA-N 1 0 409.614 6.123 50 0 HKAARO CCOc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811670 569136065 /nfs/dbraw/zinc/13/60/65/569136065.db2.gz KSIGTWZTXBQQHL-SVBPBHIXSA-N 1 0 401.550 5.201 50 0 HKAARO CCOc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811671 569136084 /nfs/dbraw/zinc/13/60/84/569136084.db2.gz KSIGTWZTXBQQHL-RRPNLBNLSA-N 1 0 401.550 5.201 50 0 HKAARO CCOc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811672 569136108 /nfs/dbraw/zinc/13/61/08/569136108.db2.gz KSIGTWZTXBQQHL-SXOMAYOGSA-N 1 0 401.550 5.201 50 0 HKAARO CCOc1ccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811673 569136062 /nfs/dbraw/zinc/13/60/62/569136062.db2.gz KSIGTWZTXBQQHL-KAYWLYCHSA-N 1 0 401.550 5.201 50 0 HKAARO CCOc1ccc([C@](O)([C@@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006811674 569136197 /nfs/dbraw/zinc/13/61/97/569136197.db2.gz DPPYMNFCZGPLID-SVBPBHIXSA-N 1 0 407.598 5.733 50 0 HKAARO CCOc1ccc([C@@](O)([C@@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006811675 569136219 /nfs/dbraw/zinc/13/62/19/569136219.db2.gz DPPYMNFCZGPLID-RRPNLBNLSA-N 1 0 407.598 5.733 50 0 HKAARO CCOc1ccc([C@](O)([C@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006811676 569136236 /nfs/dbraw/zinc/13/62/36/569136236.db2.gz DPPYMNFCZGPLID-SXOMAYOGSA-N 1 0 407.598 5.733 50 0 HKAARO CCOc1ccc([C@@](O)([C@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006811677 568459459 /nfs/dbraw/zinc/45/94/59/568459459.db2.gz DPPYMNFCZGPLID-KAYWLYCHSA-N 1 0 407.598 5.733 50 0 HKAARO CCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811678 569136216 /nfs/dbraw/zinc/13/62/16/569136216.db2.gz RPZFYSRWWIINSN-NSOVKSMOSA-N 1 0 415.577 5.395 50 0 HKAARO CCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811679 569136192 /nfs/dbraw/zinc/13/61/92/569136192.db2.gz RPZFYSRWWIINSN-WUFINQPMSA-N 1 0 415.577 5.395 50 0 HKAARO CCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811680 569136184 /nfs/dbraw/zinc/13/61/84/569136184.db2.gz RPZFYSRWWIINSN-IZLXSDGUSA-N 1 0 415.577 5.395 50 0 HKAARO CCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811681 569136186 /nfs/dbraw/zinc/13/61/86/569136186.db2.gz RPZFYSRWWIINSN-VSGBNLITSA-N 1 0 415.577 5.395 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000006832690 557725949 /nfs/dbraw/zinc/72/59/49/557725949.db2.gz FLGIVVFXBDKILZ-NRFANRHFSA-N 1 0 413.924 5.223 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000006832784 557725942 /nfs/dbraw/zinc/72/59/42/557725942.db2.gz QKRCBHWOMOEWTQ-SFHVURJKSA-N 1 0 401.963 5.146 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000006832804 557725995 /nfs/dbraw/zinc/72/59/95/557725995.db2.gz FLGIVVFXBDKILZ-OAQYLSRUSA-N 1 0 413.924 5.223 50 0 HKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000006832903 557726021 /nfs/dbraw/zinc/72/60/21/557726021.db2.gz QKRCBHWOMOEWTQ-GOSISDBHSA-N 1 0 401.963 5.146 50 0 HKAARO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1OC ZINC000006847523 569154011 /nfs/dbraw/zinc/15/40/11/569154011.db2.gz KLLUXTMIHCIHJO-CDCUFJRJSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000006850821 557726899 /nfs/dbraw/zinc/72/68/99/557726899.db2.gz REGUWLDOHYNTHF-QFIPXVFZSA-N 1 0 401.594 6.563 50 0 HKAARO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000006852876 557726834 /nfs/dbraw/zinc/72/68/34/557726834.db2.gz REGUWLDOHYNTHF-JOCHJYFZSA-N 1 0 401.594 6.563 50 0 HKAARO CCCC[N@H+](C)CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000006858151 569156862 /nfs/dbraw/zinc/15/68/62/569156862.db2.gz PTWNZMJGXRDSMG-UHFFFAOYSA-N 1 0 419.613 5.169 50 0 HKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000006859755 569157449 /nfs/dbraw/zinc/15/74/49/569157449.db2.gz FUZNXOMOTYQVHQ-HXUWFJFHSA-N 1 0 400.950 5.088 50 0 HKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000006859758 569157456 /nfs/dbraw/zinc/15/74/56/569157456.db2.gz FUZNXOMOTYQVHQ-FQEVSTJZSA-N 1 0 400.950 5.088 50 0 HKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)CC(C)C)c[nH]c21 ZINC000006872519 569162323 /nfs/dbraw/zinc/16/23/23/569162323.db2.gz FXRBUDFBRIGTFE-UNMCSNQZSA-N 1 0 413.650 5.877 50 0 HKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)CC(C)C)c[nH]c21 ZINC000006872520 569162285 /nfs/dbraw/zinc/16/22/85/569162285.db2.gz FXRBUDFBRIGTFE-RBBKRZOGSA-N 1 0 413.650 5.877 50 0 HKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)CC(C)C)c[nH]c21 ZINC000006872522 569162289 /nfs/dbraw/zinc/16/22/89/569162289.db2.gz FXRBUDFBRIGTFE-IRLDBZIGSA-N 1 0 413.650 5.877 50 0 HKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)CC(C)C)c[nH]c21 ZINC000006872524 569162229 /nfs/dbraw/zinc/16/22/29/569162229.db2.gz FXRBUDFBRIGTFE-IFMALSPDSA-N 1 0 413.650 5.877 50 0 HKAARO CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877428 569164194 /nfs/dbraw/zinc/16/41/94/569164194.db2.gz RGVJHDYIBRHUPD-IBGZPJMESA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877429 569164209 /nfs/dbraw/zinc/16/42/09/569164209.db2.gz RGVJHDYIBRHUPD-LJQANCHMSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877430 569164230 /nfs/dbraw/zinc/16/42/30/569164230.db2.gz CDNYRSUSZJUZPY-FQEVSTJZSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877431 569164299 /nfs/dbraw/zinc/16/42/99/569164299.db2.gz CDNYRSUSZJUZPY-HXUWFJFHSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877432 569164307 /nfs/dbraw/zinc/16/43/07/569164307.db2.gz SNXJOLBLQZTHFJ-IBGZPJMESA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877433 569164247 /nfs/dbraw/zinc/16/42/47/569164247.db2.gz SNXJOLBLQZTHFJ-LJQANCHMSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877434 569164173 /nfs/dbraw/zinc/16/41/73/569164173.db2.gz CYBGFASFUKVIBE-FQEVSTJZSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877435 569164271 /nfs/dbraw/zinc/16/42/71/569164271.db2.gz CYBGFASFUKVIBE-HXUWFJFHSA-N 1 0 422.598 5.416 50 0 HKAARO CC[C@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877436 569164165 /nfs/dbraw/zinc/16/41/65/569164165.db2.gz PLQNYXJQQTYVFJ-IBGZPJMESA-N 1 0 408.571 5.108 50 0 HKAARO CC[C@@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877437 569164156 /nfs/dbraw/zinc/16/41/56/569164156.db2.gz PLQNYXJQQTYVFJ-LJQANCHMSA-N 1 0 408.571 5.108 50 0 HKAARO CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877440 569164137 /nfs/dbraw/zinc/16/41/37/569164137.db2.gz BCDVSJNFQPPQLX-FQEVSTJZSA-N 1 0 422.598 5.498 50 0 HKAARO CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877441 569164282 /nfs/dbraw/zinc/16/42/82/569164282.db2.gz BCDVSJNFQPPQLX-HXUWFJFHSA-N 1 0 422.598 5.498 50 0 HKAARO CCc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000006877444 569164331 /nfs/dbraw/zinc/16/43/31/569164331.db2.gz BXPQHLDFGULBPV-KRWDZBQOSA-N 1 0 422.598 5.362 50 0 HKAARO CCc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000006877445 569164393 /nfs/dbraw/zinc/16/43/93/569164393.db2.gz BXPQHLDFGULBPV-QGZVFWFLSA-N 1 0 422.598 5.362 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877446 569164365 /nfs/dbraw/zinc/16/43/65/569164365.db2.gz UBXGRHXPVLOIIY-GOSISDBHSA-N 1 0 422.598 5.416 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877447 569164336 /nfs/dbraw/zinc/16/43/36/569164336.db2.gz UBXGRHXPVLOIIY-SFHVURJKSA-N 1 0 422.598 5.416 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877448 569164407 /nfs/dbraw/zinc/16/44/07/569164407.db2.gz UTHNATOZTOEKHC-GOSISDBHSA-N 1 0 422.598 5.416 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877449 569164401 /nfs/dbraw/zinc/16/44/01/569164401.db2.gz UTHNATOZTOEKHC-SFHVURJKSA-N 1 0 422.598 5.416 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877450 569164442 /nfs/dbraw/zinc/16/44/42/569164442.db2.gz AGVTUDXTAJDOEM-QGZVFWFLSA-N 1 0 408.571 5.108 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877451 569164456 /nfs/dbraw/zinc/16/44/56/569164456.db2.gz AGVTUDXTAJDOEM-KRWDZBQOSA-N 1 0 408.571 5.108 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877452 569164418 /nfs/dbraw/zinc/16/44/18/569164418.db2.gz ATEXUYQEHYKYDQ-QGZVFWFLSA-N 1 0 408.571 5.108 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877453 569164358 /nfs/dbraw/zinc/16/43/58/569164358.db2.gz ATEXUYQEHYKYDQ-KRWDZBQOSA-N 1 0 408.571 5.108 50 0 HKAARO CCc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000006877454 569164461 /nfs/dbraw/zinc/16/44/61/569164461.db2.gz ULNQWSGKZPZNLN-KRWDZBQOSA-N 1 0 422.598 5.362 50 0 HKAARO CCc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000006877455 569164413 /nfs/dbraw/zinc/16/44/13/569164413.db2.gz ULNQWSGKZPZNLN-QGZVFWFLSA-N 1 0 422.598 5.362 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877456 569164464 /nfs/dbraw/zinc/16/44/64/569164464.db2.gz CBZANGGTDBXNCE-GOSISDBHSA-N 1 0 422.598 5.416 50 0 HKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877457 569164371 /nfs/dbraw/zinc/16/43/71/569164371.db2.gz CBZANGGTDBXNCE-SFHVURJKSA-N 1 0 422.598 5.416 50 0 HKAARO O=C(Nc1ccccc1Cl)N(Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006877554 569164520 /nfs/dbraw/zinc/16/45/20/569164520.db2.gz OGTMKNOCKSZBMZ-UHFFFAOYSA-N 1 0 423.944 5.632 50 0 HKAARO CCc1ccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006877555 569164532 /nfs/dbraw/zinc/16/45/32/569164532.db2.gz FZFUPFFDLITBFC-UHFFFAOYSA-N 1 0 417.553 5.541 50 0 HKAARO Cc1cccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000006877556 569164513 /nfs/dbraw/zinc/16/45/13/569164513.db2.gz PXKUSMZNRYYHKU-UHFFFAOYSA-N 1 0 417.553 5.595 50 0 HKAARO Cc1ccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000006877558 569164470 /nfs/dbraw/zinc/16/44/70/569164470.db2.gz KBHANECCZHTNTD-UHFFFAOYSA-N 1 0 421.516 5.426 50 0 HKAARO O=C(Nc1ccccc1F)N(Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006877559 569164473 /nfs/dbraw/zinc/16/44/73/569164473.db2.gz QOLVXLWZCIQZOQ-UHFFFAOYSA-N 1 0 407.489 5.117 50 0 HKAARO Cc1ccc(CN(C(=O)Nc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006877649 569164626 /nfs/dbraw/zinc/16/46/26/569164626.db2.gz CSIPAGSJVZFWIC-UHFFFAOYSA-N 1 0 403.526 5.287 50 0 HKAARO Cc1ccc(CN(C(=O)Nc2ccccc2F)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006877655 569164586 /nfs/dbraw/zinc/16/45/86/569164586.db2.gz ONHUUVZRKXHXAQ-UHFFFAOYSA-N 1 0 421.516 5.426 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006877658 569164680 /nfs/dbraw/zinc/16/46/80/569164680.db2.gz TZRJZKYNOLYTSC-UHFFFAOYSA-N 1 0 412.386 5.573 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000006877661 569164608 /nfs/dbraw/zinc/16/46/08/569164608.db2.gz AUGIBIJLECHEHA-UHFFFAOYSA-N 1 0 415.965 5.175 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006877663 569164645 /nfs/dbraw/zinc/16/46/45/569164645.db2.gz MNQPXVOKIVBGJR-UHFFFAOYSA-N 1 0 415.965 5.175 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000006877664 569164640 /nfs/dbraw/zinc/16/46/40/569164640.db2.gz IRBUJVRIRYAENU-UHFFFAOYSA-N 1 0 415.965 5.175 50 0 HKAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006877675 569164662 /nfs/dbraw/zinc/16/46/62/569164662.db2.gz FXQPCLZDGPVALK-UHFFFAOYSA-N 1 0 403.929 5.306 50 0 HKAARO CC[NH+](CC)[C@@H](CNc1nc(C)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000006880948 569167762 /nfs/dbraw/zinc/16/77/62/569167762.db2.gz YCWBTMKSYLNHKT-SFHVURJKSA-N 1 0 415.006 5.637 50 0 HKAARO CC[NH+](CC)[C@H](CNc1nc(C)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000006880950 569167768 /nfs/dbraw/zinc/16/77/68/569167768.db2.gz YCWBTMKSYLNHKT-GOSISDBHSA-N 1 0 415.006 5.637 50 0 HKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc12 ZINC000006913231 569179514 /nfs/dbraw/zinc/17/95/14/569179514.db2.gz DAEHTYRCYFDJEA-UHFFFAOYSA-N 1 0 417.597 5.302 50 0 HKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000006913237 569179473 /nfs/dbraw/zinc/17/94/73/569179473.db2.gz QUILLGZAXASMIG-FQEVSTJZSA-N 1 0 417.597 5.301 50 0 HKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000006913242 569179475 /nfs/dbraw/zinc/17/94/75/569179475.db2.gz QUILLGZAXASMIG-HXUWFJFHSA-N 1 0 417.597 5.301 50 0 HKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc12 ZINC000006913601 569179579 /nfs/dbraw/zinc/17/95/79/569179579.db2.gz MUYZZQCINGDSJW-UHFFFAOYSA-N 1 0 423.988 5.176 50 0 HKAARO CC[N@H+](CCCNC(=O)c1ccc(N2CCc3ccccc32)s1)Cc1ccccc1 ZINC000006913852 569179830 /nfs/dbraw/zinc/17/98/30/569179830.db2.gz RSGDIJUXSVCXKW-UHFFFAOYSA-N 1 0 419.594 5.084 50 0 HKAARO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006927336 557730420 /nfs/dbraw/zinc/73/04/20/557730420.db2.gz POFKIMJZNMOAJA-SKBVVQJISA-N 1 0 402.582 5.060 50 0 HKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1C ZINC000007000350 569197745 /nfs/dbraw/zinc/19/77/45/569197745.db2.gz RLUJWONXHXYGHL-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)c(Cl)c1 ZINC000007000354 569197895 /nfs/dbraw/zinc/19/78/95/569197895.db2.gz BSTXFFPMXBQEPZ-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000007000381 569197932 /nfs/dbraw/zinc/19/79/32/569197932.db2.gz CMGDKRQSQHUSPS-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO CCc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc1 ZINC000007000414 569197220 /nfs/dbraw/zinc/19/72/20/569197220.db2.gz RORRYRNCDSMIJA-UHFFFAOYSA-N 1 0 422.960 5.116 50 0 HKAARO Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c1 ZINC000007000417 569197239 /nfs/dbraw/zinc/19/72/39/569197239.db2.gz KRCBGVZNLVFDRL-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c1 ZINC000007000418 569197210 /nfs/dbraw/zinc/19/72/10/569197210.db2.gz KPWQXYLNXHOSAI-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO CCc1ccc(NC(=O)c2cnn(-c3ccc(C(C)C)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000007000496 569197351 /nfs/dbraw/zinc/19/73/51/569197351.db2.gz KPQMMYCMVXOVAE-UHFFFAOYSA-N 1 0 416.569 5.277 50 0 HKAARO CCc1cccc(NC(=O)c2cnn(-c3ccc(C(C)C)cc3)c2C2CC[NH2+]CC2)c1 ZINC000007000501 569197341 /nfs/dbraw/zinc/19/73/41/569197341.db2.gz ZTPFWKABSSYKOS-UHFFFAOYSA-N 1 0 416.569 5.277 50 0 HKAARO Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1C1CC[NH2+]CC1 ZINC000007000504 569197319 /nfs/dbraw/zinc/19/73/19/569197319.db2.gz AYZCIFUFXHRCAH-UHFFFAOYSA-N 1 0 420.532 5.163 50 0 HKAARO Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(C(C)C)cc3)c2C2CC[NH2+]CC2)c1 ZINC000007000507 569197307 /nfs/dbraw/zinc/19/73/07/569197307.db2.gz SOZCUVCOMUCDSH-UHFFFAOYSA-N 1 0 416.569 5.332 50 0 HKAARO CCc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1 ZINC000007000511 569197355 /nfs/dbraw/zinc/19/73/55/569197355.db2.gz VPXPSCQSNPGQSH-UHFFFAOYSA-N 1 0 422.960 5.116 50 0 HKAARO Cc1ccc(C)c(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)c1 ZINC000007000514 569197315 /nfs/dbraw/zinc/19/73/15/569197315.db2.gz GFGSQSCKSRGHJG-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)n2c1 ZINC000007001094 569198807 /nfs/dbraw/zinc/19/88/07/569198807.db2.gz FFWOQACUSPCTNH-UHFFFAOYSA-N 1 0 424.548 5.160 50 0 HKAARO Cc1cccc(C[N@H+](C)CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000007078297 569217964 /nfs/dbraw/zinc/21/79/64/569217964.db2.gz HTAITCAZHVHSQM-UHFFFAOYSA-N 1 0 414.376 6.540 50 0 HKAARO CCOC(=O)CCCCCC[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000007078389 569218053 /nfs/dbraw/zinc/21/80/53/569218053.db2.gz UGUQGMJSNDMTRT-UHFFFAOYSA-N 1 0 408.369 6.186 50 0 HKAARO CC1CC[NH+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)CC1 ZINC000007109748 569221414 /nfs/dbraw/zinc/22/14/14/569221414.db2.gz PCXDEPCSYMZRTD-AREMUKBSSA-N 1 0 411.549 5.249 50 0 HKAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@H](C)[C@@H]4C)cc3)sc2c1 ZINC000007141318 569225591 /nfs/dbraw/zinc/22/55/91/569225591.db2.gz WVIZROQDRHVFIV-ABSDTBQOSA-N 1 0 407.583 5.625 50 0 HKAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@@H](C)[C@@H]4C)cc3)sc2c1 ZINC000007141320 569226024 /nfs/dbraw/zinc/22/60/24/569226024.db2.gz WVIZROQDRHVFIV-FUHIMQAGSA-N 1 0 407.583 5.625 50 0 HKAARO CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007327923 569233712 /nfs/dbraw/zinc/23/37/12/569233712.db2.gz FAMKWGRPMSLOFH-HXUWFJFHSA-N 1 0 401.535 5.161 50 0 HKAARO CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000007327924 569233663 /nfs/dbraw/zinc/23/36/63/569233663.db2.gz FAMKWGRPMSLOFH-FQEVSTJZSA-N 1 0 401.535 5.161 50 0 HKAARO O=c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000007328140 569233607 /nfs/dbraw/zinc/23/36/07/569233607.db2.gz DGNAVYCUSZQRHE-LSDHHAIUSA-N 1 0 413.974 5.317 50 0 HKAARO O=c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000007328142 569233647 /nfs/dbraw/zinc/23/36/47/569233647.db2.gz DGNAVYCUSZQRHE-HUUCEWRRSA-N 1 0 413.974 5.317 50 0 HKAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000007437216 569238990 /nfs/dbraw/zinc/23/89/90/569238990.db2.gz WDHBXARAJGMQHC-UHFFFAOYSA-N 1 0 417.534 5.082 50 0 HKAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Br)ccc1Cl ZINC000007447586 569239410 /nfs/dbraw/zinc/23/94/10/569239410.db2.gz IOZXUCLVFLTPFN-UHFFFAOYSA-N 1 0 421.766 5.018 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000007492211 569241848 /nfs/dbraw/zinc/24/18/48/569241848.db2.gz WCNDRNATTYDGSM-UHFFFAOYSA-N 1 0 419.956 5.160 50 0 HKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000007523354 557744882 /nfs/dbraw/zinc/74/48/82/557744882.db2.gz OELMOHDBAPMKCX-UHFFFAOYSA-N 1 0 420.366 6.370 50 0 HKAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1cccs1 ZINC000007523828 568481095 /nfs/dbraw/zinc/48/10/95/568481095.db2.gz QUEZEJCSNIJFPQ-UHFFFAOYSA-N 1 0 406.551 5.539 50 0 HKAARO COc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000007538277 557745877 /nfs/dbraw/zinc/74/58/77/557745877.db2.gz FRVSZFRKKMRJHD-UHFFFAOYSA-N 1 0 402.321 5.871 50 0 HKAARO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000007538450 557745939 /nfs/dbraw/zinc/74/59/39/557745939.db2.gz OIZGKWIDPQCRLP-UHFFFAOYSA-N 1 0 402.321 5.871 50 0 HKAARO COc1ccc(C[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000007538481 557745894 /nfs/dbraw/zinc/74/58/94/557745894.db2.gz YCZMKPQPUUTEPA-UHFFFAOYSA-N 1 0 401.481 5.856 50 0 HKAARO C[N@H+](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCCc2ccccc21 ZINC000007583078 569283334 /nfs/dbraw/zinc/28/33/34/569283334.db2.gz LCXDIGSQFQSOEV-JOCHJYFZSA-N 1 0 419.594 5.012 50 0 HKAARO C[N@H+](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCCc2ccccc21 ZINC000007583082 569283379 /nfs/dbraw/zinc/28/33/79/569283379.db2.gz LCXDIGSQFQSOEV-QFIPXVFZSA-N 1 0 419.594 5.012 50 0 HKAARO C[N@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583139 569283373 /nfs/dbraw/zinc/28/33/73/569283373.db2.gz MPKOXKGPBIYWGW-SIKLNZKXSA-N 1 0 419.594 5.012 50 0 HKAARO C[N@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583144 569283328 /nfs/dbraw/zinc/28/33/28/569283328.db2.gz MPKOXKGPBIYWGW-DENIHFKCSA-N 1 0 419.594 5.012 50 0 HKAARO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007654098 569299100 /nfs/dbraw/zinc/29/91/00/569299100.db2.gz VYMIZTVBQATCHE-VWLOTQADSA-N 1 0 402.513 5.460 50 0 HKAARO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007654101 569299117 /nfs/dbraw/zinc/29/91/17/569299117.db2.gz VYMIZTVBQATCHE-RUZDIDTESA-N 1 0 402.513 5.460 50 0 HKAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664195 569299679 /nfs/dbraw/zinc/29/96/79/569299679.db2.gz XDSZRYRRMMHLAM-HOTGVXAUSA-N 1 0 421.591 5.626 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccs1 ZINC000007664196 569299769 /nfs/dbraw/zinc/29/97/69/569299769.db2.gz XDSZRYRRMMHLAM-CVEARBPZSA-N 1 0 421.591 5.626 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664197 569299725 /nfs/dbraw/zinc/29/97/25/569299725.db2.gz XDSZRYRRMMHLAM-JKSUJKDBSA-N 1 0 421.591 5.626 50 0 HKAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664198 569299676 /nfs/dbraw/zinc/29/96/76/569299676.db2.gz XDSZRYRRMMHLAM-HZPDHXFCSA-N 1 0 421.591 5.626 50 0 HKAARO O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000007686885 569300790 /nfs/dbraw/zinc/30/07/90/569300790.db2.gz UEWPKQWPLZYCCK-FQEVSTJZSA-N 1 0 404.535 5.143 50 0 HKAARO O=C(Cc1coc2ccc3ccccc3c12)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000007686893 569300830 /nfs/dbraw/zinc/30/08/30/569300830.db2.gz UEWPKQWPLZYCCK-HXUWFJFHSA-N 1 0 404.535 5.143 50 0 HKAARO C[NH+](C)Cc1ccccc1CNC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000007718362 569302051 /nfs/dbraw/zinc/30/20/51/569302051.db2.gz HEHKVVIVACJDCL-UHFFFAOYSA-N 1 0 421.610 5.167 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)c1ccc(C)c(C)c1 ZINC000007736181 569304962 /nfs/dbraw/zinc/30/49/62/569304962.db2.gz SVWMLJWWVVICBZ-DEOSSOPVSA-N 1 0 405.538 5.023 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)c1ccc(C)c(C)c1 ZINC000007736183 569304946 /nfs/dbraw/zinc/30/49/46/569304946.db2.gz SVWMLJWWVVICBZ-XMMPIXPASA-N 1 0 405.538 5.023 50 0 HKAARO Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)N(C1CC1)C(c1ccccc1)=[NH+]2 ZINC000007778805 569309244 /nfs/dbraw/zinc/30/92/44/569309244.db2.gz VMLUQMKYNUHZDC-HSZRJFAPSA-N 1 0 410.546 5.888 50 0 HKAARO Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)N(C1CC1)C(c1ccccc1)=[NH+]2 ZINC000007778806 569309205 /nfs/dbraw/zinc/30/92/05/569309205.db2.gz VMLUQMKYNUHZDC-QHCPKHFHSA-N 1 0 410.546 5.888 50 0 HKAARO c1c(-c2ccccc2)sc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000007783056 569310169 /nfs/dbraw/zinc/31/01/69/569310169.db2.gz KBPNJCCORFMDHJ-UHFFFAOYSA-N 1 0 400.551 5.435 50 0 HKAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000007849927 569314592 /nfs/dbraw/zinc/31/45/92/569314592.db2.gz DRYWMJLRBOTLQK-UHFFFAOYSA-N 1 0 421.766 5.018 50 0 HKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850062 569314627 /nfs/dbraw/zinc/31/46/27/569314627.db2.gz HRCCPOHPZUACRD-UHFFFAOYSA-N 1 0 423.944 5.219 50 0 HKAARO CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000007900915 569320161 /nfs/dbraw/zinc/32/01/61/569320161.db2.gz LWRJAADQIUPAGK-UHFFFAOYSA-N 1 0 413.905 5.076 50 0 HKAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926702 569327232 /nfs/dbraw/zinc/32/72/32/569327232.db2.gz QDMAPLQPQOBTTI-AWEZNQCLSA-N 1 0 400.881 5.100 50 0 HKAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926703 569327251 /nfs/dbraw/zinc/32/72/51/569327251.db2.gz QDMAPLQPQOBTTI-CQSZACIVSA-N 1 0 400.881 5.100 50 0 HKAARO Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007941518 569401902 /nfs/dbraw/zinc/40/19/02/569401902.db2.gz PSOVMNJAQWRLLK-UHFFFAOYSA-N 1 0 411.596 5.096 50 0 HKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000007946425 569402785 /nfs/dbraw/zinc/40/27/85/569402785.db2.gz RPGHYVAFHGJIKV-IBGZPJMESA-N 1 0 404.554 5.110 50 0 HKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000007977095 568963075 /nfs/dbraw/zinc/96/30/75/568963075.db2.gz GKPOIGYCTXXMGV-UHFFFAOYSA-N 1 0 417.500 5.103 50 0 HKAARO CCOc1ccc([C@@H](C)[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC ZINC000007982486 568963830 /nfs/dbraw/zinc/96/38/30/568963830.db2.gz HSMKIQDTRUEWAS-QGZVFWFLSA-N 1 0 411.492 6.202 50 0 HKAARO CCOc1ccc([C@H](C)[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC ZINC000007982488 568963862 /nfs/dbraw/zinc/96/38/62/568963862.db2.gz HSMKIQDTRUEWAS-KRWDZBQOSA-N 1 0 411.492 6.202 50 0 HKAARO COc1cc(C[NH2+]CCSc2ccc(C)cc2)ccc1OCc1csc(C)n1 ZINC000007983977 568963938 /nfs/dbraw/zinc/96/39/38/568963938.db2.gz YNQWYHHSZAYKFO-UHFFFAOYSA-N 1 0 414.596 5.229 50 0 HKAARO CC[NH+](CC)CCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000007984387 568964215 /nfs/dbraw/zinc/96/42/15/568964215.db2.gz RIMSSINWKXXGRX-UHFFFAOYSA-N 1 0 408.373 5.067 50 0 HKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000007984684 568964176 /nfs/dbraw/zinc/96/41/76/568964176.db2.gz QVQFGCKLZIEKPG-UHFFFAOYSA-N 1 0 403.929 5.294 50 0 HKAARO CCOc1cc2c(cc1C[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@H](C)C2 ZINC000007986251 568964734 /nfs/dbraw/zinc/96/47/34/568964734.db2.gz YDFVQSMIHKOMPU-OAHLLOKOSA-N 1 0 419.949 5.148 50 0 HKAARO CCOc1cc2c(cc1C[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@@H](C)C2 ZINC000007986252 568964740 /nfs/dbraw/zinc/96/47/40/568964740.db2.gz YDFVQSMIHKOMPU-HNNXBMFYSA-N 1 0 419.949 5.148 50 0 HKAARO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CCCCC1 ZINC000007989088 568966146 /nfs/dbraw/zinc/96/61/46/568966146.db2.gz GHJIYMWSCLZKKX-UHFFFAOYSA-N 1 0 421.972 5.550 50 0 HKAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000008003882 568967739 /nfs/dbraw/zinc/96/77/39/568967739.db2.gz FHPJRVUWDOFEPD-DEOSSOPVSA-N 1 0 419.500 5.003 50 0 HKAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000008003883 568967749 /nfs/dbraw/zinc/96/77/49/568967749.db2.gz FHPJRVUWDOFEPD-XMMPIXPASA-N 1 0 419.500 5.003 50 0 HKAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2C)CC1 ZINC000008025797 132327122 /nfs/dbraw/zinc/32/71/22/132327122.db2.gz KWUTVZXCIPSPOZ-UHFFFAOYSA-N 1 0 419.594 5.021 50 0 HKAARO CC(=O)c1c(-c2ccc(Cl)cc2)[n+](-c2ccccc2)c2sc3ccccc3n12 ZINC000008048442 568970730 /nfs/dbraw/zinc/97/07/30/568970730.db2.gz DLZFHJQIAHUWFX-UHFFFAOYSA-N 1 0 403.914 5.954 50 0 HKAARO Fc1ccc(-c2cc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c3s2)cc1 ZINC000008071674 568971638 /nfs/dbraw/zinc/97/16/38/568971638.db2.gz WTIFACPPPONTFN-UHFFFAOYSA-N 1 0 418.541 5.574 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000008143640 291296554 /nfs/dbraw/zinc/29/65/54/291296554.db2.gz XYNPYHXGMWJBLV-VXPJTDKGSA-N 1 0 415.662 5.367 50 0 biogenic,in-vitro HKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000008157415 568978751 /nfs/dbraw/zinc/97/87/51/568978751.db2.gz DMIFOZPJUGWKDS-HNNXBMFYSA-N 1 0 403.881 5.901 50 0 HKAARO CCOc1cc(C[NH2+][C@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000008157416 568978755 /nfs/dbraw/zinc/97/87/55/568978755.db2.gz DMIFOZPJUGWKDS-OAHLLOKOSA-N 1 0 403.881 5.901 50 0 HKAARO CCc1cccc(CC)c1C(OC[C@@H]1CCC[N@H+](C)C1)c1c(CC)cccc1CC ZINC000008202344 568982519 /nfs/dbraw/zinc/98/25/19/568982519.db2.gz YNNVNKCMTUUTBY-OAQYLSRUSA-N 1 0 407.642 6.384 50 0 HKAARO CCc1cccc(CC)c1C(OC[C@H]1CCC[N@H+](C)C1)c1c(CC)cccc1CC ZINC000008202349 568982428 /nfs/dbraw/zinc/98/24/28/568982428.db2.gz YNNVNKCMTUUTBY-NRFANRHFSA-N 1 0 407.642 6.384 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000008214720 557776103 /nfs/dbraw/zinc/77/61/03/557776103.db2.gz KWVISVAMQJWJSZ-WHDKYBTRSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000008214722 291296555 /nfs/dbraw/zinc/29/65/55/291296555.db2.gz KWVISVAMQJWJSZ-VKROHFNGSA-N 1 0 413.646 5.287 50 0 biogenic,in-vitro HKAARO Cc1ccc(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000008229971 568983564 /nfs/dbraw/zinc/98/35/64/568983564.db2.gz JELGPSIVWFIRKM-AREMUKBSSA-N 1 0 413.565 5.060 50 0 HKAARO Cc1ccc(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000008229974 568983559 /nfs/dbraw/zinc/98/35/59/568983559.db2.gz JELGPSIVWFIRKM-SANMLTNESA-N 1 0 413.565 5.060 50 0 HKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000008254040 557778277 /nfs/dbraw/zinc/77/82/77/557778277.db2.gz XJFJQZXOVSIISP-UHFFFAOYSA-N 1 0 404.348 5.459 50 0 HKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254106 557778446 /nfs/dbraw/zinc/77/84/46/557778446.db2.gz PBPWOKASQLSEBM-UHFFFAOYSA-N 1 0 408.369 6.393 50 0 HKAARO c1ccc(-c2noc(CCC[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000008275291 568986855 /nfs/dbraw/zinc/98/68/55/568986855.db2.gz WWQJLOGHDZXYFI-UHFFFAOYSA-N 1 0 404.539 5.159 50 0 HKAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000008324172 568990670 /nfs/dbraw/zinc/99/06/70/568990670.db2.gz YETYSELMMYQPOJ-UHFFFAOYSA-N 1 0 414.509 5.155 50 0 HKAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367139 568995521 /nfs/dbraw/zinc/99/55/21/568995521.db2.gz JOBCUNWJZCPZBA-QFIPXVFZSA-N 1 0 423.516 5.013 50 0 HKAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367140 568995480 /nfs/dbraw/zinc/99/54/80/568995480.db2.gz JOBCUNWJZCPZBA-JOCHJYFZSA-N 1 0 423.516 5.013 50 0 HKAARO C[NH+](C)CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008373820 557784298 /nfs/dbraw/zinc/78/42/98/557784298.db2.gz YQDAQPBXIHQFBH-UHFFFAOYSA-N 1 0 417.380 5.767 50 0 HKAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000008395041 568999247 /nfs/dbraw/zinc/99/92/47/568999247.db2.gz AKLLOXNCBKDOQI-UHFFFAOYSA-N 1 0 406.570 5.365 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395422 568999279 /nfs/dbraw/zinc/99/92/79/568999279.db2.gz MTGYJMJNQSVEEW-HSZRJFAPSA-N 1 0 414.505 5.047 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395423 568999372 /nfs/dbraw/zinc/99/93/72/568999372.db2.gz MTGYJMJNQSVEEW-QHCPKHFHSA-N 1 0 414.505 5.047 50 0 HKAARO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cc1OCC ZINC000008395696 568999569 /nfs/dbraw/zinc/99/95/69/568999569.db2.gz KIRXEGYOINSXOQ-HNNXBMFYSA-N 1 0 422.363 5.496 50 0 HKAARO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cc1OCC ZINC000008395697 568999552 /nfs/dbraw/zinc/99/95/52/568999552.db2.gz KIRXEGYOINSXOQ-OAHLLOKOSA-N 1 0 422.363 5.496 50 0 HKAARO COc1ccc(NC(=O)c2ccc(C[N@H+](C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000008428038 569002320 /nfs/dbraw/zinc/00/23/20/569002320.db2.gz FCYNIQNSYQTUEP-UHFFFAOYSA-N 1 0 406.551 5.301 50 0 HKAARO COc1ccc(NC(=O)c2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000008428336 569002401 /nfs/dbraw/zinc/00/24/01/569002401.db2.gz SULUYONUMMGNBD-UHFFFAOYSA-N 1 0 422.528 5.827 50 0 HKAARO O=C(Nc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1)c1ccccc1Cl ZINC000008428757 569002557 /nfs/dbraw/zinc/00/25/57/569002557.db2.gz FDNCIKGJDMYCTF-UHFFFAOYSA-N 1 0 403.913 5.406 50 0 HKAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000008430570 569002856 /nfs/dbraw/zinc/00/28/56/569002856.db2.gz DJEGPBIJRYFGJK-UHFFFAOYSA-N 1 0 412.624 5.081 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000008462956 569004303 /nfs/dbraw/zinc/00/43/03/569004303.db2.gz IZESIETXJJMYJQ-UHFFFAOYSA-N 1 0 401.341 5.605 50 0 HKAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470254 557791756 /nfs/dbraw/zinc/79/17/56/557791756.db2.gz XJBKHKNVABSXAU-UHFFFAOYSA-N 1 0 403.856 5.496 50 0 HKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008470272 557791684 /nfs/dbraw/zinc/79/16/84/557791684.db2.gz UBXDIHXYKKYMJE-UHFFFAOYSA-N 1 0 414.760 6.267 50 0 HKAARO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470406 557792038 /nfs/dbraw/zinc/79/20/38/557792038.db2.gz KULAVNHUGKBXFP-UHFFFAOYSA-N 1 0 422.396 6.784 50 0 HKAARO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1F ZINC000008470450 557791986 /nfs/dbraw/zinc/79/19/86/557791986.db2.gz SIJXZSJVASYCNG-UHFFFAOYSA-N 1 0 408.311 5.208 50 0 HKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)nc1 ZINC000008471803 557792245 /nfs/dbraw/zinc/79/22/45/557792245.db2.gz SICWZTGEUFIHOL-UHFFFAOYSA-N 1 0 412.961 5.237 50 0 HKAARO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccccc2Cl)cc1 ZINC000008474516 557792545 /nfs/dbraw/zinc/79/25/45/557792545.db2.gz GEFFRZYUOXPHFI-UHFFFAOYSA-N 1 0 411.929 5.269 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C ZINC000008491107 571060994 /nfs/dbraw/zinc/06/09/94/571060994.db2.gz FEDMXGHBZMNGLE-XMMPIXPASA-N 1 0 405.538 5.023 50 0 HKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@H](O)c1cc(C)c(C)cc1C ZINC000008491108 571061037 /nfs/dbraw/zinc/06/10/37/571061037.db2.gz FEDMXGHBZMNGLE-DEOSSOPVSA-N 1 0 405.538 5.023 50 0 HKAARO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1OC ZINC000008493584 557793144 /nfs/dbraw/zinc/79/31/44/557793144.db2.gz JOQHQICOOALVNL-UHFFFAOYSA-N 1 0 411.929 5.269 50 0 HKAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 ZINC000008495271 557793095 /nfs/dbraw/zinc/79/30/95/557793095.db2.gz NOLGUKCWDWMSLJ-UHFFFAOYSA-N 1 0 411.973 5.986 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008534232 557794068 /nfs/dbraw/zinc/79/40/68/557794068.db2.gz AWCYTFMFXNWFKD-INIZCTEOSA-N 1 0 416.348 6.432 50 0 HKAARO C[C@]12CC3CC([NH2+]Cc4ccc(OCc5ccccc5Cl)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534529 557793966 /nfs/dbraw/zinc/79/39/66/557793966.db2.gz DRCPADYBUJAUMB-FMLGTGLNSA-N 1 0 410.001 6.758 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008535304 557794172 /nfs/dbraw/zinc/79/41/72/557794172.db2.gz AWCYTFMFXNWFKD-MRXNPFEDSA-N 1 0 416.348 6.432 50 0 HKAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000008573235 571082316 /nfs/dbraw/zinc/08/23/16/571082316.db2.gz XFOQRACRUBXFDP-UHFFFAOYSA-N 1 0 412.533 5.850 50 0 HKAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008575167 571082422 /nfs/dbraw/zinc/08/24/22/571082422.db2.gz GRYBDOIYYMEICL-UHFFFAOYSA-N 1 0 411.549 5.517 50 0 HKAARO C[N@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000008599187 571089213 /nfs/dbraw/zinc/08/92/13/571089213.db2.gz QOEZDQKGQQRBCZ-UHFFFAOYSA-N 1 0 423.969 5.355 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613328 571095434 /nfs/dbraw/zinc/09/54/34/571095434.db2.gz VGJBIBXECCWTQD-QHCPKHFHSA-N 1 0 420.553 5.324 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613329 571095383 /nfs/dbraw/zinc/09/53/83/571095383.db2.gz VGJBIBXECCWTQD-HSZRJFAPSA-N 1 0 420.553 5.324 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCCC3)c(C)c2c1 ZINC000008613373 571095385 /nfs/dbraw/zinc/09/53/85/571095385.db2.gz ZIQCQUSQSIAMDY-QHCPKHFHSA-N 1 0 420.553 5.269 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCCC3)c(C)c2c1 ZINC000008613374 571095418 /nfs/dbraw/zinc/09/54/18/571095418.db2.gz ZIQCQUSQSIAMDY-HSZRJFAPSA-N 1 0 420.553 5.269 50 0 HKAARO O=C(Nc1ccccc1C(F)(F)F)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000008619115 571096013 /nfs/dbraw/zinc/09/60/13/571096013.db2.gz XOSBIAUWGGPPBW-UHFFFAOYSA-N 1 0 417.475 5.008 50 0 HKAARO C[NH+](C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(F)cc2s1 ZINC000008683813 571101317 /nfs/dbraw/zinc/10/13/17/571101317.db2.gz TWJVCTRJHWOADN-UHFFFAOYSA-N 1 0 418.346 5.012 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl ZINC000008707023 571103804 /nfs/dbraw/zinc/10/38/04/571103804.db2.gz CQZCIZAIKFZXBN-KRWDZBQOSA-N 1 0 412.917 5.052 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl ZINC000008707026 571103963 /nfs/dbraw/zinc/10/39/63/571103963.db2.gz CQZCIZAIKFZXBN-QGZVFWFLSA-N 1 0 412.917 5.052 50 0 HKAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717204 557801902 /nfs/dbraw/zinc/80/19/02/557801902.db2.gz DDZVLVSXWAYALD-BVZFJXPGSA-N 1 0 410.558 5.216 50 0 HKAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719367 571106407 /nfs/dbraw/zinc/10/64/07/571106407.db2.gz NXERYDQSZQBZDA-DEOSSOPVSA-N 1 0 416.521 5.293 50 0 HKAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719368 571106436 /nfs/dbraw/zinc/10/64/36/571106436.db2.gz NXERYDQSZQBZDA-XMMPIXPASA-N 1 0 416.521 5.293 50 0 HKAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCC(c4nc5ccccc5o4)CC3)n2c1 ZINC000008719838 571106697 /nfs/dbraw/zinc/10/66/97/571106697.db2.gz GSZLGACRIVDLTH-UHFFFAOYSA-N 1 0 422.532 5.831 50 0 HKAARO CCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000008721040 557802142 /nfs/dbraw/zinc/80/21/42/557802142.db2.gz JIMPELPXBXADEI-WKWMAYMFSA-N 1 0 406.397 6.573 50 0 HKAARO CCCCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000008721043 557802064 /nfs/dbraw/zinc/80/20/64/557802064.db2.gz JIMPELPXBXADEI-TYRYXLHPSA-N 1 0 406.397 6.573 50 0 HKAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCCCC3)cc2O)c1-c1ccc(Cl)cc1 ZINC000008743824 571111032 /nfs/dbraw/zinc/11/10/32/571111032.db2.gz SXNSSGUTRKALGZ-UHFFFAOYSA-N 1 0 411.933 5.276 50 0 HKAARO c1ccc(Oc2cccc(OCCOCC[N@@H+]3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008744559 571111001 /nfs/dbraw/zinc/11/10/01/571111001.db2.gz YSGJOMYLZFTKJP-AREMUKBSSA-N 1 0 418.537 5.497 50 0 biogenic HKAARO c1ccc(Oc2cccc(OCCOCC[N@@H+]3CCCC[C@H]3c3cccnc3)c2)cc1 ZINC000008744560 571111024 /nfs/dbraw/zinc/11/10/24/571111024.db2.gz YSGJOMYLZFTKJP-SANMLTNESA-N 1 0 418.537 5.497 50 0 biogenic HKAARO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008783323 571119527 /nfs/dbraw/zinc/11/95/27/571119527.db2.gz XUZDNDCWDBUHKM-UHFFFAOYSA-N 1 0 418.537 5.023 50 0 HKAARO Clc1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)cc1 ZINC000008855394 569390509 /nfs/dbraw/zinc/39/05/09/569390509.db2.gz AHNALRAMTSQXPD-UHFFFAOYSA-N 1 0 420.771 6.417 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008863005 571129121 /nfs/dbraw/zinc/12/91/21/571129121.db2.gz WSIOWRLPAMRZCV-QFIPXVFZSA-N 1 0 400.588 5.274 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008863006 571129096 /nfs/dbraw/zinc/12/90/96/571129096.db2.gz WSIOWRLPAMRZCV-JOCHJYFZSA-N 1 0 400.588 5.274 50 0 HKAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008863163 571129048 /nfs/dbraw/zinc/12/90/48/571129048.db2.gz AIDDPLRWGNVSIW-DEOSSOPVSA-N 1 0 404.579 5.762 50 0 HKAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008863164 571128899 /nfs/dbraw/zinc/12/88/99/571128899.db2.gz AIDDPLRWGNVSIW-XMMPIXPASA-N 1 0 404.579 5.762 50 0 HKAARO COc1ccc(-c2nnc([C@H](C)[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920732 571155158 /nfs/dbraw/zinc/15/51/58/571155158.db2.gz UMCNQFZUFPNORF-HTAPYJJXSA-N 1 0 407.514 5.432 50 0 HKAARO COc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920739 571155215 /nfs/dbraw/zinc/15/52/15/571155215.db2.gz UMCNQFZUFPNORF-VGOFRKELSA-N 1 0 407.514 5.432 50 0 HKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3nc4ccccc4s3)nc2c1C ZINC000009151930 571230736 /nfs/dbraw/zinc/23/07/36/571230736.db2.gz LURANIDCNOHTRF-UHFFFAOYSA-N 1 0 424.595 5.121 50 0 HKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3nc4ccccc4s3)sc2c(C)c1 ZINC000009151933 571230702 /nfs/dbraw/zinc/23/07/02/571230702.db2.gz MTYLYDXNNQDLNE-UHFFFAOYSA-N 1 0 424.595 5.121 50 0 HKAARO C[NH+]1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)CC1 ZINC000009159138 132336688 /nfs/dbraw/zinc/33/66/88/132336688.db2.gz XWMSUDQLDIMXDA-UHFFFAOYSA-N 1 0 420.365 5.212 50 0 HKAARO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCc2nccc3ccccc32)n1 ZINC000009221149 571238288 /nfs/dbraw/zinc/23/82/88/571238288.db2.gz XGBZXQRCEMIWSG-UHFFFAOYSA-N 1 0 405.571 5.310 50 0 HKAARO CCc1cccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c1 ZINC000009227319 571239269 /nfs/dbraw/zinc/23/92/69/571239269.db2.gz VHYXHLKDYPMPKP-UHFFFAOYSA-N 1 0 422.960 5.116 50 0 HKAARO CC(C)c1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3)c2C2CC[NH2+]CC2)cc1 ZINC000009227443 571239271 /nfs/dbraw/zinc/23/92/71/571239271.db2.gz ZNZXMFVPAASFGU-UHFFFAOYSA-N 1 0 422.960 5.368 50 0 HKAARO CC(C)c1ccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000009227445 571239185 /nfs/dbraw/zinc/23/91/85/571239185.db2.gz VSXPMVVMVXRUMR-UHFFFAOYSA-N 1 0 422.960 5.368 50 0 HKAARO Brc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCC2)cc1 ZINC000009271600 557834048 /nfs/dbraw/zinc/83/40/48/557834048.db2.gz TYXYSRWBGOOKNQ-UHFFFAOYSA-N 1 0 423.358 5.204 50 0 HKAARO CC[NH+](CC)P12(Oc3ccccc3O1)O[C@@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000009350992 571250605 /nfs/dbraw/zinc/25/06/05/571250605.db2.gz PRSHBXLJYQRYQW-BJKOFHAPSA-N 1 0 423.449 6.457 50 0 HKAARO CC[NH+](CC)P12(Oc3ccccc3O1)O[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000009350995 571250615 /nfs/dbraw/zinc/25/06/15/571250615.db2.gz PRSHBXLJYQRYQW-ZEQRLZLVSA-N 1 0 423.449 6.457 50 0 HKAARO CC[NH+](CC)P12(Oc3ccccc3O1)O[C@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000009356555 571251235 /nfs/dbraw/zinc/25/12/35/571251235.db2.gz PRSHBXLJYQRYQW-RPWUZVMVSA-N 1 0 423.449 6.457 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000009379410 571253582 /nfs/dbraw/zinc/25/35/82/571253582.db2.gz SSGCRIPOSLUITC-UHFFFAOYSA-N 1 0 408.505 5.145 50 0 HKAARO S=C(NC1CCCC1)N(Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000009482467 557844021 /nfs/dbraw/zinc/84/40/21/557844021.db2.gz VTJQLOSUESCSIH-UHFFFAOYSA-N 1 0 421.654 5.218 50 0 HKAARO CC[NH+](CC)CCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000009482913 571262157 /nfs/dbraw/zinc/26/21/57/571262157.db2.gz IEBBXPCLMUSCTK-UHFFFAOYSA-N 1 0 400.526 5.175 50 0 HKAARO Clc1ccc(-c2nc3c4ccccc4nc(SCC[NH+]4CCCCC4)n3n2)cc1 ZINC000009483038 557844029 /nfs/dbraw/zinc/84/40/29/557844029.db2.gz UUTUQALHMMXPBC-UHFFFAOYSA-N 1 0 423.973 5.176 50 0 HKAARO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000009527106 132340524 /nfs/dbraw/zinc/34/05/24/132340524.db2.gz VAQOALWUXSOHSD-UHFFFAOYSA-N 1 0 406.961 5.405 50 0 HKAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCCC1=CCCCC1)[C@@H]2c1ccccc1 ZINC000009527704 571266222 /nfs/dbraw/zinc/26/62/22/571266222.db2.gz KDFGBMSQPFATFH-RUZDIDTESA-N 1 0 422.638 5.573 50 0 HKAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCCC1=CCCCC1)[C@H]2c1ccccc1 ZINC000009527705 571266279 /nfs/dbraw/zinc/26/62/79/571266279.db2.gz KDFGBMSQPFATFH-VWLOTQADSA-N 1 0 422.638 5.573 50 0 HKAARO CC[N@H+](CCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)Cc1ccccc1 ZINC000009528748 571266346 /nfs/dbraw/zinc/26/63/46/571266346.db2.gz YZOGIHYVSXXCKC-UHFFFAOYSA-N 1 0 403.551 5.010 50 0 HKAARO CCC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000009530555 571266770 /nfs/dbraw/zinc/26/67/70/571266770.db2.gz GXLDTVIDFYRCTI-QFIPXVFZSA-N 1 0 401.510 5.008 50 0 HKAARO CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000009530557 571266729 /nfs/dbraw/zinc/26/67/29/571266729.db2.gz GXLDTVIDFYRCTI-JOCHJYFZSA-N 1 0 401.510 5.008 50 0 HKAARO Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC[NH+]2CCCCC2)nn1 ZINC000009578239 571270031 /nfs/dbraw/zinc/27/00/31/571270031.db2.gz YZJNUMUQOIJRAX-UHFFFAOYSA-N 1 0 414.575 5.293 50 0 HKAARO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000009583660 571271121 /nfs/dbraw/zinc/27/11/21/571271121.db2.gz QURLRRKCEQTJDQ-UHFFFAOYSA-N 1 0 407.945 5.158 50 0 HKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(C)c3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639751 525932295 /nfs/dbraw/zinc/93/22/95/525932295.db2.gz OKNRCHHLPWVCGX-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc1C ZINC000009639754 571275474 /nfs/dbraw/zinc/27/54/74/571275474.db2.gz RMNSYRAGDLISGU-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3nc4ccccc4s3)sc2cc1C ZINC000009708064 571280923 /nfs/dbraw/zinc/28/09/23/571280923.db2.gz LTIUQCIYZDWZHV-UHFFFAOYSA-N 1 0 424.595 5.121 50 0 HKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000009728045 571282739 /nfs/dbraw/zinc/28/27/39/571282739.db2.gz HSVZLTFGMZOPEJ-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cccnc3)ccc2[nH+]c2c1CCCC2 ZINC000009777105 571284999 /nfs/dbraw/zinc/28/49/99/571284999.db2.gz DTZNJTYWYSQMNX-UHFFFAOYSA-N 1 0 424.504 5.513 50 0 HKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccccn3)ccc2[nH+]c2c1CCCC2 ZINC000009777106 571285018 /nfs/dbraw/zinc/28/50/18/571285018.db2.gz ZKKDYUMOEQPIOV-UHFFFAOYSA-N 1 0 424.504 5.513 50 0 HKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000009805794 571285898 /nfs/dbraw/zinc/28/58/98/571285898.db2.gz HMHRWHLBTROQRT-UHFFFAOYSA-N 1 0 421.136 5.224 50 0 HKAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)c2ccccc12 ZINC000009805799 571285971 /nfs/dbraw/zinc/28/59/71/571285971.db2.gz FFWSFELNHHALIO-UHFFFAOYSA-N 1 0 422.326 5.624 50 0 HKAARO COc1cc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)ccc1OCc1ccccc1 ZINC000009805814 571285930 /nfs/dbraw/zinc/28/59/30/571285930.db2.gz RIWPLABTXWDPLC-UHFFFAOYSA-N 1 0 417.484 5.426 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000009849420 571288182 /nfs/dbraw/zinc/28/81/82/571288182.db2.gz ZQTZBVGWJXBIBT-UHFFFAOYSA-N 1 0 421.136 5.224 50 0 HKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(Br)c1 ZINC000009849628 571288250 /nfs/dbraw/zinc/28/82/50/571288250.db2.gz CVSWYAYEWLONBQ-UHFFFAOYSA-N 1 0 421.136 5.224 50 0 HKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000009851264 571288287 /nfs/dbraw/zinc/28/82/87/571288287.db2.gz UVPRLJHXMWLSLY-UHFFFAOYSA-N 1 0 420.738 5.225 50 0 HKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009942068 571291065 /nfs/dbraw/zinc/29/10/65/571291065.db2.gz PCCQPCXCYQGDJN-UHFFFAOYSA-N 1 0 410.949 5.338 50 0 HKAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000009942259 571291101 /nfs/dbraw/zinc/29/11/01/571291101.db2.gz VXXGADQDJADNGV-UHFFFAOYSA-N 1 0 418.585 5.499 50 0 HKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000009942417 571291131 /nfs/dbraw/zinc/29/11/31/571291131.db2.gz PNUAYNZNCUMOEL-UHFFFAOYSA-N 1 0 404.558 5.383 50 0 HKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000009942421 571291151 /nfs/dbraw/zinc/29/11/51/571291151.db2.gz VGPQLYDTLUYHEI-UHFFFAOYSA-N 1 0 404.558 5.383 50 0 HKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009942425 571291109 /nfs/dbraw/zinc/29/11/09/571291109.db2.gz ZSUUUNLBZJTWPH-UHFFFAOYSA-N 1 0 424.976 5.728 50 0 HKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009942430 571291160 /nfs/dbraw/zinc/29/11/60/571291160.db2.gz FMFFMLGQVPPNIQ-UHFFFAOYSA-N 1 0 424.976 5.728 50 0 HKAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009942785 571291190 /nfs/dbraw/zinc/29/11/90/571291190.db2.gz ARAUNQXZEPXBEG-UHFFFAOYSA-N 1 0 404.558 5.554 50 0 HKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009942793 571291112 /nfs/dbraw/zinc/29/11/12/571291112.db2.gz OJCOWMDWKOLJDR-UHFFFAOYSA-N 1 0 420.557 5.011 50 0 HKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009958744 571291790 /nfs/dbraw/zinc/29/17/90/571291790.db2.gz KMMMYQNCRMHECN-UHFFFAOYSA-N 1 0 410.949 5.338 50 0 HKAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)c1 ZINC000009959466 571291994 /nfs/dbraw/zinc/29/19/94/571291994.db2.gz GIXAIRSMGDIXDD-UHFFFAOYSA-N 1 0 404.558 5.554 50 0 HKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009959472 571291955 /nfs/dbraw/zinc/29/19/55/571291955.db2.gz PFPSJNHIXWPRDM-UHFFFAOYSA-N 1 0 424.976 5.899 50 0 HKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009959474 571292023 /nfs/dbraw/zinc/29/20/23/571292023.db2.gz JHGCSPPYQCSQJS-UHFFFAOYSA-N 1 0 424.976 5.899 50 0 HKAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)cc1 ZINC000009959477 571292058 /nfs/dbraw/zinc/29/20/58/571292058.db2.gz GHSATKIYJQTZKT-UHFFFAOYSA-N 1 0 420.557 5.254 50 0 HKAARO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009959479 571292066 /nfs/dbraw/zinc/29/20/66/571292066.db2.gz XZFXAGROCKZRJC-UHFFFAOYSA-N 1 0 420.557 5.254 50 0 HKAARO C[NH+]1CCN(c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000010035075 536424266 /nfs/dbraw/zinc/42/42/66/536424266.db2.gz VINSAJCURLWEDS-UHFFFAOYSA-N 1 0 420.365 5.212 50 0 HKAARO Brc1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000010060499 569253166 /nfs/dbraw/zinc/25/31/66/569253166.db2.gz SXOVMGPGDPZANV-UHFFFAOYSA-N 1 0 424.180 5.288 50 0 HKAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc2c1C ZINC000010066144 571294688 /nfs/dbraw/zinc/29/46/88/571294688.db2.gz ASADEVBBWALWNL-UHFFFAOYSA-N 1 0 403.551 5.275 50 0 HKAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc2c(C)c1 ZINC000010066181 571294731 /nfs/dbraw/zinc/29/47/31/571294731.db2.gz OZOZISVAGMMKRA-UHFFFAOYSA-N 1 0 403.551 5.275 50 0 HKAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)sc2c(C)c1 ZINC000010066218 571294738 /nfs/dbraw/zinc/29/47/38/571294738.db2.gz ANKZHYCRVTXOGK-UHFFFAOYSA-N 1 0 403.551 5.275 50 0 HKAARO Cc1nc(-c2ccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)s2)cs1 ZINC000010105415 571295100 /nfs/dbraw/zinc/29/51/00/571295100.db2.gz HYXGQVQPLJQTQY-UHFFFAOYSA-N 1 0 411.596 5.096 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140234 571295470 /nfs/dbraw/zinc/29/54/70/571295470.db2.gz BQKQPZJFJFQQJF-HNNXBMFYSA-N 1 0 411.933 5.037 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140235 571295431 /nfs/dbraw/zinc/29/54/31/571295431.db2.gz BQKQPZJFJFQQJF-OAHLLOKOSA-N 1 0 411.933 5.037 50 0 HKAARO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225103 571297258 /nfs/dbraw/zinc/29/72/58/571297258.db2.gz ALMDPPGLURKODS-HNNXBMFYSA-N 1 0 411.933 5.037 50 0 HKAARO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225105 571297282 /nfs/dbraw/zinc/29/72/82/571297282.db2.gz ALMDPPGLURKODS-OAHLLOKOSA-N 1 0 411.933 5.037 50 0 HKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)c(Cl)c1 ZINC000010314051 557859349 /nfs/dbraw/zinc/85/93/49/557859349.db2.gz PAJAQCDCCCGJPN-UHFFFAOYSA-N 1 0 424.759 5.602 50 0 HKAARO C[C@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315499 557859661 /nfs/dbraw/zinc/85/96/61/557859661.db2.gz GEUFYPMTYMMXRC-KRWDZBQOSA-N 1 0 409.360 6.847 50 0 HKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315500 557859700 /nfs/dbraw/zinc/85/97/00/557859700.db2.gz GEUFYPMTYMMXRC-QGZVFWFLSA-N 1 0 409.360 6.847 50 0 HKAARO Cc1c(C[NH2+]Cc2cccnc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315518 557859631 /nfs/dbraw/zinc/85/96/31/557859631.db2.gz GXWVRKDTNHKGPJ-UHFFFAOYSA-N 1 0 410.348 5.990 50 0 HKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3cccs3)c3ccccc32)c(Cl)c1 ZINC000010315544 557859685 /nfs/dbraw/zinc/85/96/85/557859685.db2.gz AHWAUEZNXXVYEX-UHFFFAOYSA-N 1 0 401.362 6.348 50 0 HKAARO CCOCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000010315557 557859654 /nfs/dbraw/zinc/85/96/54/557859654.db2.gz BDMPZQQSZOTJAS-UHFFFAOYSA-N 1 0 405.369 5.821 50 0 HKAARO Cc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl ZINC000010315585 557859645 /nfs/dbraw/zinc/85/96/45/557859645.db2.gz JCNUZXFHFNGVMB-UHFFFAOYSA-N 1 0 418.924 5.670 50 0 HKAARO COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c3ccccc32)cc1 ZINC000010315625 557859679 /nfs/dbraw/zinc/85/96/79/557859679.db2.gz PQMVMOMCHWBCOP-UHFFFAOYSA-N 1 0 418.968 5.992 50 0 HKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000010315659 557859691 /nfs/dbraw/zinc/85/96/91/557859691.db2.gz ZLFFREXNTVOXPD-UHFFFAOYSA-N 1 0 409.360 6.595 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000010450875 132247759 /nfs/dbraw/zinc/24/77/59/132247759.db2.gz SCYPRBUBLNWKQZ-UHFFFAOYSA-N 1 0 415.562 5.664 50 0 HKAARO Clc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474111 558257938 /nfs/dbraw/zinc/25/79/38/558257938.db2.gz CPZTWPDOIXATOJ-UHFFFAOYSA-N 1 0 416.746 5.971 50 0 HKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475215 558258161 /nfs/dbraw/zinc/25/81/61/558258161.db2.gz MHIWTTVVDDBUEL-UHFFFAOYSA-N 1 0 400.291 5.457 50 0 HKAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000011121630 558853629 /nfs/dbraw/zinc/85/36/29/558853629.db2.gz BCESAXDYIJWBIU-UHFFFAOYSA-N 1 0 412.577 6.010 50 0 HKAARO CC1(C)CC(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000011422822 559075738 /nfs/dbraw/zinc/07/57/38/559075738.db2.gz IJHLUTWRKCNBPT-UHFFFAOYSA-N 1 0 421.560 5.332 50 0 HKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(SC)ccc1Cl ZINC000011554100 559101706 /nfs/dbraw/zinc/10/17/06/559101706.db2.gz IQVZXASVTGETEB-UHFFFAOYSA-N 1 0 416.978 5.006 50 0 HKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000011612282 558264561 /nfs/dbraw/zinc/26/45/61/558264561.db2.gz CWVBPMKCELIABZ-IIDMSEBBSA-N 1 0 405.369 5.440 50 0 HKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000011612284 558264579 /nfs/dbraw/zinc/26/45/79/558264579.db2.gz CWVBPMKCELIABZ-RVKKMQEKSA-N 1 0 405.369 5.440 50 0 HKAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)sc2c1 ZINC000011612415 559113769 /nfs/dbraw/zinc/11/37/69/559113769.db2.gz AHLIQNVNDPZZRJ-UHFFFAOYSA-N 1 0 403.551 5.220 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(F)cc2s1 ZINC000011612416 559113751 /nfs/dbraw/zinc/11/37/51/559113751.db2.gz JIJNOIUCEUUHFU-UHFFFAOYSA-N 1 0 421.541 5.577 50 0 HKAARO Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc5ncccc54)c3)cn2c1 ZINC000011653138 559122292 /nfs/dbraw/zinc/12/22/92/559122292.db2.gz QFCZNXVBARKUCH-UHFFFAOYSA-N 1 0 408.461 5.022 50 0 HKAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000011661061 558265047 /nfs/dbraw/zinc/26/50/47/558265047.db2.gz HPJDEAGIOCPMQE-NRFANRHFSA-N 1 0 401.510 5.033 50 0 HKAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000011661062 558265069 /nfs/dbraw/zinc/26/50/69/558265069.db2.gz HPJDEAGIOCPMQE-OAQYLSRUSA-N 1 0 401.510 5.033 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000011661468 558265268 /nfs/dbraw/zinc/26/52/68/558265268.db2.gz QQOHBFYXWGTRFZ-UHFFFAOYSA-N 1 0 401.510 5.033 50 0 HKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](Cc4cnn(C(C)C)c4)CC3)cc2)c1 ZINC000011662262 558265884 /nfs/dbraw/zinc/26/58/84/558265884.db2.gz FNXJVQBMDKXLSB-UHFFFAOYSA-N 1 0 416.569 5.290 50 0 HKAARO CCCCc1ncc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)[nH]1 ZINC000011663530 558267322 /nfs/dbraw/zinc/26/73/22/558267322.db2.gz RWNDDFRTUAGBNA-UHFFFAOYSA-N 1 0 402.970 5.037 50 0 HKAARO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011665460 558268917 /nfs/dbraw/zinc/26/89/17/558268917.db2.gz JXBTUQIBRGBJNN-HSZRJFAPSA-N 1 0 405.586 5.077 50 0 HKAARO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011665461 558268896 /nfs/dbraw/zinc/26/88/96/558268896.db2.gz JXBTUQIBRGBJNN-QHCPKHFHSA-N 1 0 405.586 5.077 50 0 HKAARO CSc1ccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000011667958 558269707 /nfs/dbraw/zinc/26/97/07/558269707.db2.gz WKTUWKGYZOQUOH-UHFFFAOYSA-N 1 0 423.626 5.101 50 0 HKAARO Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000011680893 558269967 /nfs/dbraw/zinc/26/99/67/558269967.db2.gz GXESHMAMLJKROZ-IXCJQBJRSA-N 1 0 413.561 5.729 50 0 HKAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000011702824 558270450 /nfs/dbraw/zinc/27/04/50/558270450.db2.gz MZORCDNVNRTEGN-UHFFFAOYSA-N 1 0 408.590 5.062 50 0 HKAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707624 558270925 /nfs/dbraw/zinc/27/09/25/558270925.db2.gz LCYXAZKLEPJFOR-SFHVURJKSA-N 1 0 410.489 5.089 50 0 HKAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707638 558270798 /nfs/dbraw/zinc/27/07/98/558270798.db2.gz LCYXAZKLEPJFOR-GOSISDBHSA-N 1 0 410.489 5.089 50 0 HKAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000011711904 558271500 /nfs/dbraw/zinc/27/15/00/558271500.db2.gz AAWCTCZUFUOVFF-HNNXBMFYSA-N 1 0 421.495 5.112 50 0 HKAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000011711912 558271383 /nfs/dbraw/zinc/27/13/83/558271383.db2.gz AAWCTCZUFUOVFF-OAHLLOKOSA-N 1 0 421.495 5.112 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000011716667 558271674 /nfs/dbraw/zinc/27/16/74/558271674.db2.gz SACPUGFUCFFRTQ-HSZRJFAPSA-N 1 0 414.549 5.255 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000011716676 558271720 /nfs/dbraw/zinc/27/17/20/558271720.db2.gz SACPUGFUCFFRTQ-QHCPKHFHSA-N 1 0 414.549 5.255 50 0 HKAARO COc1ccccc1-c1nc(C[NH+]2CCC(Sc3ccccc3C)CC2)c(C)o1 ZINC000011718788 558272072 /nfs/dbraw/zinc/27/20/72/558272072.db2.gz DQBGOXZJPYOQFG-UHFFFAOYSA-N 1 0 408.567 5.724 50 0 HKAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719602 558272079 /nfs/dbraw/zinc/27/20/79/558272079.db2.gz XZFPNGCMNKBQOV-IBGZPJMESA-N 1 0 407.533 5.555 50 0 HKAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719612 558272062 /nfs/dbraw/zinc/27/20/62/558272062.db2.gz XZFPNGCMNKBQOV-LJQANCHMSA-N 1 0 407.533 5.555 50 0 HKAARO C[C@@H](CC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1)c1ccccc1 ZINC000011754194 558273188 /nfs/dbraw/zinc/27/31/88/558273188.db2.gz ADKMKAQCGUIETH-IBGZPJMESA-N 1 0 419.594 5.654 50 0 HKAARO C[C@H](CC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1)c1ccccc1 ZINC000011754195 558273170 /nfs/dbraw/zinc/27/31/70/558273170.db2.gz ADKMKAQCGUIETH-LJQANCHMSA-N 1 0 419.594 5.654 50 0 HKAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000011759430 558273095 /nfs/dbraw/zinc/27/30/95/558273095.db2.gz COZAYDWQYHOFMZ-UHFFFAOYSA-N 1 0 412.961 5.010 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000011765525 558273899 /nfs/dbraw/zinc/27/38/99/558273899.db2.gz HLPBEDGJJBVCHH-MRXNPFEDSA-N 1 0 406.979 5.349 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000011765533 558273911 /nfs/dbraw/zinc/27/39/11/558273911.db2.gz HLPBEDGJJBVCHH-INIZCTEOSA-N 1 0 406.979 5.349 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011769099 558274094 /nfs/dbraw/zinc/27/40/94/558274094.db2.gz ZRBVKUMGUJJNLJ-FQEVSTJZSA-N 1 0 420.578 5.583 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011769107 558274066 /nfs/dbraw/zinc/27/40/66/558274066.db2.gz ZRBVKUMGUJJNLJ-HXUWFJFHSA-N 1 0 420.578 5.583 50 0 HKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000011773597 558274499 /nfs/dbraw/zinc/27/44/99/558274499.db2.gz ANXUQOLQYQPOAI-UHFFFAOYSA-N 1 0 404.982 5.188 50 0 HKAARO c1[nH]nc(C2CC[NH+](Cc3cccc4c3OCO4)CC2)c1-c1ccc2ccccc2c1 ZINC000011785163 558275835 /nfs/dbraw/zinc/27/58/35/558275835.db2.gz VGAMUWVXXJXDQX-UHFFFAOYSA-N 1 0 411.505 5.338 50 0 HKAARO COc1cc(C[NH2+]Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)cc(OC)c1 ZINC000011786942 558276334 /nfs/dbraw/zinc/27/63/34/558276334.db2.gz FPTDMDOYGAGILO-UHFFFAOYSA-N 1 0 416.496 5.656 50 0 HKAARO CC(C)Cn1c2cc(F)ccc2cc(C[NH2+]C(c2ccccc2)c2ccccc2)c1=O ZINC000011787880 558276692 /nfs/dbraw/zinc/27/66/92/558276692.db2.gz XPBUODQQUKUASN-UHFFFAOYSA-N 1 0 414.524 5.676 50 0 HKAARO Cc1ccc2cc(C[N@H+]3CC=C(c4ccccc4)CC3)c(=O)n(Cc3ccccn3)c2c1 ZINC000011790503 558277493 /nfs/dbraw/zinc/27/74/93/558277493.db2.gz PIMKUAPWKDVWMR-UHFFFAOYSA-N 1 0 421.544 5.043 50 0 HKAARO Cc1ccc(C[NH2+]C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)o1 ZINC000011790717 132350738 /nfs/dbraw/zinc/35/07/38/132350738.db2.gz XVJKWTSMXMIPQH-UHFFFAOYSA-N 1 0 417.553 5.216 50 0 HKAARO O=C(CCC1CC[NH+](CCCC(F)(F)F)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011814876 558279066 /nfs/dbraw/zinc/27/90/66/558279066.db2.gz IRFJASZSEJMERD-UHFFFAOYSA-N 1 0 424.429 5.156 50 0 HKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccco3)cc2)CC1)C1CCCC1 ZINC000011817077 558280462 /nfs/dbraw/zinc/28/04/62/558280462.db2.gz ZFCKSASYXIEKGE-UHFFFAOYSA-N 1 0 418.541 5.109 50 0 HKAARO CSc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1 ZINC000011817176 558280455 /nfs/dbraw/zinc/28/04/55/558280455.db2.gz XATUUBKKLSEXER-UHFFFAOYSA-N 1 0 423.607 5.383 50 0 HKAARO COc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011817439 558280647 /nfs/dbraw/zinc/28/06/47/558280647.db2.gz VNCNGEVPYPBCNE-QHCPKHFHSA-N 1 0 407.602 5.137 50 0 HKAARO COc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011817440 558280554 /nfs/dbraw/zinc/28/05/54/558280554.db2.gz VNCNGEVPYPBCNE-HSZRJFAPSA-N 1 0 407.602 5.137 50 0 HKAARO Cc1nn(C)c(C)c1C[N@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000011817722 558280937 /nfs/dbraw/zinc/28/09/37/558280937.db2.gz LWRDBUKQXYVBDA-UHFFFAOYSA-N 1 0 411.553 5.259 50 0 HKAARO CSCCC[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000011817796 558280910 /nfs/dbraw/zinc/28/09/10/558280910.db2.gz HXDAUKPKBDQWEJ-UHFFFAOYSA-N 1 0 402.991 5.411 50 0 HKAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000011818156 558281580 /nfs/dbraw/zinc/28/15/80/558281580.db2.gz JCITUUNODJHEOB-UHFFFAOYSA-N 1 0 419.594 5.381 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cnn1-c1cccc(F)c1 ZINC000011819698 558283101 /nfs/dbraw/zinc/28/31/01/558283101.db2.gz OGTMJULSRKGKGA-CQSZACIVSA-N 1 0 409.896 5.214 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cnn1-c1cccc(F)c1 ZINC000011819699 558283106 /nfs/dbraw/zinc/28/31/06/558283106.db2.gz OGTMJULSRKGKGA-AWEZNQCLSA-N 1 0 409.896 5.214 50 0 HKAARO CC(C)c1csc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000011820742 558283917 /nfs/dbraw/zinc/28/39/17/558283917.db2.gz WBXOQOUHURINKA-UHFFFAOYSA-N 1 0 412.647 5.318 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820772 558284275 /nfs/dbraw/zinc/28/42/75/558284275.db2.gz BSAQGOUITYXYDT-OAQYLSRUSA-N 1 0 403.501 5.047 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820773 558284233 /nfs/dbraw/zinc/28/42/33/558284233.db2.gz BSAQGOUITYXYDT-NRFANRHFSA-N 1 0 403.501 5.047 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2CCCCC2)CC1 ZINC000011821491 559260539 /nfs/dbraw/zinc/26/05/39/559260539.db2.gz YJDRXEQQDCBYLB-UHFFFAOYSA-N 1 0 419.613 5.211 50 0 HKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)s1 ZINC000011821696 558284824 /nfs/dbraw/zinc/28/48/24/558284824.db2.gz PNJHAAQLPRCKAM-UHFFFAOYSA-N 1 0 407.539 5.095 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2cccn2-c2ccccn2)C1 ZINC000011821749 558284741 /nfs/dbraw/zinc/28/47/41/558284741.db2.gz PDDJSBCMBAVEOY-JOCHJYFZSA-N 1 0 415.516 5.000 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2cccn2-c2ccccn2)C1 ZINC000011821750 558285035 /nfs/dbraw/zinc/28/50/35/558285035.db2.gz PDDJSBCMBAVEOY-QFIPXVFZSA-N 1 0 415.516 5.000 50 0 HKAARO COc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821780 558285168 /nfs/dbraw/zinc/28/51/68/558285168.db2.gz BUSGJHQEEWNPMG-DEOSSOPVSA-N 1 0 407.602 5.137 50 0 HKAARO COc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821781 558285043 /nfs/dbraw/zinc/28/50/43/558285043.db2.gz BUSGJHQEEWNPMG-XMMPIXPASA-N 1 0 407.602 5.137 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCC2(C)CC2)CC1 ZINC000011821855 558285163 /nfs/dbraw/zinc/28/51/63/558285163.db2.gz PVDUXBKWOWHOAS-UHFFFAOYSA-N 1 0 419.613 5.211 50 0 HKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000011822184 558285331 /nfs/dbraw/zinc/28/53/31/558285331.db2.gz OGLUGYMQCJDCNR-UHFFFAOYSA-N 1 0 415.537 5.157 50 0 HKAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1)C1CCCC1 ZINC000011839268 132351354 /nfs/dbraw/zinc/35/13/54/132351354.db2.gz YUQYVLYIMLDOTA-UHFFFAOYSA-N 1 0 411.977 5.227 50 0 HKAARO CC(C)c1csc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)n1 ZINC000011841304 558286935 /nfs/dbraw/zinc/28/69/35/558286935.db2.gz HBOMXSOBYPCCJF-UHFFFAOYSA-N 1 0 420.022 5.229 50 0 HKAARO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl ZINC000011841378 558286953 /nfs/dbraw/zinc/28/69/53/558286953.db2.gz BPNZVQKZOBUSKT-RMKNXTFCSA-N 1 0 420.944 5.139 50 0 HKAARO Cc1ccc(C)c(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1 ZINC000011842157 558287526 /nfs/dbraw/zinc/28/75/26/558287526.db2.gz SUCGNJQTTWTERN-UHFFFAOYSA-N 1 0 422.960 5.243 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000011842219 558287529 /nfs/dbraw/zinc/28/75/29/558287529.db2.gz ZTUBOMBDUIGPQL-UHFFFAOYSA-N 1 0 406.551 5.274 50 0 HKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000011843135 558288135 /nfs/dbraw/zinc/28/81/35/558288135.db2.gz FEAHEZUVMDIWPN-VMPITWQZSA-N 1 0 403.551 5.174 50 0 HKAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1 ZINC000011843681 558288527 /nfs/dbraw/zinc/28/85/27/558288527.db2.gz FOQQTCAYCZAHAV-UHFFFAOYSA-N 1 0 420.582 5.003 50 0 HKAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843798 558288496 /nfs/dbraw/zinc/28/84/96/558288496.db2.gz MBUOMMBMPPBSAH-HXUWFJFHSA-N 1 0 411.549 5.272 50 0 HKAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843799 558288482 /nfs/dbraw/zinc/28/84/82/558288482.db2.gz MBUOMMBMPPBSAH-FQEVSTJZSA-N 1 0 411.549 5.272 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000011843854 558288882 /nfs/dbraw/zinc/28/88/82/558288882.db2.gz WLQKDTPCGQCODL-JOCHJYFZSA-N 1 0 400.522 5.213 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000011843855 558288758 /nfs/dbraw/zinc/28/87/58/558288758.db2.gz WLQKDTPCGQCODL-QFIPXVFZSA-N 1 0 400.522 5.213 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1)Nc1ccccc1F ZINC000011873346 558291105 /nfs/dbraw/zinc/29/11/05/558291105.db2.gz GNMOGLDYEZGGKG-LJQANCHMSA-N 1 0 406.501 5.717 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1)Nc1ccccc1F ZINC000011873347 558291262 /nfs/dbraw/zinc/29/12/62/558291262.db2.gz GNMOGLDYEZGGKG-IBGZPJMESA-N 1 0 406.501 5.717 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873394 558291135 /nfs/dbraw/zinc/29/11/35/558291135.db2.gz UENUVFGZWNCBSR-SFHVURJKSA-N 1 0 407.480 5.195 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873395 558291150 /nfs/dbraw/zinc/29/11/50/558291150.db2.gz UENUVFGZWNCBSR-GOSISDBHSA-N 1 0 407.480 5.195 50 0 HKAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878237 558292369 /nfs/dbraw/zinc/29/23/69/558292369.db2.gz HKIUVCPWLWQNIX-SFHVURJKSA-N 1 0 423.532 5.255 50 0 HKAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878238 558292472 /nfs/dbraw/zinc/29/24/72/558292472.db2.gz HKIUVCPWLWQNIX-GOSISDBHSA-N 1 0 423.532 5.255 50 0 HKAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878765 558293256 /nfs/dbraw/zinc/29/32/56/558293256.db2.gz DGMZCTVMWCETAL-JOCHJYFZSA-N 1 0 423.516 5.517 50 0 HKAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878766 558293385 /nfs/dbraw/zinc/29/33/85/558293385.db2.gz DGMZCTVMWCETAL-QFIPXVFZSA-N 1 0 423.516 5.517 50 0 HKAARO O=C(CCC1CC[NH+](Cc2cccc(F)c2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011879642 558294288 /nfs/dbraw/zinc/29/42/88/558294288.db2.gz NGPIVWDRFSUAMP-UHFFFAOYSA-N 1 0 422.466 5.153 50 0 HKAARO COc1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)ccc1F ZINC000011879959 558294445 /nfs/dbraw/zinc/29/44/45/558294445.db2.gz WTMGIZAWVTUPOM-UHFFFAOYSA-N 1 0 404.913 5.119 50 0 HKAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905404 558296137 /nfs/dbraw/zinc/29/61/37/558296137.db2.gz DZZIDJBXEYSMCT-JOCHJYFZSA-N 1 0 423.944 5.342 50 0 HKAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905406 558296053 /nfs/dbraw/zinc/29/60/53/558296053.db2.gz DZZIDJBXEYSMCT-QFIPXVFZSA-N 1 0 423.944 5.342 50 0 HKAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)cc1O ZINC000011911983 558297076 /nfs/dbraw/zinc/29/70/76/558297076.db2.gz XEOKTDNDIKXNPQ-UHFFFAOYSA-N 1 0 413.521 5.324 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000011915580 559267789 /nfs/dbraw/zinc/26/77/89/559267789.db2.gz BJVAAFNQSAQLRF-HSZRJFAPSA-N 1 0 420.553 5.405 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000011915582 559267769 /nfs/dbraw/zinc/26/77/69/559267769.db2.gz BJVAAFNQSAQLRF-QHCPKHFHSA-N 1 0 420.553 5.405 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 ZINC000011932963 558297890 /nfs/dbraw/zinc/29/78/90/558297890.db2.gz AAHREYIIXMLPHO-UHFFFAOYSA-N 1 0 416.569 5.038 50 0 HKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000011933133 558297873 /nfs/dbraw/zinc/29/78/73/558297873.db2.gz ABNMZNNIXXMZGZ-UHFFFAOYSA-N 1 0 421.928 5.378 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011933310 558298219 /nfs/dbraw/zinc/29/82/19/558298219.db2.gz OKIWDFYJCWQTCA-IBGZPJMESA-N 1 0 400.950 5.022 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011933311 558298221 /nfs/dbraw/zinc/29/82/21/558298221.db2.gz OKIWDFYJCWQTCA-LJQANCHMSA-N 1 0 400.950 5.022 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC000011933864 558298245 /nfs/dbraw/zinc/29/82/45/558298245.db2.gz MZFXUUWCZNITKB-OAQYLSRUSA-N 1 0 418.512 5.352 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC000011933865 558298263 /nfs/dbraw/zinc/29/82/63/558298263.db2.gz MZFXUUWCZNITKB-NRFANRHFSA-N 1 0 418.512 5.352 50 0 HKAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cccc(-c2ccco2)c1 ZINC000011934310 558298552 /nfs/dbraw/zinc/29/85/52/558298552.db2.gz WKQISXUETIQMLF-UHFFFAOYSA-N 1 0 420.528 5.112 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935399 558299508 /nfs/dbraw/zinc/29/95/08/558299508.db2.gz JFIDVALOTPEFJZ-SFHVURJKSA-N 1 0 412.553 5.227 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935400 558299513 /nfs/dbraw/zinc/29/95/13/558299513.db2.gz JFIDVALOTPEFJZ-GOSISDBHSA-N 1 0 412.553 5.227 50 0 HKAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)n1 ZINC000011937119 558301043 /nfs/dbraw/zinc/30/10/43/558301043.db2.gz UBQYQIZWDQKQGD-UHFFFAOYSA-N 1 0 424.548 5.389 50 0 HKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000011937489 558301067 /nfs/dbraw/zinc/30/10/67/558301067.db2.gz WQQUZWYULHQVRF-UHFFFAOYSA-N 1 0 410.521 5.081 50 0 HKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000011937723 558301376 /nfs/dbraw/zinc/30/13/76/558301376.db2.gz JWJXQLGROHUBJY-LJQANCHMSA-N 1 0 421.928 5.378 50 0 HKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000011937724 558301285 /nfs/dbraw/zinc/30/12/85/558301285.db2.gz JWJXQLGROHUBJY-IBGZPJMESA-N 1 0 421.928 5.378 50 0 HKAARO Fc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1F ZINC000011937928 558301259 /nfs/dbraw/zinc/30/12/59/558301259.db2.gz QFZDDLVRXWQXBR-NRFANRHFSA-N 1 0 413.556 5.407 50 0 HKAARO Fc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1F ZINC000011937929 558301312 /nfs/dbraw/zinc/30/13/12/558301312.db2.gz QFZDDLVRXWQXBR-OAQYLSRUSA-N 1 0 413.556 5.407 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](CCC(=O)NC4CC4)C3)ccc21 ZINC000011938153 558301530 /nfs/dbraw/zinc/30/15/30/558301530.db2.gz MXRSHIYZNTUGLF-IBGZPJMESA-N 1 0 403.570 5.085 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](CCC(=O)NC4CC4)C3)ccc21 ZINC000011938154 558301569 /nfs/dbraw/zinc/30/15/69/558301569.db2.gz MXRSHIYZNTUGLF-LJQANCHMSA-N 1 0 403.570 5.085 50 0 HKAARO COc1ccc(-n2cc(C[NH2+]Cc3cccc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011938157 558301538 /nfs/dbraw/zinc/30/15/38/558301538.db2.gz XZTPMIQBGQCKLR-UHFFFAOYSA-N 1 0 418.928 5.195 50 0 HKAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)n1 ZINC000011938408 558301867 /nfs/dbraw/zinc/30/18/67/558301867.db2.gz ARJLQVKUIGZUSD-UHFFFAOYSA-N 1 0 403.501 5.047 50 0 HKAARO C[C@@H](C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000011944955 558302038 /nfs/dbraw/zinc/30/20/38/558302038.db2.gz RGLLOWQRRCGTIA-SFHVURJKSA-N 1 0 422.960 5.229 50 0 HKAARO C[C@H](C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000011944964 558302190 /nfs/dbraw/zinc/30/21/90/558302190.db2.gz RGLLOWQRRCGTIA-GOSISDBHSA-N 1 0 422.960 5.229 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000011946273 558302057 /nfs/dbraw/zinc/30/20/57/558302057.db2.gz SEAHKCRBQGQRFS-UHFFFAOYSA-N 1 0 414.549 5.521 50 0 HKAARO CC(C)c1csc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000011948381 559268788 /nfs/dbraw/zinc/26/87/88/559268788.db2.gz VGBIFKBQILOEOS-UHFFFAOYSA-N 1 0 405.995 5.551 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000011951604 558303066 /nfs/dbraw/zinc/30/30/66/558303066.db2.gz VNZMTMVXPOZNHO-UHFFFAOYSA-N 1 0 414.549 5.255 50 0 HKAARO O=C(c1ccccc1OC1CC[NH+](Cc2cc3ccccc3o2)CC1)N1CCCCC1 ZINC000011953281 558303288 /nfs/dbraw/zinc/30/32/88/558303288.db2.gz PFACZDVMJYNBIX-UHFFFAOYSA-N 1 0 418.537 5.102 50 0 HKAARO COc1ccc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1C ZINC000011953545 558303341 /nfs/dbraw/zinc/30/33/41/558303341.db2.gz SRRCXGKWCOBGGH-UHFFFAOYSA-N 1 0 421.503 5.148 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953674 558303270 /nfs/dbraw/zinc/30/32/70/558303270.db2.gz REEZGRCYMGNAPZ-INIZCTEOSA-N 1 0 408.439 5.475 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953682 558303245 /nfs/dbraw/zinc/30/32/45/558303245.db2.gz REEZGRCYMGNAPZ-MRXNPFEDSA-N 1 0 408.439 5.475 50 0 HKAARO CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)c1C ZINC000011958678 558303777 /nfs/dbraw/zinc/30/37/77/558303777.db2.gz LWTFARVDRMWFTN-UHFFFAOYSA-N 1 0 413.569 5.279 50 0 HKAARO COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000011964660 558304002 /nfs/dbraw/zinc/30/40/02/558304002.db2.gz BXVTYCBIXHTDEN-QFIPXVFZSA-N 1 0 406.570 5.135 50 0 HKAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000011964662 558304042 /nfs/dbraw/zinc/30/40/42/558304042.db2.gz BXVTYCBIXHTDEN-JOCHJYFZSA-N 1 0 406.570 5.135 50 0 HKAARO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)o1 ZINC000011974767 559269722 /nfs/dbraw/zinc/26/97/22/559269722.db2.gz MXIYQQCPAQAKSL-LJQANCHMSA-N 1 0 409.555 5.001 50 0 HKAARO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)o1 ZINC000011974772 559269729 /nfs/dbraw/zinc/26/97/29/559269729.db2.gz MXIYQQCPAQAKSL-IBGZPJMESA-N 1 0 409.555 5.001 50 0 HKAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000011980444 558306112 /nfs/dbraw/zinc/30/61/12/558306112.db2.gz WFVBRGZIYXNXMR-OAQYLSRUSA-N 1 0 420.519 5.314 50 0 HKAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000011980449 558306162 /nfs/dbraw/zinc/30/61/62/558306162.db2.gz WFVBRGZIYXNXMR-NRFANRHFSA-N 1 0 420.519 5.314 50 0 HKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]C(C4CC4)C4CC4)CC3)cc2)c(C)c1 ZINC000011983073 132352811 /nfs/dbraw/zinc/35/28/11/132352811.db2.gz NCKQCFOTCBPOKF-UHFFFAOYSA-N 1 0 417.597 5.303 50 0 HKAARO CSc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2cc4ccccc4o2)CC3)cc1 ZINC000011995744 558306593 /nfs/dbraw/zinc/30/65/93/558306593.db2.gz CDJVKTSVBOVXRX-NRFANRHFSA-N 1 0 406.551 5.396 50 0 HKAARO CSc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2cc4ccccc4o2)CC3)cc1 ZINC000011995745 558306673 /nfs/dbraw/zinc/30/66/73/558306673.db2.gz CDJVKTSVBOVXRX-OAQYLSRUSA-N 1 0 406.551 5.396 50 0 HKAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(OC)c4ccccc34)c2C)cc1 ZINC000011998251 558307462 /nfs/dbraw/zinc/30/74/62/558307462.db2.gz QTWGNFKCFSXUCD-QGZVFWFLSA-N 1 0 401.510 5.202 50 0 HKAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(OC)c4ccccc34)c2C)cc1 ZINC000011998253 558307457 /nfs/dbraw/zinc/30/74/57/558307457.db2.gz QTWGNFKCFSXUCD-KRWDZBQOSA-N 1 0 401.510 5.202 50 0 HKAARO COc1cccc(-c2nc(C[N@H+](C)C[C@@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998805 558307642 /nfs/dbraw/zinc/30/76/42/558307642.db2.gz HQBBSIBPHRUIKH-AREMUKBSSA-N 1 0 420.553 5.467 50 0 HKAARO COc1cccc(-c2nc(C[N@H+](C)C[C@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998808 558307711 /nfs/dbraw/zinc/30/77/11/558307711.db2.gz HQBBSIBPHRUIKH-SANMLTNESA-N 1 0 420.553 5.467 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001113 558308426 /nfs/dbraw/zinc/30/84/26/558308426.db2.gz DAYFCHOHLHLMRW-INIZCTEOSA-N 1 0 408.439 5.475 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001118 558308387 /nfs/dbraw/zinc/30/83/87/558308387.db2.gz DAYFCHOHLHLMRW-MRXNPFEDSA-N 1 0 408.439 5.475 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000012024353 558310033 /nfs/dbraw/zinc/31/00/33/558310033.db2.gz GIVPZGWYSFVQSI-HSZRJFAPSA-N 1 0 415.516 5.000 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000012024359 558310046 /nfs/dbraw/zinc/31/00/46/558310046.db2.gz GIVPZGWYSFVQSI-QHCPKHFHSA-N 1 0 415.516 5.000 50 0 HKAARO CCOc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC ZINC000012025472 558310006 /nfs/dbraw/zinc/31/00/06/558310006.db2.gz NIYSBEXFQZOVLJ-JOCHJYFZSA-N 1 0 405.542 5.064 50 0 HKAARO CCOc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC ZINC000012025475 558309948 /nfs/dbraw/zinc/30/99/48/558309948.db2.gz NIYSBEXFQZOVLJ-QFIPXVFZSA-N 1 0 405.542 5.064 50 0 HKAARO COc1ccc2cc(C[NH2+]Cc3cc(OC)cc(OC)c3)c(-c3ccsc3)nc2c1 ZINC000012028386 558310694 /nfs/dbraw/zinc/31/06/94/558310694.db2.gz NPTIUFHVRPTQSE-UHFFFAOYSA-N 1 0 420.534 5.279 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000012031669 558311440 /nfs/dbraw/zinc/31/14/40/558311440.db2.gz SDUQZNYFIVZBNB-UHFFFAOYSA-N 1 0 414.549 5.521 50 0 HKAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000012042319 558313113 /nfs/dbraw/zinc/31/31/13/558313113.db2.gz UEOWGHJRSRMEDM-VWLOTQADSA-N 1 0 402.582 5.449 50 0 HKAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000012042322 558313087 /nfs/dbraw/zinc/31/30/87/558313087.db2.gz UEOWGHJRSRMEDM-RUZDIDTESA-N 1 0 402.582 5.449 50 0 HKAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049590 558313474 /nfs/dbraw/zinc/31/34/74/558313474.db2.gz OFRGNRVUFGMPSQ-SFHVURJKSA-N 1 0 400.950 5.215 50 0 HKAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049597 558313521 /nfs/dbraw/zinc/31/35/21/558313521.db2.gz OFRGNRVUFGMPSQ-GOSISDBHSA-N 1 0 400.950 5.215 50 0 HKAARO CSc1cccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012050751 558314125 /nfs/dbraw/zinc/31/41/25/558314125.db2.gz PXUHUVDHXUFSKD-UHFFFAOYSA-N 1 0 402.991 5.693 50 0 HKAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050915 558314062 /nfs/dbraw/zinc/31/40/62/558314062.db2.gz GLBFPGIAYRBDLM-DEOSSOPVSA-N 1 0 417.553 5.198 50 0 HKAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050919 558314100 /nfs/dbraw/zinc/31/41/00/558314100.db2.gz GLBFPGIAYRBDLM-XMMPIXPASA-N 1 0 417.553 5.198 50 0 HKAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC1)=CC2 ZINC000012055534 558315656 /nfs/dbraw/zinc/31/56/56/558315656.db2.gz XBESVSSIHASPPQ-UNMCSNQZSA-N 1 0 421.610 5.453 50 0 HKAARO COCC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012073035 558318278 /nfs/dbraw/zinc/31/82/78/558318278.db2.gz DVVMTXGLVWUGGB-UHFFFAOYSA-N 1 0 415.537 5.203 50 0 HKAARO COc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(F)c1 ZINC000012073380 558318423 /nfs/dbraw/zinc/31/84/23/558318423.db2.gz PWPSPQBRRHUCGT-UHFFFAOYSA-N 1 0 404.913 5.119 50 0 HKAARO COc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1OC ZINC000012073806 558318709 /nfs/dbraw/zinc/31/87/09/558318709.db2.gz XQHUDXPOXVLTQF-OAQYLSRUSA-N 1 0 405.542 5.001 50 0 HKAARO COc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1OC ZINC000012073808 558318624 /nfs/dbraw/zinc/31/86/24/558318624.db2.gz XQHUDXPOXVLTQF-NRFANRHFSA-N 1 0 405.542 5.001 50 0 HKAARO Cc1ccoc1C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012073917 558318712 /nfs/dbraw/zinc/31/87/12/558318712.db2.gz WKMGPDATTGEYBW-UHFFFAOYSA-N 1 0 408.586 5.236 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)cnn1-c1cccc(F)c1 ZINC000012074229 558318858 /nfs/dbraw/zinc/31/88/58/558318858.db2.gz CPCSKGAUPDMUJV-OAHLLOKOSA-N 1 0 409.896 5.010 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)cnn1-c1cccc(F)c1 ZINC000012074231 558318886 /nfs/dbraw/zinc/31/88/86/558318886.db2.gz CPCSKGAUPDMUJV-HNNXBMFYSA-N 1 0 409.896 5.010 50 0 HKAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012074909 558319443 /nfs/dbraw/zinc/31/94/43/558319443.db2.gz LFLXIFDCGKCJMS-OAQYLSRUSA-N 1 0 411.542 5.051 50 0 HKAARO CCc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)nc1 ZINC000012075263 558319479 /nfs/dbraw/zinc/31/94/79/558319479.db2.gz KVXNSMJIQAAJFL-UHFFFAOYSA-N 1 0 418.491 5.373 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)c(OC)c1C ZINC000012076003 558319659 /nfs/dbraw/zinc/31/96/59/558319659.db2.gz HFKVQXUGSVPOEV-UHFFFAOYSA-N 1 0 406.526 5.388 50 0 HKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccsc2)CC1)N1CCCCC1 ZINC000012076201 558319845 /nfs/dbraw/zinc/31/98/45/558319845.db2.gz XBJJPSVFIRVLRK-UHFFFAOYSA-N 1 0 418.990 5.071 50 0 HKAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076615 558320156 /nfs/dbraw/zinc/32/01/56/558320156.db2.gz PSBWRIWYDCBQRV-AWEZNQCLSA-N 1 0 404.988 5.258 50 0 HKAARO O=C(NC[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076617 558320104 /nfs/dbraw/zinc/32/01/04/558320104.db2.gz PSBWRIWYDCBQRV-CQSZACIVSA-N 1 0 404.988 5.258 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012092153 558324460 /nfs/dbraw/zinc/32/44/60/558324460.db2.gz XNVJHQALLLZUHN-UHFFFAOYSA-N 1 0 414.549 5.521 50 0 HKAARO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@H+](CC(C)C)C2 ZINC000012098351 560889031 /nfs/dbraw/zinc/88/90/31/560889031.db2.gz SJZUKWBDIXQDGA-UHFFFAOYSA-N 1 0 414.855 5.280 50 0 HKAARO O=C(Nc1cccc(F)c1)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000012098997 558325528 /nfs/dbraw/zinc/32/55/28/558325528.db2.gz DZZTUKYFNHSZHT-QFIPXVFZSA-N 1 0 404.485 5.327 50 0 HKAARO O=C(Nc1cccc(F)c1)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000012098998 558325543 /nfs/dbraw/zinc/32/55/43/558325543.db2.gz DZZTUKYFNHSZHT-JOCHJYFZSA-N 1 0 404.485 5.327 50 0 HKAARO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@@H+](C(C)C)C2 ZINC000012099102 558325610 /nfs/dbraw/zinc/32/56/10/558325610.db2.gz XVTHIBKUYFDVKU-UHFFFAOYSA-N 1 0 400.828 5.032 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(C)cc2s1 ZINC000012140838 560890333 /nfs/dbraw/zinc/89/03/33/560890333.db2.gz FZNXUYRPMOFBSH-UHFFFAOYSA-N 1 0 424.595 5.203 50 0 HKAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000012140961 560890422 /nfs/dbraw/zinc/89/04/22/560890422.db2.gz GKEFTZUUKUJWGH-UHFFFAOYSA-N 1 0 424.595 5.067 50 0 HKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Cl)s3)nc21 ZINC000012140984 560890413 /nfs/dbraw/zinc/89/04/13/560890413.db2.gz GVGSCLMVFQHMRD-UHFFFAOYSA-N 1 0 423.991 5.008 50 0 HKAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(Cl)cc2)N1Cc1cccc(C(F)(F)F)c1 ZINC000012149312 558338514 /nfs/dbraw/zinc/33/85/14/558338514.db2.gz WKMYOSDVORSWDN-LJQANCHMSA-N 1 0 410.867 5.030 50 0 HKAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(Cl)cc2)N1Cc1cccc(C(F)(F)F)c1 ZINC000012149313 558338596 /nfs/dbraw/zinc/33/85/96/558338596.db2.gz WKMYOSDVORSWDN-IBGZPJMESA-N 1 0 410.867 5.030 50 0 HKAARO COc1ccc(CN2C(=O)CC[C@@H]3C[N@@H+](CCC4=C(C)CCCC4(C)C)CC[C@@H]32)cc1 ZINC000012150209 558338950 /nfs/dbraw/zinc/33/89/50/558338950.db2.gz CRGLUKXLFIFYGA-RDGATRHJSA-N 1 0 424.629 5.425 50 0 HKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+][C@@H]2CCCc3ccccc32)OCO4)cs1 ZINC000012152558 560890403 /nfs/dbraw/zinc/89/04/03/560890403.db2.gz ZSWOMVGKVDRKQD-OAQYLSRUSA-N 1 0 414.530 5.859 50 0 HKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+][C@H]2CCCc3ccccc32)OCO4)cs1 ZINC000012152559 560890419 /nfs/dbraw/zinc/89/04/19/560890419.db2.gz ZSWOMVGKVDRKQD-NRFANRHFSA-N 1 0 414.530 5.859 50 0 HKAARO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000012161089 560890614 /nfs/dbraw/zinc/89/06/14/560890614.db2.gz JADHVJMOVYSPGN-DENIHFKCSA-N 1 0 400.570 5.740 50 0 HKAARO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000012161095 560890611 /nfs/dbraw/zinc/89/06/11/560890611.db2.gz JADHVJMOVYSPGN-SIKLNZKXSA-N 1 0 400.570 5.740 50 0 HKAARO COc1ccc(CC[NH2+]Cc2cc3ccc(SC)cc3nc2-c2cccs2)cc1 ZINC000012164821 558342246 /nfs/dbraw/zinc/34/22/46/558342246.db2.gz MBLIGVYJMPIXBY-UHFFFAOYSA-N 1 0 420.603 6.026 50 0 HKAARO O=C(Nc1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1)c1ccccc1F ZINC000012190071 132356211 /nfs/dbraw/zinc/35/62/11/132356211.db2.gz VUHWOOGSJLAOJT-UHFFFAOYSA-N 1 0 421.560 5.527 50 0 HKAARO Cc1ccc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)cn1 ZINC000012192060 560891510 /nfs/dbraw/zinc/89/15/10/560891510.db2.gz XXUACAZJJKGLDX-UHFFFAOYSA-N 1 0 419.613 5.038 50 0 HKAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012193061 558348389 /nfs/dbraw/zinc/34/83/89/558348389.db2.gz QIJFNRYFRMLUDJ-UHFFFAOYSA-N 1 0 417.532 5.001 50 0 HKAARO COc1ccc(-c2nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(F)c1 ZINC000012195031 558349159 /nfs/dbraw/zinc/34/91/59/558349159.db2.gz XJHGZJDXTORAQC-UHFFFAOYSA-N 1 0 404.485 5.358 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000012196982 558349981 /nfs/dbraw/zinc/34/99/81/558349981.db2.gz DBAIOLJUIWOJHS-XMMPIXPASA-N 1 0 420.572 5.056 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000012196988 558349990 /nfs/dbraw/zinc/34/99/90/558349990.db2.gz DBAIOLJUIWOJHS-DEOSSOPVSA-N 1 0 420.572 5.056 50 0 HKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000012198071 558350598 /nfs/dbraw/zinc/35/05/98/558350598.db2.gz RUEJTNMAIKNFPD-UHFFFAOYSA-N 1 0 410.514 5.530 50 0 HKAARO C[C@@H](C[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1)c1ccccc1 ZINC000012198252 558350527 /nfs/dbraw/zinc/35/05/27/558350527.db2.gz DFZMZHBCZWSSBL-SFHVURJKSA-N 1 0 405.567 5.264 50 0 HKAARO C[C@H](C[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1)c1ccccc1 ZINC000012198261 558350577 /nfs/dbraw/zinc/35/05/77/558350577.db2.gz DFZMZHBCZWSSBL-GOSISDBHSA-N 1 0 405.567 5.264 50 0 HKAARO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CCC(=O)Nc2cccc(C)c2)CC1 ZINC000012200047 558351093 /nfs/dbraw/zinc/35/10/93/558351093.db2.gz UAQRMVIRWTYEGP-UHFFFAOYSA-N 1 0 423.582 5.651 50 0 HKAARO Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4-c3ccccn3)o2)cc1 ZINC000012202211 558351827 /nfs/dbraw/zinc/35/18/27/558351827.db2.gz KHGMKINDJVTOTE-HXUWFJFHSA-N 1 0 404.901 5.348 50 0 HKAARO Clc1ccc(-c2ccc(C[NH2+][C@H]3CCCc4c3cnn4-c3ccccn3)o2)cc1 ZINC000012202218 558351770 /nfs/dbraw/zinc/35/17/70/558351770.db2.gz KHGMKINDJVTOTE-FQEVSTJZSA-N 1 0 404.901 5.348 50 0 HKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012203871 558351990 /nfs/dbraw/zinc/35/19/90/558351990.db2.gz IBLOTLDTOFEIOF-UHFFFAOYSA-N 1 0 405.929 5.253 50 0 HKAARO CCOc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1OC ZINC000012204989 558352430 /nfs/dbraw/zinc/35/24/30/558352430.db2.gz VXTUMMFUJQURFW-OAQYLSRUSA-N 1 0 405.542 5.064 50 0 HKAARO CCOc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1OC ZINC000012204993 558352581 /nfs/dbraw/zinc/35/25/81/558352581.db2.gz VXTUMMFUJQURFW-NRFANRHFSA-N 1 0 405.542 5.064 50 0 HKAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012207781 560891896 /nfs/dbraw/zinc/89/18/96/560891896.db2.gz HUFYFKFRFSNPHP-UHFFFAOYSA-N 1 0 423.948 5.326 50 0 HKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000012209988 558353736 /nfs/dbraw/zinc/35/37/36/558353736.db2.gz CBPNDLQNMQDRAC-OAQYLSRUSA-N 1 0 400.526 5.445 50 0 HKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000012209995 558353809 /nfs/dbraw/zinc/35/38/09/558353809.db2.gz CBPNDLQNMQDRAC-NRFANRHFSA-N 1 0 400.526 5.445 50 0 HKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC000012210555 558354140 /nfs/dbraw/zinc/35/41/40/558354140.db2.gz CDZJSAWNTQTAPC-FQEVSTJZSA-N 1 0 424.589 5.163 50 0 HKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC000012210561 524360426 /nfs/dbraw/zinc/36/04/26/524360426.db2.gz CDZJSAWNTQTAPC-HXUWFJFHSA-N 1 0 424.589 5.163 50 0 HKAARO CSc1ccc2cc(C[NH2+][C@@H]3CCOC3)c(OCc3ccccc3Cl)nc2c1 ZINC000012217508 558354285 /nfs/dbraw/zinc/35/42/85/558354285.db2.gz LBUMBEZGIIYPBD-GOSISDBHSA-N 1 0 414.958 5.068 50 0 HKAARO CSc1ccc2cc(C[NH2+][C@H]3CCOC3)c(OCc3ccccc3Cl)nc2c1 ZINC000012217509 558354303 /nfs/dbraw/zinc/35/43/03/558354303.db2.gz LBUMBEZGIIYPBD-SFHVURJKSA-N 1 0 414.958 5.068 50 0 HKAARO CC1(C)C[C@@H](C[NH+]2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)CCO1 ZINC000012223689 558356811 /nfs/dbraw/zinc/35/68/11/558356811.db2.gz BADLQIGWBVNWQW-KRWDZBQOSA-N 1 0 410.961 5.115 50 0 HKAARO CC1(C)C[C@H](C[NH+]2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)CCO1 ZINC000012223692 558356848 /nfs/dbraw/zinc/35/68/48/558356848.db2.gz BADLQIGWBVNWQW-QGZVFWFLSA-N 1 0 410.961 5.115 50 0 HKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000012247628 558362066 /nfs/dbraw/zinc/36/20/66/558362066.db2.gz KCCRZGWTJKVVSB-HXUWFJFHSA-N 1 0 422.594 5.680 50 0 HKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000012247629 558362083 /nfs/dbraw/zinc/36/20/83/558362083.db2.gz KCCRZGWTJKVVSB-FQEVSTJZSA-N 1 0 422.594 5.680 50 0 HKAARO Cc1ccc2c(c1)cc(C[NH2+]Cc1cccs1)c(=O)n2Cc1ccccc1Cl ZINC000012279250 558364832 /nfs/dbraw/zinc/36/48/32/558364832.db2.gz SDDAGPFUNAHDJA-UHFFFAOYSA-N 1 0 408.954 5.363 50 0 HKAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000012299321 558369201 /nfs/dbraw/zinc/36/92/01/558369201.db2.gz VUJMMHAXKIRLOG-HXUWFJFHSA-N 1 0 419.532 5.780 50 0 HKAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000012299322 558369156 /nfs/dbraw/zinc/36/91/56/558369156.db2.gz VUJMMHAXKIRLOG-FQEVSTJZSA-N 1 0 419.532 5.780 50 0 HKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000012299540 558369539 /nfs/dbraw/zinc/36/95/39/558369539.db2.gz IHPKQVOMDDPVHF-UHFFFAOYSA-N 1 0 420.484 5.174 50 0 HKAARO CN(Cc1ccco1)C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012300931 568464560 /nfs/dbraw/zinc/46/45/60/568464560.db2.gz XGTJKLDRYBEMSE-UHFFFAOYSA-N 1 0 418.965 5.095 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012301016 558370661 /nfs/dbraw/zinc/37/06/61/558370661.db2.gz MLBCRRGJFPBSNC-IBGZPJMESA-N 1 0 414.553 5.237 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012301018 558370567 /nfs/dbraw/zinc/37/05/67/558370567.db2.gz MLBCRRGJFPBSNC-LJQANCHMSA-N 1 0 414.553 5.237 50 0 HKAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012302082 558371739 /nfs/dbraw/zinc/37/17/39/558371739.db2.gz LLIRLWQHYZEYMA-GOSISDBHSA-N 1 0 421.566 5.133 50 0 HKAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012302083 558371879 /nfs/dbraw/zinc/37/18/79/558371879.db2.gz LLIRLWQHYZEYMA-SFHVURJKSA-N 1 0 421.566 5.133 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC000012302211 558371844 /nfs/dbraw/zinc/37/18/44/558371844.db2.gz RTYPYEYZLXZOTG-UHFFFAOYSA-N 1 0 420.597 6.126 50 0 HKAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012302997 558372571 /nfs/dbraw/zinc/37/25/71/558372571.db2.gz CNYZBPWQEMXYSR-UHFFFAOYSA-N 1 0 410.521 5.081 50 0 HKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000012303608 558373020 /nfs/dbraw/zinc/37/30/20/558373020.db2.gz UUSRMAHYNDNYBW-UHFFFAOYSA-N 1 0 404.485 5.049 50 0 HKAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)CC2)c1 ZINC000012304905 132358243 /nfs/dbraw/zinc/35/82/43/132358243.db2.gz NGLQOVXGPJECKD-NRFANRHFSA-N 1 0 423.576 5.234 50 0 HKAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)CC2)c1 ZINC000012304907 132358260 /nfs/dbraw/zinc/35/82/60/132358260.db2.gz NGLQOVXGPJECKD-OAQYLSRUSA-N 1 0 423.576 5.234 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306087 558374942 /nfs/dbraw/zinc/37/49/42/558374942.db2.gz UCMNBRHOHXNBRN-JOCHJYFZSA-N 1 0 424.548 5.389 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306089 558374923 /nfs/dbraw/zinc/37/49/23/558374923.db2.gz UCMNBRHOHXNBRN-QFIPXVFZSA-N 1 0 424.548 5.389 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012306244 558375050 /nfs/dbraw/zinc/37/50/50/558375050.db2.gz UMBWRQCXTWLTDN-JOCHJYFZSA-N 1 0 415.516 5.205 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012306246 558374951 /nfs/dbraw/zinc/37/49/51/558374951.db2.gz UMBWRQCXTWLTDN-QFIPXVFZSA-N 1 0 415.516 5.205 50 0 HKAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1cccn1-c1ccccn1 ZINC000012307487 558376206 /nfs/dbraw/zinc/37/62/06/558376206.db2.gz RPCITCVJSRHDBW-QFIPXVFZSA-N 1 0 411.553 5.170 50 0 HKAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1cccn1-c1ccccn1 ZINC000012307488 558376172 /nfs/dbraw/zinc/37/61/72/558376172.db2.gz RPCITCVJSRHDBW-JOCHJYFZSA-N 1 0 411.553 5.170 50 0 HKAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3ccc4cccc(F)c4n3)CC2)c1 ZINC000012308191 558376374 /nfs/dbraw/zinc/37/63/74/558376374.db2.gz MAFMQEPVSFJKLD-UHFFFAOYSA-N 1 0 421.516 5.013 50 0 HKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012308370 558376725 /nfs/dbraw/zinc/37/67/25/558376725.db2.gz YTLASFUVSPSVAI-VMPITWQZSA-N 1 0 413.521 5.238 50 0 HKAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c1 ZINC000012308467 558376720 /nfs/dbraw/zinc/37/67/20/558376720.db2.gz BKPYDXZRLYIOSP-UHFFFAOYSA-N 1 0 401.510 5.033 50 0 HKAARO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000012308904 558376866 /nfs/dbraw/zinc/37/68/66/558376866.db2.gz UUMAUVSIEXCNHI-DEOSSOPVSA-N 1 0 407.602 5.137 50 0 HKAARO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000012308905 558376957 /nfs/dbraw/zinc/37/69/57/558376957.db2.gz UUMAUVSIEXCNHI-XMMPIXPASA-N 1 0 407.602 5.137 50 0 HKAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012314131 558377531 /nfs/dbraw/zinc/37/75/31/558377531.db2.gz BFINPUGSFIYCAF-FAZYEBOESA-N 1 0 403.551 5.174 50 0 HKAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012314132 558377865 /nfs/dbraw/zinc/37/78/65/558377865.db2.gz BFINPUGSFIYCAF-VPVJOJIASA-N 1 0 403.551 5.174 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2CCCC(F)(F)F)cc1 ZINC000012314248 558377860 /nfs/dbraw/zinc/37/78/60/558377860.db2.gz NDENYMAWDOWQKZ-FQEVSTJZSA-N 1 0 406.448 5.108 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2CCCC(F)(F)F)cc1 ZINC000012314249 558377731 /nfs/dbraw/zinc/37/77/31/558377731.db2.gz NDENYMAWDOWQKZ-HXUWFJFHSA-N 1 0 406.448 5.108 50 0 HKAARO CSc1cccc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012314915 558378306 /nfs/dbraw/zinc/37/83/06/558378306.db2.gz XASOOGGPNWVOCZ-UHFFFAOYSA-N 1 0 409.517 5.245 50 0 HKAARO CCn1c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315586 558378897 /nfs/dbraw/zinc/37/88/97/558378897.db2.gz FPIXIFDMVAIYBY-IBGZPJMESA-N 1 0 422.548 5.135 50 0 HKAARO CCn1c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315587 558378822 /nfs/dbraw/zinc/37/88/22/558378822.db2.gz FPIXIFDMVAIYBY-LJQANCHMSA-N 1 0 422.548 5.135 50 0 HKAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012316025 558379295 /nfs/dbraw/zinc/37/92/95/558379295.db2.gz VZJKGHNSDRLOOT-IBGZPJMESA-N 1 0 412.553 5.294 50 0 HKAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012316026 558379397 /nfs/dbraw/zinc/37/93/97/558379397.db2.gz VZJKGHNSDRLOOT-LJQANCHMSA-N 1 0 412.553 5.294 50 0 HKAARO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000012317073 558380544 /nfs/dbraw/zinc/38/05/44/558380544.db2.gz VLMAAQTXBQYKTQ-UHFFFAOYSA-N 1 0 420.532 5.155 50 0 HKAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317742 558381069 /nfs/dbraw/zinc/38/10/69/558381069.db2.gz ZNCLVLYUQDETTJ-QGZVFWFLSA-N 1 0 409.530 5.033 50 0 HKAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317743 558381136 /nfs/dbraw/zinc/38/11/36/558381136.db2.gz ZNCLVLYUQDETTJ-KRWDZBQOSA-N 1 0 409.530 5.033 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cccs2)CC1 ZINC000012318206 558381487 /nfs/dbraw/zinc/38/14/87/558381487.db2.gz ZJRLVVHBUMMIDD-UHFFFAOYSA-N 1 0 419.594 5.006 50 0 HKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1 ZINC000012320167 558381996 /nfs/dbraw/zinc/38/19/96/558381996.db2.gz BINDTEXZTDVHQV-UHFFFAOYSA-N 1 0 401.510 5.033 50 0 HKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012320694 558382561 /nfs/dbraw/zinc/38/25/61/558382561.db2.gz JTPDVJJWTODFTH-UHFFFAOYSA-N 1 0 405.929 5.253 50 0 HKAARO Brc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c(Br)c1 ZINC000012324637 558382984 /nfs/dbraw/zinc/38/29/84/558382984.db2.gz OXFDXIZJYDZQII-UHFFFAOYSA-N 1 0 422.120 5.156 50 0 HKAARO C[NH+](C)CCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000012342204 568484742 /nfs/dbraw/zinc/48/47/42/568484742.db2.gz BLFFDWCZUMLLOD-UHFFFAOYSA-N 1 0 415.562 5.562 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345250 568493487 /nfs/dbraw/zinc/49/34/87/568493487.db2.gz GOZFHNFFVPIQEN-UHFFFAOYSA-N 1 0 423.991 5.008 50 0 HKAARO O=C(C[NH2+]C1CCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000012360068 132359034 /nfs/dbraw/zinc/35/90/34/132359034.db2.gz NHGLMLKOPKUAMT-UHFFFAOYSA-N 1 0 406.473 5.757 50 0 biogenic HKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 ZINC000012373078 558390658 /nfs/dbraw/zinc/39/06/58/558390658.db2.gz DCVKREHHPZCEIM-UHFFFAOYSA-N 1 0 404.982 5.142 50 0 HKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000012375526 558391808 /nfs/dbraw/zinc/39/18/08/558391808.db2.gz OMHZVGXZNVTFQL-UHFFFAOYSA-N 1 0 416.304 5.591 50 0 HKAARO CC(C)(C)c1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(C(C)(C)C)c1O ZINC000012381546 558499271 /nfs/dbraw/zinc/49/92/71/558499271.db2.gz UJFGBDZKBTZXFZ-UHFFFAOYSA-N 1 0 403.610 6.548 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012385656 558394498 /nfs/dbraw/zinc/39/44/98/558394498.db2.gz LAHAYAHUVYCZGW-KRWDZBQOSA-N 1 0 415.578 5.100 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012385657 558394551 /nfs/dbraw/zinc/39/45/51/558394551.db2.gz LAHAYAHUVYCZGW-QGZVFWFLSA-N 1 0 415.578 5.100 50 0 HKAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)n1 ZINC000012386654 558395348 /nfs/dbraw/zinc/39/53/48/558395348.db2.gz VALJGBKVJNNNIE-QGZVFWFLSA-N 1 0 421.495 5.112 50 0 HKAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)n1 ZINC000012386655 558395554 /nfs/dbraw/zinc/39/55/54/558395554.db2.gz VALJGBKVJNNNIE-KRWDZBQOSA-N 1 0 421.495 5.112 50 0 HKAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000012387177 558396093 /nfs/dbraw/zinc/39/60/93/558396093.db2.gz XOLZPWPNLAYPDA-UHFFFAOYSA-N 1 0 417.553 5.028 50 0 HKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387601 558396396 /nfs/dbraw/zinc/39/63/96/558396396.db2.gz FPSRKKLGYXAUDF-FQEVSTJZSA-N 1 0 419.569 5.424 50 0 HKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387602 558396469 /nfs/dbraw/zinc/39/64/69/558396469.db2.gz FPSRKKLGYXAUDF-HXUWFJFHSA-N 1 0 419.569 5.424 50 0 HKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)c2)c1 ZINC000012387681 558396534 /nfs/dbraw/zinc/39/65/34/558396534.db2.gz MCJPFHXIJXJRMQ-UHFFFAOYSA-N 1 0 418.512 5.352 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccsc2)CC1 ZINC000012387764 525137530 /nfs/dbraw/zinc/13/75/30/525137530.db2.gz PGECEODTWCFZMR-UHFFFAOYSA-N 1 0 419.594 5.006 50 0 HKAARO C[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1)c1ccccc1 ZINC000012387771 558396702 /nfs/dbraw/zinc/39/67/02/558396702.db2.gz XYYHSQUZIJPWIQ-FQEVSTJZSA-N 1 0 415.537 5.328 50 0 HKAARO C[C@H](C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1)c1ccccc1 ZINC000012387772 558396678 /nfs/dbraw/zinc/39/66/78/558396678.db2.gz XYYHSQUZIJPWIQ-HXUWFJFHSA-N 1 0 415.537 5.328 50 0 HKAARO CC[NH+](CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000012402836 558397538 /nfs/dbraw/zinc/39/75/38/558397538.db2.gz GKIRPKYJQBWNGO-QPLCGJKRSA-N 1 0 405.969 6.563 50 0 fda HKAARO C[NH+]1CCN(c2cc(O)c(Sc3nc4ccccc4s3)c3ccccc32)CC1 ZINC000012416760 132359671 /nfs/dbraw/zinc/35/96/71/132359671.db2.gz RXGPRPINTNMQKU-UHFFFAOYSA-N 1 0 407.564 5.058 50 0 HKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)c(Cl)c1 ZINC000012428852 558403941 /nfs/dbraw/zinc/40/39/41/558403941.db2.gz NIDBDVJQTVQFDB-UHFFFAOYSA-N 1 0 416.304 5.591 50 0 HKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2sccc2C)CC1 ZINC000012431135 558405749 /nfs/dbraw/zinc/40/57/49/558405749.db2.gz NFXXLECWWKQTBU-UHFFFAOYSA-N 1 0 414.615 5.076 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)NCc1ccccc1Cl ZINC000012431726 558406271 /nfs/dbraw/zinc/40/62/71/558406271.db2.gz HLXBPHJCXFTXQM-IBGZPJMESA-N 1 0 421.972 5.197 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)NCc1ccccc1Cl ZINC000012431727 558406267 /nfs/dbraw/zinc/40/62/67/558406267.db2.gz HLXBPHJCXFTXQM-LJQANCHMSA-N 1 0 421.972 5.197 50 0 HKAARO CCOc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccc4)CC3)c(C)o2)cc1 ZINC000012433046 558406925 /nfs/dbraw/zinc/40/69/25/558406925.db2.gz YNAXDXFGYSAUPG-UHFFFAOYSA-N 1 0 406.526 5.230 50 0 HKAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)Cc3ccc(-n4cccn4)cc3)ccc2c1 ZINC000012434338 558408278 /nfs/dbraw/zinc/40/82/78/558408278.db2.gz ZCFGUUHQEMZVOW-UHFFFAOYSA-N 1 0 423.520 5.056 50 0 HKAARO COc1ccc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)c(C)o2)c2ccccc12 ZINC000012434477 558408365 /nfs/dbraw/zinc/40/83/65/558408365.db2.gz RIFFFWLZPMIFPT-UHFFFAOYSA-N 1 0 413.521 5.586 50 0 HKAARO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434523 558408403 /nfs/dbraw/zinc/40/84/03/558408403.db2.gz KTZPAYLQYSLLTI-RUZDIDTESA-N 1 0 410.521 5.612 50 0 HKAARO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434524 558408378 /nfs/dbraw/zinc/40/83/78/558408378.db2.gz KTZPAYLQYSLLTI-VWLOTQADSA-N 1 0 410.521 5.612 50 0 HKAARO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012434957 558408638 /nfs/dbraw/zinc/40/86/38/558408638.db2.gz NAZQVEXJKDVNNF-LJQANCHMSA-N 1 0 416.447 5.138 50 0 HKAARO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012434958 558408771 /nfs/dbraw/zinc/40/87/71/558408771.db2.gz NAZQVEXJKDVNNF-IBGZPJMESA-N 1 0 416.447 5.138 50 0 HKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012436280 558409071 /nfs/dbraw/zinc/40/90/71/558409071.db2.gz QEQWMVGYMPXDFY-JOCHJYFZSA-N 1 0 415.537 5.157 50 0 HKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012436281 558409035 /nfs/dbraw/zinc/40/90/35/558409035.db2.gz QEQWMVGYMPXDFY-QFIPXVFZSA-N 1 0 415.537 5.157 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438841 558410335 /nfs/dbraw/zinc/41/03/35/558410335.db2.gz TYZPNLREMGWWBJ-SFHVURJKSA-N 1 0 423.557 5.580 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438842 558410327 /nfs/dbraw/zinc/41/03/27/558410327.db2.gz TYZPNLREMGWWBJ-GOSISDBHSA-N 1 0 423.557 5.580 50 0 HKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccc(C)s2)CC1 ZINC000012439061 558410567 /nfs/dbraw/zinc/41/05/67/558410567.db2.gz BJWBQDBPQXDDEF-UHFFFAOYSA-N 1 0 414.615 5.076 50 0 HKAARO Cc1c2cccc(C)c2[nH]c1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439390 558410856 /nfs/dbraw/zinc/41/08/56/558410856.db2.gz DMWUPEYBOHIFEE-IBGZPJMESA-N 1 0 407.533 5.555 50 0 HKAARO Cc1c2cccc(C)c2[nH]c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439391 558410749 /nfs/dbraw/zinc/41/07/49/558410749.db2.gz DMWUPEYBOHIFEE-LJQANCHMSA-N 1 0 407.533 5.555 50 0 HKAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)c1 ZINC000012439980 558411490 /nfs/dbraw/zinc/41/14/90/558411490.db2.gz ADOOGIDOIKTTJA-UHFFFAOYSA-N 1 0 406.526 5.122 50 0 HKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1 ZINC000012440643 558411649 /nfs/dbraw/zinc/41/16/49/558411649.db2.gz VZDDCOGNULLJAM-UHFFFAOYSA-N 1 0 408.590 5.062 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000012440942 558411703 /nfs/dbraw/zinc/41/17/03/558411703.db2.gz VDYYVQFVIMVOFX-KRWDZBQOSA-N 1 0 420.475 5.366 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000012440944 558412000 /nfs/dbraw/zinc/41/20/00/558412000.db2.gz VDYYVQFVIMVOFX-QGZVFWFLSA-N 1 0 420.475 5.366 50 0 HKAARO Cc1cccc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)n1 ZINC000012442930 568724780 /nfs/dbraw/zinc/72/47/80/568724780.db2.gz XFDLPUHGALCLNI-UHFFFAOYSA-N 1 0 419.613 5.038 50 0 HKAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012444615 558413102 /nfs/dbraw/zinc/41/31/02/558413102.db2.gz VGBRVGAVQKSQOE-FQEVSTJZSA-N 1 0 421.907 5.222 50 0 HKAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012444618 558413167 /nfs/dbraw/zinc/41/31/67/558413167.db2.gz VGBRVGAVQKSQOE-HXUWFJFHSA-N 1 0 421.907 5.222 50 0 HKAARO CC[C@@H]([NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)c1ccc(C)cc1 ZINC000012446855 558414556 /nfs/dbraw/zinc/41/45/56/558414556.db2.gz BDZOBXHJXJFDQH-JOCHJYFZSA-N 1 0 418.585 5.208 50 0 HKAARO CC[C@H]([NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)c1ccc(C)cc1 ZINC000012446857 522639764 /nfs/dbraw/zinc/63/97/64/522639764.db2.gz BDZOBXHJXJFDQH-QFIPXVFZSA-N 1 0 418.585 5.208 50 0 HKAARO O=C(c1cccc(Cl)c1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012448155 558415345 /nfs/dbraw/zinc/41/53/45/558415345.db2.gz UXKNEWYYILOOQY-UHFFFAOYSA-N 1 0 411.977 5.032 50 0 HKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2=CCCCC2)CC1 ZINC000012448288 558415376 /nfs/dbraw/zinc/41/53/76/558415376.db2.gz CULCOQZNXZRJSQ-UHFFFAOYSA-N 1 0 417.597 5.131 50 0 HKAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012449312 558663561 /nfs/dbraw/zinc/66/35/61/558663561.db2.gz OLCOWQSHMXAZTI-UHFFFAOYSA-N 1 0 410.521 5.081 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012456064 558417309 /nfs/dbraw/zinc/41/73/09/558417309.db2.gz PKXSILJRENCOTL-KRWDZBQOSA-N 1 0 401.558 5.579 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012456066 558417314 /nfs/dbraw/zinc/41/73/14/558417314.db2.gz PKXSILJRENCOTL-QGZVFWFLSA-N 1 0 401.558 5.579 50 0 HKAARO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012456276 558417293 /nfs/dbraw/zinc/41/72/93/558417293.db2.gz BWUKTQPOXWAMGH-JOCHJYFZSA-N 1 0 418.610 5.285 50 0 HKAARO Cc1cnc(SCc2ccccn2)nc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012456278 558417328 /nfs/dbraw/zinc/41/73/28/558417328.db2.gz BWUKTQPOXWAMGH-QFIPXVFZSA-N 1 0 418.610 5.285 50 0 HKAARO Cc1c2cccc(C)c2[nH]c1C[NH+]1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012456446 558417445 /nfs/dbraw/zinc/41/74/45/558417445.db2.gz YTBAHOFGYWRIMR-UHFFFAOYSA-N 1 0 415.537 5.009 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460196 558419148 /nfs/dbraw/zinc/41/91/48/558419148.db2.gz MBFNULUCGSJHGU-OAQYLSRUSA-N 1 0 401.510 5.033 50 0 HKAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460197 558419169 /nfs/dbraw/zinc/41/91/69/558419169.db2.gz MBFNULUCGSJHGU-NRFANRHFSA-N 1 0 401.510 5.033 50 0 HKAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(F)c2F)c1 ZINC000012465945 558420520 /nfs/dbraw/zinc/42/05/20/558420520.db2.gz PDVYZTNPGVDOLB-UHFFFAOYSA-N 1 0 405.448 5.116 50 0 HKAARO O=C(Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1)c1ccccc1Cl ZINC000012470417 558421710 /nfs/dbraw/zinc/42/17/10/558421710.db2.gz JTAYMTDXRLYBNG-UHFFFAOYSA-N 1 0 422.960 5.059 50 0 HKAARO CC(C)c1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000012475897 558422732 /nfs/dbraw/zinc/42/27/32/558422732.db2.gz SSXWSCCKTXVORJ-UHFFFAOYSA-N 1 0 406.570 5.089 50 0 HKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccc(C)s4)CC3)c2)c1 ZINC000012476458 558422938 /nfs/dbraw/zinc/42/29/38/558422938.db2.gz XYIFIYLHPZCVCH-UHFFFAOYSA-N 1 0 420.578 5.583 50 0 HKAARO O=C(Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1)c1ccccc1Cl ZINC000012476798 558422913 /nfs/dbraw/zinc/42/29/13/558422913.db2.gz IYMPZNNFGYWRMA-UHFFFAOYSA-N 1 0 400.954 5.006 50 0 HKAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)cn1 ZINC000012477885 558422818 /nfs/dbraw/zinc/42/28/18/558422818.db2.gz WBXYLYDBWDFHMD-UHFFFAOYSA-N 1 0 414.553 5.083 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000012479536 558423231 /nfs/dbraw/zinc/42/32/31/558423231.db2.gz YYWHTNLBEUJANT-FQEVSTJZSA-N 1 0 404.554 5.369 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000012479543 558423153 /nfs/dbraw/zinc/42/31/53/558423153.db2.gz YYWHTNLBEUJANT-HXUWFJFHSA-N 1 0 404.554 5.369 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012494869 568839028 /nfs/dbraw/zinc/83/90/28/568839028.db2.gz FQCKFBWOIYBMAE-FGZHOGPDSA-N 1 0 422.396 5.725 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012494882 568839066 /nfs/dbraw/zinc/83/90/66/568839066.db2.gz FQCKFBWOIYBMAE-FCHUYYIVSA-N 1 0 422.396 5.725 50 0 HKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccccc1 ZINC000012524094 568842507 /nfs/dbraw/zinc/84/25/07/568842507.db2.gz XKNDOQYVKIKTTR-IZIIKQMZSA-N 1 0 405.562 5.137 50 0 HKAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccccc1 ZINC000012524096 568842445 /nfs/dbraw/zinc/84/24/45/568842445.db2.gz XKNDOQYVKIKTTR-ZYKOEDHHSA-N 1 0 405.562 5.137 50 0 HKAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC000012527908 132361886 /nfs/dbraw/zinc/36/18/86/132361886.db2.gz APWGZNKERUPQDO-UHFFFAOYSA-N 1 0 413.974 5.257 50 0 HKAARO c1cn2c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551838 568853798 /nfs/dbraw/zinc/85/37/98/568853798.db2.gz IAIXWMINOGVFIM-IBGZPJMESA-N 1 0 417.534 5.171 50 0 HKAARO c1cn2c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551841 568853852 /nfs/dbraw/zinc/85/38/52/568853852.db2.gz IAIXWMINOGVFIM-LJQANCHMSA-N 1 0 417.534 5.171 50 0 HKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000012561512 568858512 /nfs/dbraw/zinc/85/85/12/568858512.db2.gz HZGYJRYBXODOSF-DRSNIGMVSA-N 1 0 422.396 5.438 50 0 HKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000012561516 568858467 /nfs/dbraw/zinc/85/84/67/568858467.db2.gz HZGYJRYBXODOSF-HYFFOGBASA-N 1 0 422.396 5.438 50 0 HKAARO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 ZINC000012567855 568860498 /nfs/dbraw/zinc/86/04/98/568860498.db2.gz KMYNRXLQTWHNLR-RDTXWAMCSA-N 1 0 413.930 5.023 50 0 HKAARO C[C@H]([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 ZINC000012567856 568860589 /nfs/dbraw/zinc/86/05/89/568860589.db2.gz KMYNRXLQTWHNLR-KBXCAEBGSA-N 1 0 413.930 5.023 50 0 HKAARO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 ZINC000012567857 568860542 /nfs/dbraw/zinc/86/05/42/568860542.db2.gz KMYNRXLQTWHNLR-KDOFPFPSSA-N 1 0 413.930 5.023 50 0 HKAARO C[C@H]([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 ZINC000012567858 568860538 /nfs/dbraw/zinc/86/05/38/568860538.db2.gz KMYNRXLQTWHNLR-KSSFIOAISA-N 1 0 413.930 5.023 50 0 HKAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 ZINC000012568176 568860913 /nfs/dbraw/zinc/86/09/13/568860913.db2.gz SWWZJBLJSOEHTK-RUZDIDTESA-N 1 0 419.594 5.228 50 0 HKAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 ZINC000012568177 568860882 /nfs/dbraw/zinc/86/08/82/568860882.db2.gz SWWZJBLJSOEHTK-VWLOTQADSA-N 1 0 419.594 5.228 50 0 HKAARO C[NH+](C)C1(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCCCC1 ZINC000012568436 568861063 /nfs/dbraw/zinc/86/10/63/568861063.db2.gz UJIUCNHCOJZHJL-UHFFFAOYSA-N 1 0 403.526 5.003 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3Cl)c2)cnn1-c1cccc(F)c1 ZINC000012570424 558428753 /nfs/dbraw/zinc/42/87/53/558428753.db2.gz YUDGBDUEYAYLRR-OAHLLOKOSA-N 1 0 409.896 5.010 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3Cl)c2)cnn1-c1cccc(F)c1 ZINC000012570430 558428727 /nfs/dbraw/zinc/42/87/27/558428727.db2.gz YUDGBDUEYAYLRR-HNNXBMFYSA-N 1 0 409.896 5.010 50 0 HKAARO O=C(CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1)Nc1ccccc1Cl ZINC000012573621 558430052 /nfs/dbraw/zinc/43/00/52/558430052.db2.gz OGPUFLFSYGMXGK-UHFFFAOYSA-N 1 0 422.903 5.572 50 0 HKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1Cl ZINC000012573986 558430334 /nfs/dbraw/zinc/43/03/34/558430334.db2.gz PSIAJRNSCZFTGH-ZVVFDCPKSA-N 1 0 402.922 5.086 50 0 HKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1Cl ZINC000012573994 558430302 /nfs/dbraw/zinc/43/03/02/558430302.db2.gz PSIAJRNSCZFTGH-ZNNBYXKUSA-N 1 0 402.922 5.086 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000012577626 558431502 /nfs/dbraw/zinc/43/15/02/558431502.db2.gz BJMKVCYMSFEPTH-HSZRJFAPSA-N 1 0 400.501 5.363 50 0 HKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000012577632 558431597 /nfs/dbraw/zinc/43/15/97/558431597.db2.gz BJMKVCYMSFEPTH-QHCPKHFHSA-N 1 0 400.501 5.363 50 0 HKAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]Cc2ccc(C)o2)cc1F ZINC000012578081 558431858 /nfs/dbraw/zinc/43/18/58/558431858.db2.gz LDDDDJDGIVEPQN-UHFFFAOYSA-N 1 0 405.473 5.187 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578448 132364532 /nfs/dbraw/zinc/36/45/32/132364532.db2.gz LXCBYNFZXANPAE-VQTJNVASSA-N 1 0 401.554 5.508 50 0 HKAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578458 132364503 /nfs/dbraw/zinc/36/45/03/132364503.db2.gz LXCBYNFZXANPAE-PMACEKPBSA-N 1 0 401.554 5.508 50 0 HKAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578464 132364499 /nfs/dbraw/zinc/36/44/99/132364499.db2.gz LXCBYNFZXANPAE-WOJBJXKFSA-N 1 0 401.554 5.508 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc21 ZINC000012578470 132364515 /nfs/dbraw/zinc/36/45/15/132364515.db2.gz LXCBYNFZXANPAE-UXHICEINSA-N 1 0 401.554 5.508 50 0 HKAARO Cc1ccsc1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012580970 558432308 /nfs/dbraw/zinc/43/23/08/558432308.db2.gz NMKPILOGGVRZRU-UHFFFAOYSA-N 1 0 424.532 5.102 50 0 HKAARO C[C@@H](CC[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1)c1ccccc1 ZINC000012581845 558432707 /nfs/dbraw/zinc/43/27/07/558432707.db2.gz XXAFNNROTBTCNL-QFIPXVFZSA-N 1 0 420.597 5.350 50 0 HKAARO C[C@H](CC[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1)c1ccccc1 ZINC000012581853 558432637 /nfs/dbraw/zinc/43/26/37/558432637.db2.gz XXAFNNROTBTCNL-JOCHJYFZSA-N 1 0 420.597 5.350 50 0 HKAARO COc1ccc(-c2nc(C[N@H+](C)CC34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC ZINC000012581856 558432529 /nfs/dbraw/zinc/43/25/29/558432529.db2.gz SXCMVVORYXDZLX-UHFFFAOYSA-N 1 0 410.558 5.315 50 0 HKAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000012582636 558433091 /nfs/dbraw/zinc/43/30/91/558433091.db2.gz SQFKLUZIGMYIQQ-UHFFFAOYSA-N 1 0 402.538 5.013 50 0 HKAARO CCn1nc(C)c(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1C ZINC000012582939 558433120 /nfs/dbraw/zinc/43/31/20/558433120.db2.gz UWFAXOXHUMEJSO-HSZRJFAPSA-N 1 0 405.590 5.170 50 0 HKAARO CCn1nc(C)c(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1C ZINC000012582946 558433134 /nfs/dbraw/zinc/43/31/34/558433134.db2.gz UWFAXOXHUMEJSO-QHCPKHFHSA-N 1 0 405.590 5.170 50 0 HKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)o1 ZINC000012583804 558433387 /nfs/dbraw/zinc/43/33/87/558433387.db2.gz LASZKDIMBJJNAW-KRWDZBQOSA-N 1 0 423.582 5.556 50 0 HKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)o1 ZINC000012583812 558433363 /nfs/dbraw/zinc/43/33/63/558433363.db2.gz LASZKDIMBJJNAW-QGZVFWFLSA-N 1 0 423.582 5.556 50 0 HKAARO COc1cccc(-c2nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c1OC ZINC000012586921 558434444 /nfs/dbraw/zinc/43/44/44/558434444.db2.gz WTCVSMJRVAGZLT-UHFFFAOYSA-N 1 0 416.521 5.228 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cnn1C ZINC000012587767 558434597 /nfs/dbraw/zinc/43/45/97/558434597.db2.gz VDFOAHMHSQVYGI-OAHLLOKOSA-N 1 0 423.923 5.225 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cnn1C ZINC000012587773 558434691 /nfs/dbraw/zinc/43/46/91/558434691.db2.gz VDFOAHMHSQVYGI-HNNXBMFYSA-N 1 0 423.923 5.225 50 0 HKAARO CSc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588841 558435065 /nfs/dbraw/zinc/43/50/65/558435065.db2.gz QCFJXJTXKNKTIY-SFHVURJKSA-N 1 0 400.563 5.487 50 0 HKAARO CSc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588846 558435150 /nfs/dbraw/zinc/43/51/50/558435150.db2.gz QCFJXJTXKNKTIY-GOSISDBHSA-N 1 0 400.563 5.487 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012590410 558435485 /nfs/dbraw/zinc/43/54/85/558435485.db2.gz XNGUSYTXBFERCT-UHFFFAOYSA-N 1 0 418.512 5.352 50 0 HKAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2ccc(C)s2)cc1 ZINC000012592731 558436437 /nfs/dbraw/zinc/43/64/37/558436437.db2.gz PLLOFZVVJMPNNW-UHFFFAOYSA-N 1 0 407.514 5.347 50 0 HKAARO CC(C)Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000012593838 558436556 /nfs/dbraw/zinc/43/65/56/558436556.db2.gz OWXLTPJSOPFIDL-UHFFFAOYSA-N 1 0 408.590 5.047 50 0 HKAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012596720 558437860 /nfs/dbraw/zinc/43/78/60/558437860.db2.gz VBSZMIAFWDLUPQ-UHFFFAOYSA-N 1 0 417.532 5.001 50 0 HKAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc(F)cc1Cl ZINC000012597029 568869115 /nfs/dbraw/zinc/86/91/15/568869115.db2.gz VNWVWTJMIHTKRG-UHFFFAOYSA-N 1 0 423.359 5.159 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000012597506 558438380 /nfs/dbraw/zinc/43/83/80/558438380.db2.gz DOPKOMQLFWBENZ-UHFFFAOYSA-N 1 0 404.510 5.114 50 0 HKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2cccs2)c(F)c1 ZINC000012597534 558438398 /nfs/dbraw/zinc/43/83/98/558438398.db2.gz ADRMXSCFYITHSJ-INIZCTEOSA-N 1 0 407.514 5.599 50 0 HKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2cccs2)c(F)c1 ZINC000012597537 558438533 /nfs/dbraw/zinc/43/85/33/558438533.db2.gz ADRMXSCFYITHSJ-MRXNPFEDSA-N 1 0 407.514 5.599 50 0 HKAARO COc1ccc([C@@H](CNc2ncnc3sc(-c4ccccc4)cc32)[NH+](C)C)cc1 ZINC000012614201 568871810 /nfs/dbraw/zinc/87/18/10/568871810.db2.gz LYXLTHBZOFPIQS-HXUWFJFHSA-N 1 0 404.539 5.082 50 0 HKAARO COc1ccc([C@H](CNc2ncnc3sc(-c4ccccc4)cc32)[NH+](C)C)cc1 ZINC000012614205 568871904 /nfs/dbraw/zinc/87/19/04/568871904.db2.gz LYXLTHBZOFPIQS-FQEVSTJZSA-N 1 0 404.539 5.082 50 0 HKAARO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617713 568872134 /nfs/dbraw/zinc/87/21/34/568872134.db2.gz GMZGSFXWGBIZMI-GDBMZVCRSA-N 1 0 408.502 5.426 50 0 HKAARO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617717 568872171 /nfs/dbraw/zinc/87/21/71/568872171.db2.gz GMZGSFXWGBIZMI-GOEBONIOSA-N 1 0 408.502 5.426 50 0 HKAARO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCC[NH+]1CCCCC1)n2C ZINC000012652722 558443964 /nfs/dbraw/zinc/44/39/64/558443964.db2.gz ANBFYJBOVFIXHV-UHFFFAOYSA-N 1 0 423.988 5.277 50 0 HKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000012661538 569402571 /nfs/dbraw/zinc/40/25/71/569402571.db2.gz UQMJNEBBJGQUEV-OONXPTISSA-N 1 0 407.598 5.255 50 0 biogenic HKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012661635 569402698 /nfs/dbraw/zinc/40/26/98/569402698.db2.gz AASBORAVPLVJOH-VJPXLHPWSA-N 1 0 407.598 5.399 50 0 biogenic HKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000012682684 568907728 /nfs/dbraw/zinc/90/77/28/568907728.db2.gz LJZXAPORQBWLIQ-UHFFFAOYSA-N 1 0 406.533 5.661 50 0 HKAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000012689283 568908124 /nfs/dbraw/zinc/90/81/24/568908124.db2.gz CCJKHLQVJYFQTG-CQSZACIVSA-N 1 0 409.332 5.609 50 0 HKAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000012689290 568908161 /nfs/dbraw/zinc/90/81/61/568908161.db2.gz CCJKHLQVJYFQTG-AWEZNQCLSA-N 1 0 409.332 5.609 50 0 HKAARO COc1ccc(-c2nnc([C@H](C)[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000012690464 568913956 /nfs/dbraw/zinc/91/39/56/568913956.db2.gz UMCNQFZUFPNORF-JTSKRJEESA-N 1 0 407.514 5.432 50 0 HKAARO Cc1ccc2cc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)c(Cl)nc2c1C ZINC000012700836 568917255 /nfs/dbraw/zinc/91/72/55/568917255.db2.gz GVCDJIHVTSGSKV-UHFFFAOYSA-N 1 0 405.929 6.026 50 0 HKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000012701399 558447648 /nfs/dbraw/zinc/44/76/48/558447648.db2.gz OKWWUENATXPHKN-UHFFFAOYSA-N 1 0 420.484 5.174 50 0 HKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000012703029 558448539 /nfs/dbraw/zinc/44/85/39/558448539.db2.gz AHDMMXVKDDALPT-UHFFFAOYSA-N 1 0 414.546 5.164 50 0 HKAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012703922 558448960 /nfs/dbraw/zinc/44/89/60/558448960.db2.gz NTDNOKIFNWOFLP-UHFFFAOYSA-N 1 0 416.569 5.372 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000012705326 558449437 /nfs/dbraw/zinc/44/94/37/558449437.db2.gz QXQQTBZRFQEYBT-UHFFFAOYSA-N 1 0 418.512 5.352 50 0 HKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](CCc2ccccc2)CC1 ZINC000012707295 558450237 /nfs/dbraw/zinc/45/02/37/558450237.db2.gz UYDLTQHCZVHIRB-UHFFFAOYSA-N 1 0 419.487 5.136 50 0 HKAARO CSc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000012708421 568917693 /nfs/dbraw/zinc/91/76/93/568917693.db2.gz FHDZHIORIUXYCO-UHFFFAOYSA-N 1 0 417.018 5.089 50 0 HKAARO COC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709566 569383644 /nfs/dbraw/zinc/38/36/44/569383644.db2.gz XTLLGDTWEXVZSJ-GOSISDBHSA-N 1 0 413.562 5.215 50 0 HKAARO COC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709573 569383717 /nfs/dbraw/zinc/38/37/17/569383717.db2.gz XTLLGDTWEXVZSJ-SFHVURJKSA-N 1 0 413.562 5.215 50 0 HKAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709615 558451664 /nfs/dbraw/zinc/45/16/64/558451664.db2.gz IDKIEVZLPDVTEG-NRFANRHFSA-N 1 0 404.529 5.006 50 0 HKAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709620 558451563 /nfs/dbraw/zinc/45/15/63/558451563.db2.gz IDKIEVZLPDVTEG-OAQYLSRUSA-N 1 0 404.529 5.006 50 0 HKAARO CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)o1 ZINC000012710461 558452203 /nfs/dbraw/zinc/45/22/03/558452203.db2.gz QJANELVGSQBTES-UHFFFAOYSA-N 1 0 418.537 5.368 50 0 HKAARO CC(C)[C@@H](O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000012712292 558453363 /nfs/dbraw/zinc/45/33/63/558453363.db2.gz PFYNJCQGDJMEFO-AREMUKBSSA-N 1 0 419.569 5.108 50 0 HKAARO CC(C)[C@H](O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000012712296 558453285 /nfs/dbraw/zinc/45/32/85/558453285.db2.gz PFYNJCQGDJMEFO-SANMLTNESA-N 1 0 419.569 5.108 50 0 HKAARO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc4ccccc43)c(C)o2)cc1OC ZINC000012712818 558453619 /nfs/dbraw/zinc/45/36/19/558453619.db2.gz RMPQYHUPUZGWHP-UHFFFAOYSA-N 1 0 402.494 5.452 50 0 HKAARO CC[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714457 558454409 /nfs/dbraw/zinc/45/44/09/558454409.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 1 0 405.561 5.151 50 0 HKAARO CC[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714459 558454331 /nfs/dbraw/zinc/45/43/31/558454331.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 1 0 405.561 5.151 50 0 HKAARO O=C(CCC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000012714650 568917871 /nfs/dbraw/zinc/91/78/71/568917871.db2.gz HFGWGNRMMYXCIJ-UHFFFAOYSA-N 1 0 422.960 5.157 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012714662 558454652 /nfs/dbraw/zinc/45/46/52/558454652.db2.gz WQSFMQJEVSVKDF-OAQYLSRUSA-N 1 0 418.512 5.352 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012714668 558454579 /nfs/dbraw/zinc/45/45/79/558454579.db2.gz WQSFMQJEVSVKDF-NRFANRHFSA-N 1 0 418.512 5.352 50 0 HKAARO COc1ccc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)c(C)o2)c(OC)c1C ZINC000012716425 558455356 /nfs/dbraw/zinc/45/53/56/558455356.db2.gz KNRLSIAOAIQIFX-UHFFFAOYSA-N 1 0 406.526 5.355 50 0 HKAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718560 558456140 /nfs/dbraw/zinc/45/61/40/558456140.db2.gz QKMXJQPMGZOVBW-LJQANCHMSA-N 1 0 407.901 5.017 50 0 HKAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718561 558456262 /nfs/dbraw/zinc/45/62/62/558456262.db2.gz QKMXJQPMGZOVBW-IBGZPJMESA-N 1 0 407.901 5.017 50 0 HKAARO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]Cc2ccccc2F)OCO4)cc1 ZINC000012727005 558457210 /nfs/dbraw/zinc/45/72/10/558457210.db2.gz ARBGWXFPNMJIFM-UHFFFAOYSA-N 1 0 404.416 5.199 50 0 HKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)o1 ZINC000012744717 558457905 /nfs/dbraw/zinc/45/79/05/558457905.db2.gz FGPNMRDKKFPTRH-FQEVSTJZSA-N 1 0 424.585 5.251 50 0 HKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)o1 ZINC000012744720 558457910 /nfs/dbraw/zinc/45/79/10/558457910.db2.gz FGPNMRDKKFPTRH-HXUWFJFHSA-N 1 0 424.585 5.251 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc2ccccc21 ZINC000012744836 558457863 /nfs/dbraw/zinc/45/78/63/558457863.db2.gz GNAJUHYDDGTDRZ-LJQANCHMSA-N 1 0 407.521 5.370 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc2ccccc21 ZINC000012744838 558457884 /nfs/dbraw/zinc/45/78/84/558457884.db2.gz GNAJUHYDDGTDRZ-IBGZPJMESA-N 1 0 407.521 5.370 50 0 HKAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000012744899 558457921 /nfs/dbraw/zinc/45/79/21/558457921.db2.gz AWFWGPKWOALFPO-UHFFFAOYSA-N 1 0 420.528 5.112 50 0 HKAARO O=C(CCC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1)Nc1ccccc1 ZINC000012745088 558457875 /nfs/dbraw/zinc/45/78/75/558457875.db2.gz WGKRMRGMZPHFOG-UHFFFAOYSA-N 1 0 405.567 5.441 50 0 HKAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012745367 558458039 /nfs/dbraw/zinc/45/80/39/558458039.db2.gz BDMMTCFAKZZXIH-LJQANCHMSA-N 1 0 401.535 5.182 50 0 HKAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012745371 558458120 /nfs/dbraw/zinc/45/81/20/558458120.db2.gz BDMMTCFAKZZXIH-IBGZPJMESA-N 1 0 401.535 5.182 50 0 HKAARO COc1ccc(/C=C/C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000012745895 558458158 /nfs/dbraw/zinc/45/81/58/558458158.db2.gz RETKJTDBCYXSAR-SNAWJCMRSA-N 1 0 412.961 5.493 50 0 HKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCCCC1 ZINC000012746052 558458085 /nfs/dbraw/zinc/45/80/85/558458085.db2.gz AHEUGBSLUAVODE-IBGZPJMESA-N 1 0 416.993 5.166 50 0 HKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCCCC1 ZINC000012746058 558458183 /nfs/dbraw/zinc/45/81/83/558458183.db2.gz AHEUGBSLUAVODE-LJQANCHMSA-N 1 0 416.993 5.166 50 0 HKAARO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000012746923 568932916 /nfs/dbraw/zinc/93/29/16/568932916.db2.gz AEBGIIDZWBBPPW-JOCHJYFZSA-N 1 0 424.566 5.794 50 0 HKAARO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000012746930 568932924 /nfs/dbraw/zinc/93/29/24/568932924.db2.gz AEBGIIDZWBBPPW-QFIPXVFZSA-N 1 0 424.566 5.794 50 0 HKAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCCc2scnc2C)o1 ZINC000012749693 558458881 /nfs/dbraw/zinc/45/88/81/558458881.db2.gz OFTZHQUUUHHKJZ-UHFFFAOYSA-N 1 0 410.518 5.067 50 0 HKAARO CC(C)c1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000012751354 558459097 /nfs/dbraw/zinc/45/90/97/558459097.db2.gz PHQHLMATISFLFJ-UHFFFAOYSA-N 1 0 406.570 5.089 50 0 HKAARO CCN(Cc1nc(C(C)C)cs1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012751979 558459357 /nfs/dbraw/zinc/45/93/57/558459357.db2.gz XZXGOJDAGWEMTA-NRFANRHFSA-N 1 0 415.647 5.052 50 0 HKAARO CCN(Cc1nc(C(C)C)cs1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012751985 558459339 /nfs/dbraw/zinc/45/93/39/558459339.db2.gz XZXGOJDAGWEMTA-OAQYLSRUSA-N 1 0 415.647 5.052 50 0 HKAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000012756183 568943033 /nfs/dbraw/zinc/94/30/33/568943033.db2.gz ZZAHZGJYRHTIDC-UHFFFAOYSA-N 1 0 414.505 5.302 50 0 HKAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012756883 568944301 /nfs/dbraw/zinc/94/43/01/568944301.db2.gz TXVDIPVMBVOUIQ-HSZRJFAPSA-N 1 0 409.961 5.097 50 0 HKAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012756892 568944269 /nfs/dbraw/zinc/94/42/69/568944269.db2.gz TXVDIPVMBVOUIQ-QHCPKHFHSA-N 1 0 409.961 5.097 50 0 HKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767368 568949472 /nfs/dbraw/zinc/94/94/72/568949472.db2.gz BMOQOPILKKINJT-FQEVSTJZSA-N 1 0 406.448 5.270 50 0 HKAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767371 568949351 /nfs/dbraw/zinc/94/93/51/568949351.db2.gz BMOQOPILKKINJT-HXUWFJFHSA-N 1 0 406.448 5.270 50 0 HKAARO CC1CC[NH+]([C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000012780599 568957386 /nfs/dbraw/zinc/95/73/86/568957386.db2.gz GUUNQXNTKXKZAS-QFIPXVFZSA-N 1 0 409.599 5.142 50 0 HKAARO CC1CC[NH+]([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000012780604 568957434 /nfs/dbraw/zinc/95/74/34/568957434.db2.gz GUUNQXNTKXKZAS-JOCHJYFZSA-N 1 0 409.599 5.142 50 0 HKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000012787219 558463237 /nfs/dbraw/zinc/46/32/37/558463237.db2.gz HWKCXTOVHCPVGT-QGZVFWFLSA-N 1 0 402.922 5.261 50 0 HKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000012787222 558463201 /nfs/dbraw/zinc/46/32/01/558463201.db2.gz HWKCXTOVHCPVGT-KRWDZBQOSA-N 1 0 402.922 5.261 50 0 HKAARO Cc1oc(C)c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000012788101 558463852 /nfs/dbraw/zinc/46/38/52/558463852.db2.gz MNWDOXFMFNSDRI-UHFFFAOYSA-N 1 0 402.538 5.398 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccccc3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012798004 558470266 /nfs/dbraw/zinc/47/02/66/558470266.db2.gz QGXOHIROXSGYHI-MRXNPFEDSA-N 1 0 403.551 5.428 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccccc3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012798010 558470246 /nfs/dbraw/zinc/47/02/46/558470246.db2.gz QGXOHIROXSGYHI-INIZCTEOSA-N 1 0 403.551 5.428 50 0 HKAARO COc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 ZINC000012803272 568979236 /nfs/dbraw/zinc/97/92/36/568979236.db2.gz OZFKKEDYLMPCMX-MHZLTWQESA-N 1 0 422.528 5.827 50 0 HKAARO COc1ccc([C@H]([NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 ZINC000012803279 568979281 /nfs/dbraw/zinc/97/92/81/568979281.db2.gz OZFKKEDYLMPCMX-HHHXNRCGSA-N 1 0 422.528 5.827 50 0 HKAARO C[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819865 568991694 /nfs/dbraw/zinc/99/16/94/568991694.db2.gz ZLFWQQIZAJCNNA-MRXNPFEDSA-N 1 0 415.562 5.381 50 0 HKAARO C[C@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819871 568991851 /nfs/dbraw/zinc/99/18/51/568991851.db2.gz ZLFWQQIZAJCNNA-INIZCTEOSA-N 1 0 415.562 5.381 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(C)c(C)o3)CC2)c1 ZINC000012835336 569010025 /nfs/dbraw/zinc/01/00/25/569010025.db2.gz VUDAHCDFMIKFCA-UHFFFAOYSA-N 1 0 418.537 5.423 50 0 HKAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000012835526 558478127 /nfs/dbraw/zinc/47/81/27/558478127.db2.gz KXRVXFXWXJXUEI-REWPJTCUSA-N 1 0 418.585 5.073 50 0 HKAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012836861 558478346 /nfs/dbraw/zinc/47/83/46/558478346.db2.gz RHUJENKVMRHBLS-UHFFFAOYSA-N 1 0 411.505 5.346 50 0 HKAARO CC[NH+](CC)CCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000012847428 569010168 /nfs/dbraw/zinc/01/01/68/569010168.db2.gz TYGUBPDRGPZRSK-UHFFFAOYSA-N 1 0 402.538 5.178 50 0 HKAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012857291 569011221 /nfs/dbraw/zinc/01/12/21/569011221.db2.gz RZVWYOYBMNEBDB-UHFFFAOYSA-N 1 0 408.542 5.230 50 0 HKAARO C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000012857351 569404118 /nfs/dbraw/zinc/40/41/18/569404118.db2.gz ONLWOWZCJPRUQU-OJTSAMLISA-N 1 0 401.506 5.541 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000012857621 569011292 /nfs/dbraw/zinc/01/12/92/569011292.db2.gz DDMRGHPIRQHAMQ-QHCPKHFHSA-N 1 0 400.522 5.328 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000012857626 569011314 /nfs/dbraw/zinc/01/13/14/569011314.db2.gz DDMRGHPIRQHAMQ-HSZRJFAPSA-N 1 0 400.522 5.328 50 0 HKAARO COc1ccc2cc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 ZINC000012858721 569011501 /nfs/dbraw/zinc/01/15/01/569011501.db2.gz XYXHUBNVTVBRSC-QHCPKHFHSA-N 1 0 402.925 5.970 50 0 HKAARO COc1ccc2cc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 ZINC000012858731 569011478 /nfs/dbraw/zinc/01/14/78/569011478.db2.gz XYXHUBNVTVBRSC-HSZRJFAPSA-N 1 0 402.925 5.970 50 0 HKAARO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC=C(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865231 569404330 /nfs/dbraw/zinc/40/43/30/569404330.db2.gz IZOZKBXFTWQRFR-MWXBQQNOSA-N 1 0 409.545 5.373 50 0 biogenic HKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000012867844 569012249 /nfs/dbraw/zinc/01/22/49/569012249.db2.gz QGQJCYKLHRYLAC-GFCCVEGCSA-N 1 0 424.322 5.984 50 0 HKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000012867852 569012271 /nfs/dbraw/zinc/01/22/71/569012271.db2.gz QGQJCYKLHRYLAC-LBPRGKRZSA-N 1 0 424.322 5.984 50 0 HKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012881974 569404470 /nfs/dbraw/zinc/40/44/70/569404470.db2.gz XNUXTLWJUVVMKR-MWXBQQNOSA-N 1 0 423.984 5.663 50 0 biogenic HKAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+]1CCCC1 ZINC000012882623 569019114 /nfs/dbraw/zinc/01/91/14/569019114.db2.gz VOYVDQIPUWRVSF-HXUWFJFHSA-N 1 0 424.928 5.176 50 0 HKAARO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+]1CCCC1 ZINC000012882627 569019097 /nfs/dbraw/zinc/01/90/97/569019097.db2.gz VOYVDQIPUWRVSF-FQEVSTJZSA-N 1 0 424.928 5.176 50 0 HKAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1Cl ZINC000012915600 569022535 /nfs/dbraw/zinc/02/25/35/569022535.db2.gz SMJTYGXJKGLDJQ-UHFFFAOYSA-N 1 0 421.324 5.105 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918870 569022773 /nfs/dbraw/zinc/02/27/73/569022773.db2.gz GHBMLWWGWMINFP-DLBZAZTESA-N 1 0 412.455 6.050 50 0 HKAARO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918874 569022752 /nfs/dbraw/zinc/02/27/52/569022752.db2.gz GHBMLWWGWMINFP-IRXDYDNUSA-N 1 0 412.455 6.050 50 0 HKAARO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918877 569022767 /nfs/dbraw/zinc/02/27/67/569022767.db2.gz GHBMLWWGWMINFP-IAGOWNOFSA-N 1 0 412.455 6.050 50 0 HKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000012918880 569022780 /nfs/dbraw/zinc/02/27/80/569022780.db2.gz GHBMLWWGWMINFP-SJORKVTESA-N 1 0 412.455 6.050 50 0 HKAARO FC(F)(F)c1cccc(COc2ccc(-c3cc(C4CC[NH2+]CC4)[nH]n3)cc2)c1 ZINC000012956740 569405388 /nfs/dbraw/zinc/40/53/88/569405388.db2.gz JBPZBQJMYMDZLB-UHFFFAOYSA-N 1 0 401.432 5.142 50 0 HKAARO Clc1ncc(COc2ccccc2C[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000012959847 569405402 /nfs/dbraw/zinc/40/54/02/569405402.db2.gz JYZMCHCZCFXCBH-UHFFFAOYSA-N 1 0 412.986 5.830 50 0 HKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)cc1 ZINC000012975568 569042001 /nfs/dbraw/zinc/04/20/01/569042001.db2.gz YIHQIAODWHPNPE-UHFFFAOYSA-N 1 0 414.427 5.436 50 0 HKAARO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(Cl)c1 ZINC000012998996 558499660 /nfs/dbraw/zinc/49/96/60/558499660.db2.gz ACFCJVUKLBWJQM-UHFFFAOYSA-N 1 0 414.933 5.069 50 0 HKAARO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C ZINC000013004700 558501872 /nfs/dbraw/zinc/50/18/72/558501872.db2.gz IWKIMXQEKZNVNJ-DEOSSOPVSA-N 1 0 424.585 5.635 50 0 HKAARO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C ZINC000013004701 558501885 /nfs/dbraw/zinc/50/18/85/558501885.db2.gz IWKIMXQEKZNVNJ-XMMPIXPASA-N 1 0 424.585 5.635 50 0 HKAARO Cc1csc2nc(C[NH2+][C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 ZINC000013011049 558503196 /nfs/dbraw/zinc/50/31/96/558503196.db2.gz XBMFEHXBYJSSBZ-HSZRJFAPSA-N 1 0 409.599 5.599 50 0 HKAARO Cc1csc2nc(C[NH2+][C@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 ZINC000013011051 558503151 /nfs/dbraw/zinc/50/31/51/558503151.db2.gz XBMFEHXBYJSSBZ-QHCPKHFHSA-N 1 0 409.599 5.599 50 0 HKAARO O=c1cc(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000013012082 569050497 /nfs/dbraw/zinc/05/04/97/569050497.db2.gz GOFDLYZSKORCOU-QHCPKHFHSA-N 1 0 417.940 5.202 50 0 HKAARO O=c1cc(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000013012083 569050494 /nfs/dbraw/zinc/05/04/94/569050494.db2.gz GOFDLYZSKORCOU-HSZRJFAPSA-N 1 0 417.940 5.202 50 0 HKAARO COc1cccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+]2CCCC2)c1 ZINC000013038933 558505908 /nfs/dbraw/zinc/50/59/08/558505908.db2.gz HMBWLVXVTYOEEX-HXUWFJFHSA-N 1 0 422.598 5.218 50 0 HKAARO COc1cccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+]2CCCC2)c1 ZINC000013038934 558505914 /nfs/dbraw/zinc/50/59/14/558505914.db2.gz HMBWLVXVTYOEEX-FQEVSTJZSA-N 1 0 422.598 5.218 50 0 HKAARO CC[NH+](CC)[C@@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013040020 558506481 /nfs/dbraw/zinc/50/64/81/558506481.db2.gz NZWHWIRMTXHWIQ-KRWDZBQOSA-N 1 0 400.979 5.328 50 0 HKAARO CC[NH+](CC)[C@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013040021 558506533 /nfs/dbraw/zinc/50/65/33/558506533.db2.gz NZWHWIRMTXHWIQ-QGZVFWFLSA-N 1 0 400.979 5.328 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)cc2)cc1C ZINC000013040173 569407851 /nfs/dbraw/zinc/40/78/51/569407851.db2.gz QVLHSTUGGYGSHJ-GOSISDBHSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@@H](C)c3cccc(Cl)c3)cc2)cc1C ZINC000013040174 569407876 /nfs/dbraw/zinc/40/78/76/569407876.db2.gz QVLHSTUGGYGSHJ-SFHVURJKSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(C)c(Sc2ccc(NC(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)cc2)c1 ZINC000013040175 569407884 /nfs/dbraw/zinc/40/78/84/569407884.db2.gz PCUFKJWOZKYAIP-GOSISDBHSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(C)c(Sc2ccc(NC(=O)C[NH2+][C@@H](C)c3cccc(Cl)c3)cc2)c1 ZINC000013040176 569407855 /nfs/dbraw/zinc/40/78/55/569407855.db2.gz PCUFKJWOZKYAIP-SFHVURJKSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000013040177 558506832 /nfs/dbraw/zinc/50/68/32/558506832.db2.gz IOVWWSUCVXEIIH-GOSISDBHSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@@H](C)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000013040178 558506804 /nfs/dbraw/zinc/50/68/04/558506804.db2.gz IOVWWSUCVXEIIH-SFHVURJKSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000013040186 569407873 /nfs/dbraw/zinc/40/78/73/569407873.db2.gz BEOIHFQIHLMDHT-GOSISDBHSA-N 1 0 424.997 6.397 50 0 HKAARO Cc1ccc(Sc2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000013040187 560791984 /nfs/dbraw/zinc/79/19/84/560791984.db2.gz BEOIHFQIHLMDHT-SFHVURJKSA-N 1 0 424.997 6.397 50 0 HKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000013041009 558506957 /nfs/dbraw/zinc/50/69/57/558506957.db2.gz RKZVHSQPNBNOLS-UHFFFAOYSA-N 1 0 401.554 5.655 50 0 HKAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013041900 569408026 /nfs/dbraw/zinc/40/80/26/569408026.db2.gz VNJMQRCARAFLIM-QGZVFWFLSA-N 1 0 406.913 5.169 50 0 HKAARO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013041901 569408133 /nfs/dbraw/zinc/40/81/33/569408133.db2.gz VNJMQRCARAFLIM-KRWDZBQOSA-N 1 0 406.913 5.169 50 0 HKAARO CC[NH+](CC)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013041952 558507679 /nfs/dbraw/zinc/50/76/79/558507679.db2.gz HXRYJWARMGFFCX-SFHVURJKSA-N 1 0 415.006 5.719 50 0 HKAARO CC[NH+](CC)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013041953 558507704 /nfs/dbraw/zinc/50/77/04/558507704.db2.gz HXRYJWARMGFFCX-GOSISDBHSA-N 1 0 415.006 5.719 50 0 HKAARO C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063588 560884766 /nfs/dbraw/zinc/88/47/66/560884766.db2.gz FKCDPOLRFRSRCW-NVXWUHKLSA-N 1 0 413.974 5.007 50 0 HKAARO C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063589 560884769 /nfs/dbraw/zinc/88/47/69/560884769.db2.gz FKCDPOLRFRSRCW-DOTOQJQBSA-N 1 0 413.974 5.007 50 0 HKAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000013069700 558511145 /nfs/dbraw/zinc/51/11/45/558511145.db2.gz PRIIBONCNPUCDX-LJQANCHMSA-N 1 0 423.516 5.381 50 0 HKAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000013069702 558511153 /nfs/dbraw/zinc/51/11/53/558511153.db2.gz PRIIBONCNPUCDX-IBGZPJMESA-N 1 0 423.516 5.381 50 0 HKAARO Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000013095312 558512579 /nfs/dbraw/zinc/51/25/79/558512579.db2.gz BHZREAJWASTZAE-UHFFFAOYSA-N 1 0 419.019 5.006 50 0 HKAARO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000013097384 558513670 /nfs/dbraw/zinc/51/36/70/558513670.db2.gz KRKDELWOURNERO-VOBQZIQPSA-N 1 0 424.894 6.207 50 0 HKAARO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000013097386 558513645 /nfs/dbraw/zinc/51/36/45/558513645.db2.gz KRKDELWOURNERO-JSNMRZPZSA-N 1 0 424.894 6.207 50 0 HKAARO C[NH+](C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Cl ZINC000013099069 558514117 /nfs/dbraw/zinc/51/41/17/558514117.db2.gz ANQIUXIPGPLQQO-NRFANRHFSA-N 1 0 403.917 5.060 50 0 HKAARO C[NH+](C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Cl ZINC000013099070 558514044 /nfs/dbraw/zinc/51/40/44/558514044.db2.gz ANQIUXIPGPLQQO-OAQYLSRUSA-N 1 0 403.917 5.060 50 0 HKAARO O=C(Nc1cccc(Br)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013108074 558514692 /nfs/dbraw/zinc/51/46/92/558514692.db2.gz ITNTXIROJIKNAX-UHFFFAOYSA-N 1 0 421.338 5.260 50 0 HKAARO S=c1sc(SC[C@@H]2C[NH2+][C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000013131561 558520051 /nfs/dbraw/zinc/52/00/51/558520051.db2.gz QGVYENGYDQFOBU-HOTGVXAUSA-N 1 0 422.000 5.096 50 0 HKAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000013148520 558523331 /nfs/dbraw/zinc/52/33/31/558523331.db2.gz HYMPGDWOKWJSBN-XMMPIXPASA-N 1 0 411.630 6.052 50 0 HKAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000013148521 558523423 /nfs/dbraw/zinc/52/34/23/558523423.db2.gz HYMPGDWOKWJSBN-DEOSSOPVSA-N 1 0 411.630 6.052 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(Br)cc1Cl ZINC000013153207 558524103 /nfs/dbraw/zinc/52/41/03/558524103.db2.gz BVNTYTGKKBBARC-UHFFFAOYSA-N 1 0 422.754 5.732 50 0 HKAARO O=C(CN1CC[n+]2c(-c3cccs3)csc21)c1ccc(-c2ccccc2)cc1 ZINC000013154441 558524328 /nfs/dbraw/zinc/52/43/28/558524328.db2.gz QNXBHVSYEIXHAP-UHFFFAOYSA-N 1 0 403.552 5.134 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320345 560804808 /nfs/dbraw/zinc/80/48/08/560804808.db2.gz SKIYFDOSJHNNGZ-UHFFFAOYSA-N 1 0 411.855 5.989 50 0 HKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013320486 569254876 /nfs/dbraw/zinc/25/48/76/569254876.db2.gz IHAODIUGDXUYBS-UHFFFAOYSA-N 1 0 411.855 5.145 50 0 HKAARO COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396436 569413310 /nfs/dbraw/zinc/41/33/10/569413310.db2.gz LSZXSJRLEMPHQV-VXKWHMMOSA-N 1 0 411.973 5.924 50 0 HKAARO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396439 569413335 /nfs/dbraw/zinc/41/33/35/569413335.db2.gz LSZXSJRLEMPHQV-YADHBBJMSA-N 1 0 411.973 5.924 50 0 HKAARO Cc1ccc(C(=O)[C@H]2[C@H](c3cccs3)[N@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399237 569413291 /nfs/dbraw/zinc/41/32/91/569413291.db2.gz XNDXEIYARWEMSV-MZYLBHOOSA-N 1 0 403.547 5.350 50 0 HKAARO Cc1ccc(C(=O)[C@H]2C[N@@H+](C)[C@@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399243 558531508 /nfs/dbraw/zinc/53/15/08/558531508.db2.gz XNDXEIYARWEMSV-WWNPGLIZSA-N 1 0 403.547 5.350 50 0 HKAARO Clc1ccc(-c2c[n+](Cc3ccc(Br)cc3)c3n2CCCCC3)cc1 ZINC000013512078 558535847 /nfs/dbraw/zinc/53/58/47/558535847.db2.gz VGTLRNPQZKPXHY-UHFFFAOYSA-N 1 0 416.770 5.633 50 0 HKAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@H](C)[C@H]4C)cc3)sc2c1 ZINC000013522649 558835916 /nfs/dbraw/zinc/83/59/16/558835916.db2.gz WVIZROQDRHVFIV-SQGPQFPESA-N 1 0 407.583 5.625 50 0 HKAARO Cc1oc(-c2ccccc2)nc1CC[NH+]1CCC2(CC1)OC(=O)Nc1ccc(C)cc12 ZINC000013527116 558536821 /nfs/dbraw/zinc/53/68/21/558536821.db2.gz ODNICNWASXKNNQ-UHFFFAOYSA-N 1 0 417.509 5.054 50 0 in-vivo HKAARO COCC1CC[NH+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000013593387 558546468 /nfs/dbraw/zinc/54/64/68/558546468.db2.gz AVXGHKWEEAVFKR-UHFFFAOYSA-N 1 0 413.562 5.215 50 0 HKAARO COC[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593391 558546347 /nfs/dbraw/zinc/54/63/47/558546347.db2.gz LRMNRVWEHOCALO-OAQYLSRUSA-N 1 0 415.537 5.203 50 0 HKAARO COC[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593394 558546419 /nfs/dbraw/zinc/54/64/19/558546419.db2.gz LRMNRVWEHOCALO-NRFANRHFSA-N 1 0 415.537 5.203 50 0 HKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000013594346 558546600 /nfs/dbraw/zinc/54/66/00/558546600.db2.gz ZKLYGKBLLBOTEC-UHFFFAOYSA-N 1 0 403.444 5.269 50 0 HKAARO O=C(Nc1ccc(Br)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013614656 558549436 /nfs/dbraw/zinc/54/94/36/558549436.db2.gz MFESPQYOEIZYDF-UHFFFAOYSA-N 1 0 421.338 5.260 50 0 HKAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000013633844 558552993 /nfs/dbraw/zinc/55/29/93/558552993.db2.gz NYSJESQNLHOFRH-IIDMSEBBSA-N 1 0 405.369 5.725 50 0 HKAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000013635108 558553626 /nfs/dbraw/zinc/55/36/26/558553626.db2.gz KMYSTACCJFWPNY-ZNLUXHQJSA-N 1 0 415.985 5.046 50 0 biogenic HKAARO Cc1c2cc(Cl)ccc2[nH]c1C[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000013636739 558554730 /nfs/dbraw/zinc/55/47/30/558554730.db2.gz QFFCLOOUBDASLM-UHFFFAOYSA-N 1 0 412.961 5.173 50 0 HKAARO COc1ccccc1[C@]1(CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 ZINC000013660063 558851425 /nfs/dbraw/zinc/85/14/25/558851425.db2.gz DZYXLXFXKIWHKF-UKDVSSAZSA-N 1 0 416.005 6.162 50 0 HKAARO COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000013686069 558569719 /nfs/dbraw/zinc/56/97/19/558569719.db2.gz VXHVUKKYMOSWJM-AUTMPROSSA-N 1 0 401.550 5.612 50 0 HKAARO Clc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCCCC3)cc1 ZINC000013686399 558569761 /nfs/dbraw/zinc/56/97/61/558569761.db2.gz PQYULVVNFBIDOD-UHFFFAOYSA-N 1 0 402.743 5.574 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000013686878 558570154 /nfs/dbraw/zinc/57/01/54/558570154.db2.gz SECHNLXDFGYFOW-HNAYVOBHSA-N 1 0 406.382 5.307 50 0 HKAARO CC(C)OCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013722090 558582473 /nfs/dbraw/zinc/58/24/73/558582473.db2.gz CPQNGXLZGMSYTG-UHFFFAOYSA-N 1 0 405.369 5.901 50 0 HKAARO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729651 558585863 /nfs/dbraw/zinc/58/58/63/558585863.db2.gz MITLEXJGXUYDRX-UHFFFAOYSA-N 1 0 421.545 5.056 50 0 HKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000013759374 558590965 /nfs/dbraw/zinc/59/09/65/558590965.db2.gz WHZYEDGTWVFQTK-TUACAJSNSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000013759377 558591024 /nfs/dbraw/zinc/59/10/24/558591024.db2.gz WHZYEDGTWVFQTK-AGILITTLSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000013770213 558591719 /nfs/dbraw/zinc/59/17/19/558591719.db2.gz SCUTXQRXFFYAIA-WUMKDDEVSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000013770217 558591741 /nfs/dbraw/zinc/59/17/41/558591741.db2.gz SCUTXQRXFFYAIA-CTUHWIOQSA-N 1 0 415.961 5.226 50 0 HKAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccc(C2CCCCC2)cc1 ZINC000013770329 558591728 /nfs/dbraw/zinc/59/17/28/558591728.db2.gz RAUNVSJNCXHEIG-UHFFFAOYSA-N 1 0 403.521 5.459 50 0 HKAARO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000013778148 558592823 /nfs/dbraw/zinc/59/28/23/558592823.db2.gz GLHGQZPOQWRWTJ-TUACAJSNSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000013778150 558592932 /nfs/dbraw/zinc/59/29/32/558592932.db2.gz GLHGQZPOQWRWTJ-AGILITTLSA-N 1 0 415.961 5.226 50 0 HKAARO COc1ccc(-c2c[n+](CC(=O)c3ccc(C4CCCCC4)cc3)c3n2CCC3)cc1 ZINC000013778238 558592937 /nfs/dbraw/zinc/59/29/37/558592937.db2.gz DYDPPIOTZBBMAF-UHFFFAOYSA-N 1 0 415.557 5.328 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2c(Br)cccc12 ZINC000013847619 558597855 /nfs/dbraw/zinc/59/78/55/558597855.db2.gz SCMJWYHYYUZJOB-UHFFFAOYSA-N 1 0 423.354 5.841 50 0 HKAARO c1ccc(C[NH+]2CCC(CCNc3cc4c(nn3)-c3ccccc3CCC4)CC2)cc1 ZINC000013863628 581091187 /nfs/dbraw/zinc/09/11/87/581091187.db2.gz ATHZIFFSGSWIAU-UHFFFAOYSA-N 1 0 412.581 5.347 50 0 HKAARO O=C1C2=C(CCCC2)[C@H]([NH2+]C2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000013898340 558600755 /nfs/dbraw/zinc/60/07/55/558600755.db2.gz ACYBWKOVTBJQAQ-AREMUKBSSA-N 1 0 408.630 6.488 50 0 HKAARO O=C1C2=C(CCCC2)[C@@H]([NH2+]C2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000013898343 558600774 /nfs/dbraw/zinc/60/07/74/558600774.db2.gz ACYBWKOVTBJQAQ-SANMLTNESA-N 1 0 408.630 6.488 50 0 HKAARO C[NH+](C)[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000013917596 569258273 /nfs/dbraw/zinc/25/82/73/569258273.db2.gz RVCDIGZZCIKTFM-PCCBWWKXSA-N 1 0 405.460 5.724 50 0 HKAARO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=[NH+]2 ZINC000014017546 559143361 /nfs/dbraw/zinc/14/33/61/559143361.db2.gz XUAXIACJGKLHHN-VWLOTQADSA-N 1 0 404.517 5.826 50 0 HKAARO Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=[NH+]2 ZINC000014017549 559143372 /nfs/dbraw/zinc/14/33/72/559143372.db2.gz XUAXIACJGKLHHN-RUZDIDTESA-N 1 0 404.517 5.826 50 0 HKAARO C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075428 559148897 /nfs/dbraw/zinc/14/88/97/559148897.db2.gz RAHRZHHUSUJOLR-SJLPKXTDSA-N 1 0 419.550 5.099 50 0 HKAARO c1csc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCCC2)c1 ZINC000014123226 558622715 /nfs/dbraw/zinc/62/27/15/558622715.db2.gz LWAYAMNQVUGDOM-FQEVSTJZSA-N 1 0 401.539 5.002 50 0 HKAARO c1csc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCCC2)c1 ZINC000014123229 558622685 /nfs/dbraw/zinc/62/26/85/558622685.db2.gz LWAYAMNQVUGDOM-HXUWFJFHSA-N 1 0 401.539 5.002 50 0 HKAARO C[NH+](C)Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 ZINC000014159996 558626142 /nfs/dbraw/zinc/62/61/42/558626142.db2.gz ZNKXRSAXKRCBPT-UHFFFAOYSA-N 1 0 403.507 5.403 50 0 HKAARO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014160056 559154271 /nfs/dbraw/zinc/15/42/71/559154271.db2.gz BJXJWFCVTOYHJQ-DBXWQHBBSA-N 1 0 409.599 5.131 50 0 HKAARO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014160063 559154242 /nfs/dbraw/zinc/15/42/42/559154242.db2.gz BJXJWFCVTOYHJQ-WAOWUJCRSA-N 1 0 409.599 5.131 50 0 HKAARO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014183599 558629407 /nfs/dbraw/zinc/62/94/07/558629407.db2.gz JSBKMORFMYPAGM-MRXNPFEDSA-N 1 0 415.562 5.381 50 0 HKAARO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014183600 558629411 /nfs/dbraw/zinc/62/94/11/558629411.db2.gz JSBKMORFMYPAGM-INIZCTEOSA-N 1 0 415.562 5.381 50 0 HKAARO C[C@H](NC(=O)[C@H](C)[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000014183684 558629401 /nfs/dbraw/zinc/62/94/01/558629401.db2.gz QVMKACNLTBORMR-NPPFBWRTSA-N 1 0 417.578 5.217 50 0 HKAARO C[C@H](NC(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000014183686 558629404 /nfs/dbraw/zinc/62/94/04/558629404.db2.gz QVMKACNLTBORMR-SPEDKVCISA-N 1 0 417.578 5.217 50 0 HKAARO Cc1ccc(NC(=O)[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000014199166 558635135 /nfs/dbraw/zinc/63/51/35/558635135.db2.gz NDZSAJKHOMXOHV-SANMLTNESA-N 1 0 413.565 5.060 50 0 HKAARO Cc1ccc(NC(=O)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000014199167 558635130 /nfs/dbraw/zinc/63/51/30/558635130.db2.gz NDZSAJKHOMXOHV-AREMUKBSSA-N 1 0 413.565 5.060 50 0 HKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000014880012 560884522 /nfs/dbraw/zinc/88/45/22/560884522.db2.gz FWDQVBOCRQEFNL-UPVQGACJSA-N 1 0 422.638 5.500 50 0 HKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000014880014 560884661 /nfs/dbraw/zinc/88/46/61/560884661.db2.gz FWDQVBOCRQEFNL-LADGPHEKSA-N 1 0 422.638 5.500 50 0 HKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000014880016 560884772 /nfs/dbraw/zinc/88/47/72/560884772.db2.gz FWDQVBOCRQEFNL-VWNXMTODSA-N 1 0 422.638 5.500 50 0 HKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000014880017 560884775 /nfs/dbraw/zinc/88/47/75/560884775.db2.gz FWDQVBOCRQEFNL-ISKFKSNPSA-N 1 0 422.638 5.500 50 0 HKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000014949405 558680484 /nfs/dbraw/zinc/68/04/84/558680484.db2.gz YOSPKNRGUJUSOO-HXUWFJFHSA-N 1 0 423.516 6.324 50 0 HKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000014949407 558680532 /nfs/dbraw/zinc/68/05/32/558680532.db2.gz YOSPKNRGUJUSOO-FQEVSTJZSA-N 1 0 423.516 6.324 50 0 HKAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@H](C)c2cn(C)nc2C)c(C)s1 ZINC000014950052 558680850 /nfs/dbraw/zinc/68/08/50/558680850.db2.gz ZAQNYGCVQXUUPY-OAHLLOKOSA-N 1 0 423.561 5.249 50 0 HKAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@@H](C)c2cn(C)nc2C)c(C)s1 ZINC000014950055 558680704 /nfs/dbraw/zinc/68/07/04/558680704.db2.gz ZAQNYGCVQXUUPY-HNNXBMFYSA-N 1 0 423.561 5.249 50 0 HKAARO Fc1ccc(-n2cc(C[NH2+]CCc3cscn3)c(-c3ccccc3Cl)n2)cc1 ZINC000014950167 558680821 /nfs/dbraw/zinc/68/08/21/558680821.db2.gz IZNYUIVOOBXWIJ-UHFFFAOYSA-N 1 0 412.921 5.121 50 0 HKAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2ccsc2)cc1 ZINC000014953801 558681774 /nfs/dbraw/zinc/68/17/74/558681774.db2.gz YPWBVLBNSYSBJW-UHFFFAOYSA-N 1 0 407.514 5.381 50 0 HKAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954186 558681800 /nfs/dbraw/zinc/68/18/00/558681800.db2.gz OAZHMMFEGYLJFE-INIZCTEOSA-N 1 0 406.448 5.058 50 0 HKAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954190 558681606 /nfs/dbraw/zinc/68/16/06/558681606.db2.gz OAZHMMFEGYLJFE-MRXNPFEDSA-N 1 0 406.448 5.058 50 0 HKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000014954270 558681637 /nfs/dbraw/zinc/68/16/37/558681637.db2.gz MLTCYVZPZAVKAV-UHFFFAOYSA-N 1 0 420.940 5.563 50 0 HKAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954575 558681883 /nfs/dbraw/zinc/68/18/83/558681883.db2.gz VSEUWCKCOKGWFP-HSZRJFAPSA-N 1 0 419.569 5.338 50 0 HKAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954579 558681947 /nfs/dbraw/zinc/68/19/47/558681947.db2.gz VSEUWCKCOKGWFP-QHCPKHFHSA-N 1 0 419.569 5.338 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954598 558681969 /nfs/dbraw/zinc/68/19/69/558681969.db2.gz BYBHKQVRAXOEDJ-HXUWFJFHSA-N 1 0 406.526 5.355 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954602 558681988 /nfs/dbraw/zinc/68/19/88/558681988.db2.gz BYBHKQVRAXOEDJ-FQEVSTJZSA-N 1 0 406.526 5.355 50 0 HKAARO COc1ccc(NC(=O)CCC2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c(OC)c1 ZINC000014958720 558683058 /nfs/dbraw/zinc/68/30/58/558683058.db2.gz ZPLZLAUJRVMPQC-FQEVSTJZSA-N 1 0 424.585 5.156 50 0 HKAARO COc1ccc(NC(=O)CCC2CC[NH+]([C@H](C)CCc3ccccc3)CC2)c(OC)c1 ZINC000014958724 558683152 /nfs/dbraw/zinc/68/31/52/558683152.db2.gz ZPLZLAUJRVMPQC-HXUWFJFHSA-N 1 0 424.585 5.156 50 0 HKAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)s1 ZINC000014959099 558683289 /nfs/dbraw/zinc/68/32/89/558683289.db2.gz YSYYWVHGWLJQID-UHFFFAOYSA-N 1 0 422.598 5.052 50 0 HKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000014959586 558683513 /nfs/dbraw/zinc/68/35/13/558683513.db2.gz SYATVXJMYHRRLG-UHFFFAOYSA-N 1 0 420.940 5.563 50 0 HKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1 ZINC000014960886 558684144 /nfs/dbraw/zinc/68/41/44/558684144.db2.gz JXUGOYMAFPHIOQ-UHFFFAOYSA-N 1 0 408.473 5.370 50 0 HKAARO CSCCC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000014961802 558684259 /nfs/dbraw/zinc/68/42/59/558684259.db2.gz LBEJHOBRTGOGDF-UHFFFAOYSA-N 1 0 402.535 5.022 50 0 HKAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1OC ZINC000014962216 558684583 /nfs/dbraw/zinc/68/45/83/558684583.db2.gz MGAKNPMPBZHIFN-HXUWFJFHSA-N 1 0 405.542 5.001 50 0 HKAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1OC ZINC000014962219 558684507 /nfs/dbraw/zinc/68/45/07/558684507.db2.gz MGAKNPMPBZHIFN-FQEVSTJZSA-N 1 0 405.542 5.001 50 0 HKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000014966219 558685594 /nfs/dbraw/zinc/68/55/94/558685594.db2.gz YEIQVDDAQYZDAC-UHFFFAOYSA-N 1 0 400.522 5.213 50 0 HKAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1)c1ccco1 ZINC000014966504 568488393 /nfs/dbraw/zinc/48/83/93/568488393.db2.gz YDFYGRYHQSNITC-KRWDZBQOSA-N 1 0 404.535 5.290 50 0 HKAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1)c1ccco1 ZINC000014966509 568488228 /nfs/dbraw/zinc/48/82/28/568488228.db2.gz YDFYGRYHQSNITC-QGZVFWFLSA-N 1 0 404.535 5.290 50 0 HKAARO CCn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1C ZINC000014967604 558686366 /nfs/dbraw/zinc/68/63/66/558686366.db2.gz GVHOANAPXSSHDS-UHFFFAOYSA-N 1 0 416.569 5.038 50 0 HKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cccnc2C)C2CCCC2)CC1 ZINC000014968627 558686505 /nfs/dbraw/zinc/68/65/05/558686505.db2.gz KOWNKSFXWLNZNO-UHFFFAOYSA-N 1 0 419.613 5.038 50 0 HKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000014970090 558687028 /nfs/dbraw/zinc/68/70/28/558687028.db2.gz FNERPXAFOGRTOK-UHFFFAOYSA-N 1 0 418.990 5.117 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccsc3)C2)cc1 ZINC000014970980 558687382 /nfs/dbraw/zinc/68/73/82/558687382.db2.gz PSHYABPKAJDXHL-HXUWFJFHSA-N 1 0 406.551 5.274 50 0 HKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccsc3)C2)cc1 ZINC000014970984 558687365 /nfs/dbraw/zinc/68/73/65/558687365.db2.gz PSHYABPKAJDXHL-FQEVSTJZSA-N 1 0 406.551 5.274 50 0 HKAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Nc1ccc(F)cc1F ZINC000014973781 558688487 /nfs/dbraw/zinc/68/84/87/558688487.db2.gz NDPZYTASIISHLO-KRWDZBQOSA-N 1 0 421.919 5.037 50 0 HKAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Nc1ccc(F)cc1F ZINC000014973786 558688476 /nfs/dbraw/zinc/68/84/76/558688476.db2.gz NDPZYTASIISHLO-QGZVFWFLSA-N 1 0 421.919 5.037 50 0 HKAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000014976056 558689296 /nfs/dbraw/zinc/68/92/96/558689296.db2.gz HLJOUVJJAHXXAP-FQEVSTJZSA-N 1 0 421.614 5.041 50 0 HKAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000014976058 558689221 /nfs/dbraw/zinc/68/92/21/558689221.db2.gz HLJOUVJJAHXXAP-HXUWFJFHSA-N 1 0 421.614 5.041 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977090 558689777 /nfs/dbraw/zinc/68/97/77/558689777.db2.gz GVEGCEJZIMMYGS-QGZVFWFLSA-N 1 0 412.917 5.310 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977093 558689788 /nfs/dbraw/zinc/68/97/88/558689788.db2.gz GVEGCEJZIMMYGS-KRWDZBQOSA-N 1 0 412.917 5.310 50 0 HKAARO O=C(CC1=CCCCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000014980185 558690768 /nfs/dbraw/zinc/69/07/68/558690768.db2.gz ZNRWZCTZZQNZNA-XMMPIXPASA-N 1 0 409.618 5.345 50 0 HKAARO O=C(CC1=CCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000014980189 558690957 /nfs/dbraw/zinc/69/09/57/558690957.db2.gz ZNRWZCTZZQNZNA-DEOSSOPVSA-N 1 0 409.618 5.345 50 0 HKAARO O=C(CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)NCc1ccc(F)cc1 ZINC000014981065 558691301 /nfs/dbraw/zinc/69/13/01/558691301.db2.gz CZXOBYBORJPQOS-UHFFFAOYSA-N 1 0 422.466 5.153 50 0 HKAARO Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)C(C)C)c1 ZINC000014981196 558691733 /nfs/dbraw/zinc/69/17/33/558691733.db2.gz LWKSMMHGPALQIF-UHFFFAOYSA-N 1 0 403.570 5.065 50 0 HKAARO COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2C[NH2+]C2CCCC2)c1 ZINC000014981379 558692004 /nfs/dbraw/zinc/69/20/04/558692004.db2.gz BWOAFIAAMNKLEC-UHFFFAOYSA-N 1 0 408.567 5.673 50 0 HKAARO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]CCc2ccccc2)OCO4)cc1 ZINC000014982150 558692224 /nfs/dbraw/zinc/69/22/24/558692224.db2.gz UAHRBOVURATBJI-UHFFFAOYSA-N 1 0 400.453 5.102 50 0 HKAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1)C1CCCC1 ZINC000014986956 132460814 /nfs/dbraw/zinc/46/08/14/132460814.db2.gz YHVIUHRYDIKOID-UHFFFAOYSA-N 1 0 416.569 5.055 50 0 HKAARO O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014989200 558693715 /nfs/dbraw/zinc/69/37/15/558693715.db2.gz DFVDCYAFHGBOPU-RPBOFIJWSA-N 1 0 414.549 5.116 50 0 HKAARO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000014991985 558694846 /nfs/dbraw/zinc/69/48/46/558694846.db2.gz ZGXUZZKZDCEZCU-IRLDBZIGSA-N 1 0 416.487 5.027 50 0 HKAARO C[N@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992218 558694819 /nfs/dbraw/zinc/69/48/19/558694819.db2.gz IVYHEHSYOAPRDM-QFIPXVFZSA-N 1 0 423.944 5.008 50 0 HKAARO C[N@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992221 558694775 /nfs/dbraw/zinc/69/47/75/558694775.db2.gz IVYHEHSYOAPRDM-JOCHJYFZSA-N 1 0 423.944 5.008 50 0 HKAARO Cn1c2cc(Cl)ccc2cc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1=O ZINC000014994495 558695794 /nfs/dbraw/zinc/69/57/94/558695794.db2.gz KOKIKBGTXYXLEZ-UHFFFAOYSA-N 1 0 402.925 5.114 50 0 HKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995220 558695742 /nfs/dbraw/zinc/69/57/42/558695742.db2.gz LYNDZWSFSIWDML-GOSISDBHSA-N 1 0 411.933 5.127 50 0 HKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995222 558695886 /nfs/dbraw/zinc/69/58/86/558695886.db2.gz LYNDZWSFSIWDML-SFHVURJKSA-N 1 0 411.933 5.127 50 0 HKAARO COc1cccc(CC[NH2+]Cc2cc3ccc(OC)cc3nc2-c2ccsc2)c1 ZINC000014996116 558696150 /nfs/dbraw/zinc/69/61/50/558696150.db2.gz DCIMZMCQWXGBLI-UHFFFAOYSA-N 1 0 404.535 5.313 50 0 HKAARO Fc1ccccc1CC[NH2+]Cc1cc2cc3c(cc2nc1-c1ccsc1)OCO3 ZINC000014998168 558696773 /nfs/dbraw/zinc/69/67/73/558696773.db2.gz CGQWBPBWTODMHC-UHFFFAOYSA-N 1 0 406.482 5.163 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000015001307 558697910 /nfs/dbraw/zinc/69/79/10/558697910.db2.gz PVNDHIRRUCEZMJ-UPVQGACJSA-N 1 0 406.614 5.073 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000015001310 558697869 /nfs/dbraw/zinc/69/78/69/558697869.db2.gz PVNDHIRRUCEZMJ-LADGPHEKSA-N 1 0 406.614 5.073 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000015001312 558697912 /nfs/dbraw/zinc/69/79/12/558697912.db2.gz PVNDHIRRUCEZMJ-VWNXMTODSA-N 1 0 406.614 5.073 50 0 HKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000015001315 558697900 /nfs/dbraw/zinc/69/79/00/558697900.db2.gz PVNDHIRRUCEZMJ-ISKFKSNPSA-N 1 0 406.614 5.073 50 0 HKAARO Cc1ccc2c(c1)cc(C[NH2+][C@@H]1CCOC(C)(C)C1)c(=O)n2Cc1ccccc1Cl ZINC000015002835 558698364 /nfs/dbraw/zinc/69/83/64/558698364.db2.gz CXGUEGOCSCJJQK-OAQYLSRUSA-N 1 0 424.972 5.059 50 0 HKAARO Cc1ccc2c(c1)cc(C[NH2+][C@H]1CCOC(C)(C)C1)c(=O)n2Cc1ccccc1Cl ZINC000015002838 558698362 /nfs/dbraw/zinc/69/83/62/558698362.db2.gz CXGUEGOCSCJJQK-NRFANRHFSA-N 1 0 424.972 5.059 50 0 HKAARO Fc1ccc(C[NH2+]Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)cc1 ZINC000015003070 558698331 /nfs/dbraw/zinc/69/83/31/558698331.db2.gz KAWRFSJRXFVAEV-UHFFFAOYSA-N 1 0 404.416 5.199 50 0 HKAARO CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000015005543 558699104 /nfs/dbraw/zinc/69/91/04/558699104.db2.gz YGSKSPGDOIAIDV-JOCHJYFZSA-N 1 0 410.583 5.048 50 0 HKAARO CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000015005545 558699100 /nfs/dbraw/zinc/69/91/00/558699100.db2.gz YGSKSPGDOIAIDV-QFIPXVFZSA-N 1 0 410.583 5.048 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015062110 558705059 /nfs/dbraw/zinc/70/50/59/558705059.db2.gz JMOHCDPSIBGHGQ-JOCHJYFZSA-N 1 0 409.553 5.209 50 0 HKAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015062112 558705165 /nfs/dbraw/zinc/70/51/65/558705165.db2.gz JMOHCDPSIBGHGQ-QFIPXVFZSA-N 1 0 409.553 5.209 50 0 HKAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@H](C)c3cnn(-c4ccc(F)cc4F)c3C)c2)n1 ZINC000015062324 558705450 /nfs/dbraw/zinc/70/54/50/558705450.db2.gz OARCOCZWKMLVJA-QGZVFWFLSA-N 1 0 421.495 5.112 50 0 HKAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4F)c3C)c2)n1 ZINC000015062326 558705384 /nfs/dbraw/zinc/70/53/84/558705384.db2.gz OARCOCZWKMLVJA-KRWDZBQOSA-N 1 0 421.495 5.112 50 0 HKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1 ZINC000015062959 558705701 /nfs/dbraw/zinc/70/57/01/558705701.db2.gz BONYJBMUEBWUIM-SFHVURJKSA-N 1 0 400.538 5.029 50 0 HKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1 ZINC000015062961 558705653 /nfs/dbraw/zinc/70/56/53/558705653.db2.gz BONYJBMUEBWUIM-GOSISDBHSA-N 1 0 400.538 5.029 50 0 HKAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063056 558705690 /nfs/dbraw/zinc/70/56/90/558705690.db2.gz VFMINYFDUZNYAN-JOCHJYFZSA-N 1 0 405.542 5.006 50 0 HKAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063058 558705626 /nfs/dbraw/zinc/70/56/26/558705626.db2.gz VFMINYFDUZNYAN-QFIPXVFZSA-N 1 0 405.542 5.006 50 0 HKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063438 558706163 /nfs/dbraw/zinc/70/61/63/558706163.db2.gz KFZFWBMZRBICPA-INIZCTEOSA-N 1 0 406.979 5.349 50 0 HKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063439 558706099 /nfs/dbraw/zinc/70/60/99/558706099.db2.gz KFZFWBMZRBICPA-MRXNPFEDSA-N 1 0 406.979 5.349 50 0 HKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000015063963 558706655 /nfs/dbraw/zinc/70/66/55/558706655.db2.gz UPMVMZMPVGDOFH-SFHVURJKSA-N 1 0 409.492 5.250 50 0 HKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000015063964 558706666 /nfs/dbraw/zinc/70/66/66/558706666.db2.gz UPMVMZMPVGDOFH-GOSISDBHSA-N 1 0 409.492 5.250 50 0 HKAARO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cnn1-c1cccc2ccccc21 ZINC000015064319 558707219 /nfs/dbraw/zinc/70/72/19/558707219.db2.gz LFIJYJNRIYBDKS-LJQANCHMSA-N 1 0 421.548 5.585 50 0 HKAARO Cc1c([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cnn1-c1cccc2ccccc21 ZINC000015064320 558707280 /nfs/dbraw/zinc/70/72/80/558707280.db2.gz LFIJYJNRIYBDKS-IBGZPJMESA-N 1 0 421.548 5.585 50 0 HKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CCC(F)(F)F)C2CCCC2)CC1 ZINC000015064925 558707832 /nfs/dbraw/zinc/70/78/32/558707832.db2.gz VRUJGYPZSYWHEB-UHFFFAOYSA-N 1 0 424.551 5.363 50 0 HKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)c2)c1 ZINC000015064972 558707810 /nfs/dbraw/zinc/70/78/10/558707810.db2.gz JEKJISOEIWAEPW-UHFFFAOYSA-N 1 0 418.512 5.352 50 0 HKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065274 558708364 /nfs/dbraw/zinc/70/83/64/558708364.db2.gz VHTXMHGPTHODFX-IBGZPJMESA-N 1 0 406.526 5.381 50 0 HKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065275 558708411 /nfs/dbraw/zinc/70/84/11/558708411.db2.gz VHTXMHGPTHODFX-LJQANCHMSA-N 1 0 406.526 5.381 50 0 HKAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000015065614 558708572 /nfs/dbraw/zinc/70/85/72/558708572.db2.gz UHQGRYFCWPXUMP-UHFFFAOYSA-N 1 0 422.960 5.188 50 0 HKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000015065794 558708613 /nfs/dbraw/zinc/70/86/13/558708613.db2.gz ZPVYXENQDZCWLL-UHFFFAOYSA-N 1 0 404.485 5.049 50 0 HKAARO CC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1)c1ccncc1 ZINC000015066550 558709501 /nfs/dbraw/zinc/70/95/01/558709501.db2.gz ZZGMUVHAGABPFU-XMMPIXPASA-N 1 0 400.501 5.623 50 0 HKAARO CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1)c1ccncc1 ZINC000015066551 558709465 /nfs/dbraw/zinc/70/94/65/558709465.db2.gz ZZGMUVHAGABPFU-DEOSSOPVSA-N 1 0 400.501 5.623 50 0 HKAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 ZINC000015067734 558710438 /nfs/dbraw/zinc/71/04/38/558710438.db2.gz BXONTWVDJDGKAT-UHFFFAOYSA-N 1 0 415.537 5.203 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc(OC)c1 ZINC000015067880 558710704 /nfs/dbraw/zinc/71/07/04/558710704.db2.gz AYWYSQZEIGUNHP-KRWDZBQOSA-N 1 0 401.510 5.202 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc(OC)c1 ZINC000015067882 558710640 /nfs/dbraw/zinc/71/06/40/558710640.db2.gz AYWYSQZEIGUNHP-QGZVFWFLSA-N 1 0 401.510 5.202 50 0 HKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000015067995 558710585 /nfs/dbraw/zinc/71/05/85/558710585.db2.gz LYQMQJMEYHQXGV-UHFFFAOYSA-N 1 0 400.522 5.213 50 0 HKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+]Cc2cccs2)c1 ZINC000015069181 558711724 /nfs/dbraw/zinc/71/17/24/558711724.db2.gz UYSMONGMKDMOOA-UHFFFAOYSA-N 1 0 420.534 5.279 50 0 HKAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3ccc(Cl)s3)CC2)c(OC)c1 ZINC000015070038 558712113 /nfs/dbraw/zinc/71/21/13/558712113.db2.gz ZIGFSFDMNFRGBF-UHFFFAOYSA-N 1 0 422.978 5.050 50 0 HKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015071004 558712811 /nfs/dbraw/zinc/71/28/11/558712811.db2.gz RSLCBKHGVLYSNQ-UHFFFAOYSA-N 1 0 411.958 5.314 50 0 HKAARO Fc1cccc(CC[NH2+]Cc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)c1 ZINC000015071414 558713031 /nfs/dbraw/zinc/71/30/31/558713031.db2.gz OUHZRLQHJQGFBR-UHFFFAOYSA-N 1 0 406.482 5.163 50 0 HKAARO Cc1occc1C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000015072711 558713853 /nfs/dbraw/zinc/71/38/53/558713853.db2.gz NGXSLPSEUKWCNP-UHFFFAOYSA-N 1 0 408.586 5.236 50 0 HKAARO CC1(C)CCC[C@@H]([NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)C1 ZINC000015072980 558714003 /nfs/dbraw/zinc/71/40/03/558714003.db2.gz QFJZCFOQBLFBPL-JOCHJYFZSA-N 1 0 408.590 5.060 50 0 HKAARO CC1(C)CCC[C@H]([NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)C1 ZINC000015072982 558714011 /nfs/dbraw/zinc/71/40/11/558714011.db2.gz QFJZCFOQBLFBPL-QFIPXVFZSA-N 1 0 408.590 5.060 50 0 HKAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000015072987 558714007 /nfs/dbraw/zinc/71/40/07/558714007.db2.gz KNUGUFFDCIZISS-UHFFFAOYSA-N 1 0 410.521 5.081 50 0 HKAARO Fc1cc(F)cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000015073065 558713987 /nfs/dbraw/zinc/71/39/87/558713987.db2.gz LGCPGTIGHOXRTM-NRFANRHFSA-N 1 0 413.556 5.407 50 0 HKAARO Fc1cc(F)cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000015073067 558713910 /nfs/dbraw/zinc/71/39/10/558713910.db2.gz LGCPGTIGHOXRTM-OAQYLSRUSA-N 1 0 413.556 5.407 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000015074208 568749377 /nfs/dbraw/zinc/74/93/77/568749377.db2.gz KUFZFHSGGGFUBB-IBGZPJMESA-N 1 0 405.517 5.313 50 0 HKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000015074209 568749435 /nfs/dbraw/zinc/74/94/35/568749435.db2.gz KUFZFHSGGGFUBB-LJQANCHMSA-N 1 0 405.517 5.313 50 0 HKAARO CCOc1ccccc1-c1nc(C[NH+]2CCC(OCc3ccccc3)CC2)c(C)o1 ZINC000015075301 558715780 /nfs/dbraw/zinc/71/57/80/558715780.db2.gz KUPDQFGAMBOHJD-UHFFFAOYSA-N 1 0 406.526 5.230 50 0 HKAARO Cc1ccc(C[NH+]2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)o1 ZINC000015076788 558716962 /nfs/dbraw/zinc/71/69/62/558716962.db2.gz WSRJSYCVULESIY-UHFFFAOYSA-N 1 0 408.586 5.062 50 0 HKAARO CC[N@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000015076803 558716815 /nfs/dbraw/zinc/71/68/15/558716815.db2.gz BCUHSDQLXHAACL-UHFFFAOYSA-N 1 0 423.561 5.112 50 0 HKAARO COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076855 558716799 /nfs/dbraw/zinc/71/67/99/558716799.db2.gz DWWWSKTWWLSONO-OAQYLSRUSA-N 1 0 420.553 5.655 50 0 HKAARO COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076857 558716849 /nfs/dbraw/zinc/71/68/49/558716849.db2.gz DWWWSKTWWLSONO-NRFANRHFSA-N 1 0 420.553 5.655 50 0 HKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)c(C)c1 ZINC000015077229 558716773 /nfs/dbraw/zinc/71/67/73/558716773.db2.gz QVCNMSREOZAKNI-FQEVSTJZSA-N 1 0 419.569 5.126 50 0 HKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)c(C)c1 ZINC000015077231 558716784 /nfs/dbraw/zinc/71/67/84/558716784.db2.gz QVCNMSREOZAKNI-HXUWFJFHSA-N 1 0 419.569 5.126 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)ccc21 ZINC000015079128 558718137 /nfs/dbraw/zinc/71/81/37/558718137.db2.gz MGAZVJMPPWSLBT-NRFANRHFSA-N 1 0 417.597 5.429 50 0 HKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)ccc21 ZINC000015079130 558718087 /nfs/dbraw/zinc/71/80/87/558718087.db2.gz MGAZVJMPPWSLBT-OAQYLSRUSA-N 1 0 417.597 5.429 50 0 HKAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083160 558719782 /nfs/dbraw/zinc/71/97/82/558719782.db2.gz INCKQJKAEPCBFS-HXUWFJFHSA-N 1 0 415.562 5.828 50 0 HKAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083162 558719765 /nfs/dbraw/zinc/71/97/65/558719765.db2.gz INCKQJKAEPCBFS-FQEVSTJZSA-N 1 0 415.562 5.828 50 0 HKAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)CCCC1 ZINC000015231028 558729247 /nfs/dbraw/zinc/72/92/47/558729247.db2.gz RPGHBQDZFKZBFD-DEOSSOPVSA-N 1 0 422.657 6.157 50 0 HKAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)CCCC1 ZINC000015231029 558729242 /nfs/dbraw/zinc/72/92/42/558729242.db2.gz RPGHBQDZFKZBFD-XMMPIXPASA-N 1 0 422.657 6.157 50 0 HKAARO COc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)[NH+](C)C)c23)cc1 ZINC000015346023 558734817 /nfs/dbraw/zinc/73/48/17/558734817.db2.gz PZZBWJYZYPMAPK-HXUWFJFHSA-N 1 0 404.539 5.082 50 0 HKAARO COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4)[NH+](C)C)c23)cc1 ZINC000015346026 558734888 /nfs/dbraw/zinc/73/48/88/558734888.db2.gz PZZBWJYZYPMAPK-FQEVSTJZSA-N 1 0 404.539 5.082 50 0 HKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c23)cc1 ZINC000015346309 558734859 /nfs/dbraw/zinc/73/48/59/558734859.db2.gz NKVKYJXOIZZEDT-UHFFFAOYSA-N 1 0 420.969 5.334 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000015449132 569028939 /nfs/dbraw/zinc/02/89/39/569028939.db2.gz XYNPYHXGMWJBLV-XWEQGMHSSA-N 1 0 415.662 5.367 50 0 HKAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000015669124 568960812 /nfs/dbraw/zinc/96/08/12/568960812.db2.gz LFRWRHSPEXUMJZ-UHFFFAOYSA-N 1 0 404.558 5.202 50 0 HKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3noc4c3CSc3ccccc3-4)cc2)CC1 ZINC000015674047 568962962 /nfs/dbraw/zinc/96/29/62/568962962.db2.gz VYSDJXONZHACPC-UHFFFAOYSA-N 1 0 419.550 5.432 50 0 HKAARO CCC[NH+](CCC)CCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000015678418 568966319 /nfs/dbraw/zinc/96/63/19/568966319.db2.gz LTZKLZUEAURRFL-UHFFFAOYSA-N 1 0 419.613 5.169 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2Br)CC1 ZINC000015679756 568966823 /nfs/dbraw/zinc/96/68/23/568966823.db2.gz GAXAROPFNUEWOM-UHFFFAOYSA-N 1 0 422.392 5.029 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cccc(Br)c2)CC1 ZINC000015679759 568966868 /nfs/dbraw/zinc/96/68/68/568966868.db2.gz ALNYZPFVVBUOGN-UHFFFAOYSA-N 1 0 422.392 5.029 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000015679762 568966754 /nfs/dbraw/zinc/96/67/54/568966754.db2.gz LLIVLVRLCSRREM-UHFFFAOYSA-N 1 0 422.392 5.029 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000015679764 568966812 /nfs/dbraw/zinc/96/68/12/568966812.db2.gz YCIROMKHJIBYCC-UHFFFAOYSA-N 1 0 411.493 5.285 50 0 HKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000015679771 568966893 /nfs/dbraw/zinc/96/68/93/568966893.db2.gz MAGFNXDTXVQEMB-UHFFFAOYSA-N 1 0 411.493 5.285 50 0 HKAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015679800 568966805 /nfs/dbraw/zinc/96/68/05/568966805.db2.gz NNHUDLHDIJHMHO-UHFFFAOYSA-N 1 0 407.892 5.137 50 0 HKAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000015682225 568968478 /nfs/dbraw/zinc/96/84/78/568968478.db2.gz CNDBGMVXHWYZKC-UHFFFAOYSA-N 1 0 423.582 5.014 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732314 568982439 /nfs/dbraw/zinc/98/24/39/568982439.db2.gz DETSMOWQADTOFX-UHFFFAOYSA-N 1 0 415.562 5.086 50 0 HKAARO COc1ccc(-c2nc3ccccc3c(NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000015781566 569002814 /nfs/dbraw/zinc/00/28/14/569002814.db2.gz QZUBDWWXXLALSV-UHFFFAOYSA-N 1 0 424.548 5.382 50 0 HKAARO CC[N@H+](CCNc1nc(-c2ccc(OC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000015781630 569002744 /nfs/dbraw/zinc/00/27/44/569002744.db2.gz KPSUTWBUVGSRJE-UHFFFAOYSA-N 1 0 412.537 5.239 50 0 HKAARO [NH3+][C@@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840355 558756709 /nfs/dbraw/zinc/75/67/09/558756709.db2.gz NDHNCJKBQJOWDB-QFIPXVFZSA-N 1 0 405.567 5.140 50 0 HKAARO [NH3+][C@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840357 558756757 /nfs/dbraw/zinc/75/67/57/558756757.db2.gz NDHNCJKBQJOWDB-JOCHJYFZSA-N 1 0 405.567 5.140 50 0 HKAARO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015859094 569015067 /nfs/dbraw/zinc/01/50/67/569015067.db2.gz SIMZLKDINMSJED-UHFFFAOYSA-N 1 0 420.944 5.279 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859295 569015072 /nfs/dbraw/zinc/01/50/72/569015072.db2.gz FKRHKQVXPFWJRT-QHCPKHFHSA-N 1 0 400.478 5.853 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859296 569015056 /nfs/dbraw/zinc/01/50/56/569015056.db2.gz FKRHKQVXPFWJRT-HSZRJFAPSA-N 1 0 400.478 5.853 50 0 HKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000015859299 569015085 /nfs/dbraw/zinc/01/50/85/569015085.db2.gz FPSIACAGIYKLLF-DEOSSOPVSA-N 1 0 414.505 6.099 50 0 HKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000015859300 569015103 /nfs/dbraw/zinc/01/51/03/569015103.db2.gz FPSIACAGIYKLLF-XMMPIXPASA-N 1 0 414.505 6.099 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)[NH+]1CCCCC1)c1ccco1 ZINC000015859323 569015063 /nfs/dbraw/zinc/01/50/63/569015063.db2.gz PXTAPPANCVALBX-HSZRJFAPSA-N 1 0 418.468 5.993 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)c1ccco1 ZINC000015859324 569015100 /nfs/dbraw/zinc/01/51/00/569015100.db2.gz PXTAPPANCVALBX-QHCPKHFHSA-N 1 0 418.468 5.993 50 0 HKAARO Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859333 569015111 /nfs/dbraw/zinc/01/51/11/569015111.db2.gz SFMMQBRHJNTHBV-XMMPIXPASA-N 1 0 414.505 6.162 50 0 HKAARO Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859334 569015113 /nfs/dbraw/zinc/01/51/13/569015113.db2.gz SFMMQBRHJNTHBV-DEOSSOPVSA-N 1 0 414.505 6.162 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)[NH+]1CCCCC1)c1cccs1 ZINC000015859363 569015309 /nfs/dbraw/zinc/01/53/09/569015309.db2.gz MJFFHBNNFRYDCB-QHCPKHFHSA-N 1 0 416.546 6.322 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cccs1 ZINC000015859364 569015289 /nfs/dbraw/zinc/01/52/89/569015289.db2.gz MJFFHBNNFRYDCB-HSZRJFAPSA-N 1 0 416.546 6.322 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859445 569015341 /nfs/dbraw/zinc/01/53/41/569015341.db2.gz MYXJYRXFELOYIL-VWLOTQADSA-N 1 0 410.517 6.260 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859446 569015338 /nfs/dbraw/zinc/01/53/38/569015338.db2.gz MYXJYRXFELOYIL-RUZDIDTESA-N 1 0 410.517 6.260 50 0 HKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015859449 569015287 /nfs/dbraw/zinc/01/52/87/569015287.db2.gz HLIYLNBOUYSHRV-SANMLTNESA-N 1 0 424.544 6.506 50 0 HKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015859450 569015305 /nfs/dbraw/zinc/01/53/05/569015305.db2.gz HLIYLNBOUYSHRV-AREMUKBSSA-N 1 0 424.544 6.506 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859525 569015349 /nfs/dbraw/zinc/01/53/49/569015349.db2.gz YRQLIGKTYYJNDI-DEOSSOPVSA-N 1 0 411.505 5.655 50 0 HKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859526 569015335 /nfs/dbraw/zinc/01/53/35/569015335.db2.gz YRQLIGKTYYJNDI-XMMPIXPASA-N 1 0 411.505 5.655 50 0 HKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000015859563 569015317 /nfs/dbraw/zinc/01/53/17/569015317.db2.gz PGDGNMASIUSAQI-SANMLTNESA-N 1 0 424.544 6.569 50 0 HKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000015859564 569015294 /nfs/dbraw/zinc/01/52/94/569015294.db2.gz PGDGNMASIUSAQI-AREMUKBSSA-N 1 0 424.544 6.569 50 0 HKAARO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000015859753 569015299 /nfs/dbraw/zinc/01/52/99/569015299.db2.gz IJQFBYMCKOXVRB-DEOSSOPVSA-N 1 0 414.509 5.292 50 0 HKAARO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000015859754 569015291 /nfs/dbraw/zinc/01/52/91/569015291.db2.gz IJQFBYMCKOXVRB-XMMPIXPASA-N 1 0 414.509 5.292 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 ZINC000015859874 558757556 /nfs/dbraw/zinc/75/75/56/558757556.db2.gz RFIWKACKDHZJNK-SFHVURJKSA-N 1 0 415.002 5.885 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 ZINC000015859875 558757609 /nfs/dbraw/zinc/75/76/09/558757609.db2.gz RFIWKACKDHZJNK-GOSISDBHSA-N 1 0 415.002 5.885 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCCC3)no2)cc1 ZINC000015859980 558757636 /nfs/dbraw/zinc/75/76/36/558757636.db2.gz KQYWNDGUNUAKES-HXUWFJFHSA-N 1 0 409.555 5.059 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCCC3)no2)cc1 ZINC000015859981 558757629 /nfs/dbraw/zinc/75/76/29/558757629.db2.gz KQYWNDGUNUAKES-FQEVSTJZSA-N 1 0 409.555 5.059 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860203 558757957 /nfs/dbraw/zinc/75/79/57/558757957.db2.gz ZJULDQGVALWFME-HSZRJFAPSA-N 1 0 402.538 5.063 50 0 HKAARO Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860204 558757819 /nfs/dbraw/zinc/75/78/19/558757819.db2.gz ZJULDQGVALWFME-QHCPKHFHSA-N 1 0 402.538 5.063 50 0 HKAARO Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860327 558757783 /nfs/dbraw/zinc/75/77/83/558757783.db2.gz YUVCOYKDCOUTIC-DEOSSOPVSA-N 1 0 416.565 5.309 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860328 558757867 /nfs/dbraw/zinc/75/78/67/558757867.db2.gz YUVCOYKDCOUTIC-XMMPIXPASA-N 1 0 416.565 5.309 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860495 558758396 /nfs/dbraw/zinc/75/83/96/558758396.db2.gz ADESFOCSZURZTM-IBGZPJMESA-N 1 0 414.933 5.499 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860496 558758357 /nfs/dbraw/zinc/75/83/57/558758357.db2.gz ADESFOCSZURZTM-LJQANCHMSA-N 1 0 414.933 5.499 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860499 558758379 /nfs/dbraw/zinc/75/83/79/558758379.db2.gz NXOGNGLOKQXTRX-FQEVSTJZSA-N 1 0 408.542 5.462 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860500 558758363 /nfs/dbraw/zinc/75/83/63/558758363.db2.gz NXOGNGLOKQXTRX-HXUWFJFHSA-N 1 0 408.542 5.462 50 0 HKAARO Cc1ccc2c(=O)cc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1C ZINC000015862279 569015809 /nfs/dbraw/zinc/01/58/09/569015809.db2.gz SWTPTKMQYMWOBZ-UHFFFAOYSA-N 1 0 400.497 5.486 50 0 HKAARO Cc1cc(C)c2[nH]c(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862280 569015805 /nfs/dbraw/zinc/01/58/05/569015805.db2.gz BGQJUMAFZKBJSO-UHFFFAOYSA-N 1 0 400.497 5.486 50 0 HKAARO Cc1cc(C)c2c(=O)cc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1 ZINC000015862281 569015838 /nfs/dbraw/zinc/01/58/38/569015838.db2.gz CIVBXGBHMSKXNY-UHFFFAOYSA-N 1 0 400.497 5.486 50 0 HKAARO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)[nH]c2ccc(Cl)cc12 ZINC000015862282 569015794 /nfs/dbraw/zinc/01/57/94/569015794.db2.gz LNLLIRHYWBEACP-UHFFFAOYSA-N 1 0 406.888 5.523 50 0 HKAARO Cc1ccc2[nH]c(C[N@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc(=O)c2c1 ZINC000015862301 569015818 /nfs/dbraw/zinc/01/58/18/569015818.db2.gz WWWITHZYCLCYIE-UHFFFAOYSA-N 1 0 402.925 5.692 50 0 HKAARO Cc1cc(C)c2c(=O)cc(C[N@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000015862302 569015842 /nfs/dbraw/zinc/01/58/42/569015842.db2.gz WPPZBPSVXIEWEV-UHFFFAOYSA-N 1 0 416.952 6.001 50 0 HKAARO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862362 569015849 /nfs/dbraw/zinc/01/58/49/569015849.db2.gz KBYKTEVLTDRNIR-UHFFFAOYSA-N 1 0 416.496 5.268 50 0 HKAARO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000015864391 569016513 /nfs/dbraw/zinc/01/65/13/569016513.db2.gz QPYJIFVICRWXOZ-UHFFFAOYSA-N 1 0 419.544 5.345 50 0 HKAARO COC(=O)c1ccc(C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000015864851 569016626 /nfs/dbraw/zinc/01/66/26/569016626.db2.gz FOBRYYDBSWRCTJ-DEOSSOPVSA-N 1 0 417.574 5.561 50 0 HKAARO COC(=O)c1ccc(C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000015864852 569016657 /nfs/dbraw/zinc/01/66/57/569016657.db2.gz FOBRYYDBSWRCTJ-XMMPIXPASA-N 1 0 417.574 5.561 50 0 HKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](C5CCCCC5)CC4)c23)cc1 ZINC000015864917 569016652 /nfs/dbraw/zinc/01/66/52/569016652.db2.gz VUGOMRUUNUATTI-UHFFFAOYSA-N 1 0 412.990 5.466 50 0 HKAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866877 558759005 /nfs/dbraw/zinc/75/90/05/558759005.db2.gz ITOGMXDWRBGSOS-FQEVSTJZSA-N 1 0 404.539 5.543 50 0 HKAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866878 558759099 /nfs/dbraw/zinc/75/90/99/558759099.db2.gz ITOGMXDWRBGSOS-HXUWFJFHSA-N 1 0 404.539 5.543 50 0 HKAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866929 558759017 /nfs/dbraw/zinc/75/90/17/558759017.db2.gz SNBPSMYWEKWDSA-FQEVSTJZSA-N 1 0 418.566 5.797 50 0 HKAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866930 558759064 /nfs/dbraw/zinc/75/90/64/558759064.db2.gz SNBPSMYWEKWDSA-HXUWFJFHSA-N 1 0 418.566 5.797 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000015952786 558763947 /nfs/dbraw/zinc/76/39/47/558763947.db2.gz DMZGRAIMZVQKKA-JOCHJYFZSA-N 1 0 406.526 5.015 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000015952787 558763970 /nfs/dbraw/zinc/76/39/70/558763970.db2.gz DMZGRAIMZVQKKA-QFIPXVFZSA-N 1 0 406.526 5.015 50 0 HKAARO CCOc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCCCC3)cc1 ZINC000015953116 558763907 /nfs/dbraw/zinc/76/39/07/558763907.db2.gz YFYTWDJVYRDONY-UHFFFAOYSA-N 1 0 412.351 5.319 50 0 HKAARO FC(F)(F)c1ccc2c(c1)[n+](Cc1cccc(C(F)(F)F)c1)c1n2CCCCC1 ZINC000015953156 569024479 /nfs/dbraw/zinc/02/44/79/569024479.db2.gz ZQVDFOMQXXRZKV-UHFFFAOYSA-N 1 0 413.385 5.741 50 0 HKAARO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953538 560650473 /nfs/dbraw/zinc/65/04/73/560650473.db2.gz KHTQBWLJEZPZAP-INVJPVLZSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953540 560650493 /nfs/dbraw/zinc/65/04/93/560650493.db2.gz KHTQBWLJEZPZAP-KNBUBVHZSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c1 ZINC000016032479 560654767 /nfs/dbraw/zinc/65/47/67/560654767.db2.gz NGTYIDRNJTUKEY-INVJPVLZSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)c1 ZINC000016032481 560654812 /nfs/dbraw/zinc/65/48/12/560654812.db2.gz NGTYIDRNJTUKEY-KNBUBVHZSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016322889 558786414 /nfs/dbraw/zinc/78/64/14/558786414.db2.gz CYQRWRYGCTUFPR-UHFFFAOYSA-N 1 0 412.755 5.578 50 0 HKAARO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1cccc(C)c1 ZINC000016349265 558787472 /nfs/dbraw/zinc/78/74/72/558787472.db2.gz KTLOZJOJDKIMKR-VLTVRWITSA-N 1 0 419.609 6.421 50 0 HKAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1cccc(C)c1 ZINC000016349330 558787544 /nfs/dbraw/zinc/78/75/44/558787544.db2.gz PTMLPFMYUJMHFJ-UHFFFAOYSA-N 1 0 400.522 5.396 50 0 HKAARO CCOc1cc(C[NH2+]C)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000016361987 558787953 /nfs/dbraw/zinc/78/79/53/558787953.db2.gz YKOSKSHLFFEFCA-UHFFFAOYSA-N 1 0 419.146 5.453 50 0 HKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CC2)c(Cl)c1 ZINC000016384973 558789308 /nfs/dbraw/zinc/78/93/08/558789308.db2.gz BHPMBTHQSAYELU-UHFFFAOYSA-N 1 0 401.131 5.587 50 0 HKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000016384984 558789317 /nfs/dbraw/zinc/78/93/17/558789317.db2.gz CIZMLGMBJKXXDT-UHFFFAOYSA-N 1 0 412.788 7.038 50 0 HKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000016384994 558789267 /nfs/dbraw/zinc/78/92/67/558789267.db2.gz GLZUXFPVLGSRHS-KRWDZBQOSA-N 1 0 400.733 5.494 50 0 HKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000016384998 558789242 /nfs/dbraw/zinc/78/92/42/558789242.db2.gz GLZUXFPVLGSRHS-QGZVFWFLSA-N 1 0 400.733 5.494 50 0 HKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c(Cl)c1 ZINC000016401634 558790079 /nfs/dbraw/zinc/79/00/79/558790079.db2.gz ZUGVENJLLYFADM-UHFFFAOYSA-N 1 0 416.304 5.591 50 0 HKAARO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000016401767 558790145 /nfs/dbraw/zinc/79/01/45/558790145.db2.gz GDDSVKKNAAZCLS-UHFFFAOYSA-N 1 0 406.339 5.980 50 0 HKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016401819 558790148 /nfs/dbraw/zinc/79/01/48/558790148.db2.gz RFEKWLKLFDZUCO-UHFFFAOYSA-N 1 0 416.304 5.591 50 0 HKAARO CCOc1cc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1OC(F)F ZINC000016419441 558790363 /nfs/dbraw/zinc/79/03/63/558790363.db2.gz UCUNODOXOXBPMA-UHFFFAOYSA-N 1 0 413.468 5.037 50 0 HKAARO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000016449938 558792288 /nfs/dbraw/zinc/79/22/88/558792288.db2.gz LLDZZFGRXNANQH-UHFFFAOYSA-N 1 0 408.767 6.104 50 0 HKAARO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000016449942 558792157 /nfs/dbraw/zinc/79/21/57/558792157.db2.gz QIGLVRTZHCPIRE-UHFFFAOYSA-N 1 0 422.794 6.494 50 0 HKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000016449944 558792280 /nfs/dbraw/zinc/79/22/80/558792280.db2.gz CYFGJDWZTACSAH-UHFFFAOYSA-N 1 0 406.339 5.980 50 0 HKAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000016450021 558792110 /nfs/dbraw/zinc/79/21/10/558792110.db2.gz BIWGSLJQUALZCW-UHFFFAOYSA-N 1 0 416.304 5.591 50 0 HKAARO O=C(C[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477268 569053558 /nfs/dbraw/zinc/05/35/58/569053558.db2.gz ONQYTFMUKJJGAX-HSZRJFAPSA-N 1 0 420.350 5.822 50 0 HKAARO O=C(C[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477271 569053542 /nfs/dbraw/zinc/05/35/42/569053542.db2.gz ONQYTFMUKJJGAX-QHCPKHFHSA-N 1 0 420.350 5.822 50 0 HKAARO O[C@@H](C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000016477388 558793656 /nfs/dbraw/zinc/79/36/56/558793656.db2.gz PVEYTMUOBPHCTR-VWLOTQADSA-N 1 0 401.481 5.381 50 0 HKAARO O[C@H](C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000016477391 558793607 /nfs/dbraw/zinc/79/36/07/558793607.db2.gz PVEYTMUOBPHCTR-RUZDIDTESA-N 1 0 401.481 5.381 50 0 HKAARO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477400 571313789 /nfs/dbraw/zinc/31/37/89/571313789.db2.gz BFICVXWBYNGYGK-NRFANRHFSA-N 1 0 402.321 5.396 50 0 HKAARO O[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477403 571313691 /nfs/dbraw/zinc/31/36/91/571313691.db2.gz BFICVXWBYNGYGK-OAQYLSRUSA-N 1 0 402.321 5.396 50 0 HKAARO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477434 571313707 /nfs/dbraw/zinc/31/37/07/571313707.db2.gz ZOQGVUNIJPBTGE-NRFANRHFSA-N 1 0 402.321 5.396 50 0 HKAARO O[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477437 571313797 /nfs/dbraw/zinc/31/37/97/571313797.db2.gz ZOQGVUNIJPBTGE-OAQYLSRUSA-N 1 0 402.321 5.396 50 0 HKAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477547 558793564 /nfs/dbraw/zinc/79/35/64/558793564.db2.gz XWIXVVVHURQWNJ-NRFANRHFSA-N 1 0 402.321 5.396 50 0 HKAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477550 558793659 /nfs/dbraw/zinc/79/36/59/558793659.db2.gz XWIXVVVHURQWNJ-OAQYLSRUSA-N 1 0 402.321 5.396 50 0 HKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000016479346 558793763 /nfs/dbraw/zinc/79/37/63/558793763.db2.gz XOWLNLLJONNPRD-UHFFFAOYSA-N 1 0 414.318 5.500 50 0 HKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000016480087 558794076 /nfs/dbraw/zinc/79/40/76/558794076.db2.gz ASXKMJHHDVQCFQ-UHFFFAOYSA-N 1 0 422.355 7.015 50 0 HKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000016525855 558795288 /nfs/dbraw/zinc/79/52/88/558795288.db2.gz URWOADWBSAJKPO-UHFFFAOYSA-N 1 0 414.376 7.148 50 0 HKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000016525880 558795308 /nfs/dbraw/zinc/79/53/08/558795308.db2.gz KRZMXSVGBCMNIY-IBGZPJMESA-N 1 0 416.348 5.994 50 0 HKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000016525882 558795320 /nfs/dbraw/zinc/79/53/20/558795320.db2.gz KRZMXSVGBCMNIY-LJQANCHMSA-N 1 0 416.348 5.994 50 0 HKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016525985 558795425 /nfs/dbraw/zinc/79/54/25/558795425.db2.gz ZDXJWXAORSXUBU-UHFFFAOYSA-N 1 0 415.464 5.576 50 0 HKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016525991 558795444 /nfs/dbraw/zinc/79/54/44/558795444.db2.gz VXFCVDHFVQIYRN-UHFFFAOYSA-N 1 0 415.464 5.576 50 0 HKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000016662646 558798366 /nfs/dbraw/zinc/79/83/66/558798366.db2.gz PZRMNEDBQOIBLK-UHFFFAOYSA-N 1 0 420.862 5.941 50 0 HKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)c1 ZINC000016662675 558798327 /nfs/dbraw/zinc/79/83/27/558798327.db2.gz SMLIBCBYTCCMDE-UHFFFAOYSA-N 1 0 420.862 5.941 50 0 HKAARO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCC[NH+](CC)CC)cc21 ZINC000016846303 569265184 /nfs/dbraw/zinc/26/51/84/569265184.db2.gz NSKSDBRFFAUYGZ-UHFFFAOYSA-N 1 0 419.569 5.071 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]Cc3c[nH]c4ccccc34)CCC[C@]21C ZINC000016948571 569357163 /nfs/dbraw/zinc/35/71/63/569357163.db2.gz WAWPYSHDONJSJL-MPFGFTFXSA-N 1 0 414.637 7.091 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3c[nH]c4ccccc34)CCC[C@]21C ZINC000016948577 519840507 /nfs/dbraw/zinc/84/05/07/519840507.db2.gz WAWPYSHDONJSJL-SSBOKUKZSA-N 1 0 414.637 7.091 50 0 HKAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000016949703 519422077 /nfs/dbraw/zinc/42/20/77/519422077.db2.gz GFNAIMIAENVOOC-NDMKBUGQSA-N 1 0 423.729 8.183 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]Cc3ccc4c(c3)OCO4)CCC[C@]21C ZINC000016949732 569357189 /nfs/dbraw/zinc/35/71/89/569357189.db2.gz YOOJEFRMLLOATM-JCYYIGJDSA-N 1 0 419.609 6.339 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc4c(c3)OCO4)CCC[C@]21C ZINC000016949734 559087306 /nfs/dbraw/zinc/08/73/06/559087306.db2.gz YOOJEFRMLLOATM-OZNIXHKMSA-N 1 0 419.609 6.339 50 0 HKAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)nc2c(C)c1 ZINC000017010430 569271315 /nfs/dbraw/zinc/27/13/15/569271315.db2.gz CKFKBFSZCBLKGT-UHFFFAOYSA-N 1 0 421.610 5.390 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000017088554 558817319 /nfs/dbraw/zinc/81/73/19/558817319.db2.gz ZRTZWUHONCHQGS-JTHBVZDNSA-N 1 0 410.517 5.067 50 0 HKAARO C[C@]12CC3CC(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)(C1)C[C@@](C)(C3)C2 ZINC000017088671 558817421 /nfs/dbraw/zinc/81/74/21/558817421.db2.gz YBLRRUWRTXAUNN-BKUJJWMOSA-N 1 0 410.646 5.096 50 0 HKAARO O=C(c1cccc(Oc2ccccc2)c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017090831 558819614 /nfs/dbraw/zinc/81/96/14/558819614.db2.gz QFRMOSNBYHKNFC-UHFFFAOYSA-N 1 0 416.565 5.206 50 0 HKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000017113401 569274964 /nfs/dbraw/zinc/27/49/64/569274964.db2.gz DQTGSJHYCDPSMZ-UHFFFAOYSA-N 1 0 423.563 5.637 50 0 HKAARO Cc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000017135391 558823389 /nfs/dbraw/zinc/82/33/89/558823389.db2.gz HRFFIZVZDBARHN-UHFFFAOYSA-N 1 0 402.502 5.081 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cccc2C)s1 ZINC000017287582 560705887 /nfs/dbraw/zinc/70/58/87/560705887.db2.gz UBNXZEQQZVZKGI-UHFFFAOYSA-N 1 0 421.610 5.472 50 0 HKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(C)cc2s1 ZINC000017287607 560705883 /nfs/dbraw/zinc/70/58/83/560705883.db2.gz QWDALOPCDSOFPE-UHFFFAOYSA-N 1 0 421.610 5.472 50 0 HKAARO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000017310346 560707837 /nfs/dbraw/zinc/70/78/37/560707837.db2.gz LCJNWILSOCVAOS-UHFFFAOYSA-N 1 0 404.341 5.153 50 0 HKAARO Clc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 ZINC000017310644 560707828 /nfs/dbraw/zinc/70/78/28/560707828.db2.gz URNHKSZKHOXHMQ-UHFFFAOYSA-N 1 0 423.347 5.590 50 0 HKAARO COc1ccccc1C[NH2+]Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017310978 560707811 /nfs/dbraw/zinc/70/78/11/560707811.db2.gz FIOMTYDAGMZYKU-UHFFFAOYSA-N 1 0 404.341 5.153 50 0 HKAARO O=C(Nc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1)c1ccccc1Cl ZINC000017311659 560708025 /nfs/dbraw/zinc/70/80/25/560708025.db2.gz WFLHEEJCEBQSPS-UHFFFAOYSA-N 1 0 418.846 5.901 50 0 HKAARO COc1cccc(C[NH2+]Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1 ZINC000017311933 560708070 /nfs/dbraw/zinc/70/80/70/560708070.db2.gz GAXHWUAEHDIWRR-UHFFFAOYSA-N 1 0 404.341 5.153 50 0 HKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000017312223 560708015 /nfs/dbraw/zinc/70/80/15/560708015.db2.gz WOUKEILCSRFFKH-CYBMUJFWSA-N 1 0 406.332 5.845 50 0 HKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000017312225 560708091 /nfs/dbraw/zinc/70/80/91/560708091.db2.gz WOUKEILCSRFFKH-ZDUSSCGKSA-N 1 0 406.332 5.845 50 0 HKAARO COc1ccccc1[C@@H](C)[NH2+]Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017314265 560708114 /nfs/dbraw/zinc/70/81/14/560708114.db2.gz UXOQTVJFZFOHQJ-CQSZACIVSA-N 1 0 418.368 5.714 50 0 HKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl ZINC000017314510 560708157 /nfs/dbraw/zinc/70/81/57/560708157.db2.gz XBZKGDMQNCIWLS-GOSISDBHSA-N 1 0 402.929 5.498 50 0 HKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl ZINC000017314512 560708132 /nfs/dbraw/zinc/70/81/32/560708132.db2.gz XBZKGDMQNCIWLS-SFHVURJKSA-N 1 0 402.929 5.498 50 0 HKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000017315176 560707586 /nfs/dbraw/zinc/70/75/86/560707586.db2.gz FMZKJMNIONCHSV-GOSISDBHSA-N 1 0 402.929 5.498 50 0 HKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000017315179 560707575 /nfs/dbraw/zinc/70/75/75/560707575.db2.gz FMZKJMNIONCHSV-SFHVURJKSA-N 1 0 402.929 5.498 50 0 HKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 ZINC000017315410 560707572 /nfs/dbraw/zinc/70/75/72/560707572.db2.gz IRVMMIGFNOCRQN-CQSZACIVSA-N 1 0 400.856 5.721 50 0 HKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 ZINC000017315413 560707584 /nfs/dbraw/zinc/70/75/84/560707584.db2.gz IRVMMIGFNOCRQN-AWEZNQCLSA-N 1 0 400.856 5.721 50 0 HKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315420 560707592 /nfs/dbraw/zinc/70/75/92/560707592.db2.gz MQKNJTRUZWOXAJ-QGZVFWFLSA-N 1 0 404.464 5.122 50 0 HKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315422 560707596 /nfs/dbraw/zinc/70/75/96/560707596.db2.gz MQKNJTRUZWOXAJ-KRWDZBQOSA-N 1 0 404.464 5.122 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000017362949 560712728 /nfs/dbraw/zinc/71/27/28/560712728.db2.gz SGIXTRQSXBONEG-UHFFFAOYSA-N 1 0 402.922 5.088 50 0 HKAARO c1ccc(-[n+]2c3c(cc4c2[C@H](C2=CCCCC2)CCC4)CCC[C@@H]3C2=CCCCC2)cc1 ZINC000018069445 560774587 /nfs/dbraw/zinc/77/45/87/560774587.db2.gz HAFKOYPGVUSKOM-ISILISOKSA-N 1 0 424.652 7.804 50 0 HKAARO O=c1[nH]c(C[N@@H+]2CCCC3(CCCCC3)C2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000018143529 558832083 /nfs/dbraw/zinc/83/20/83/558832083.db2.gz BIQCIZDAGMICNL-UHFFFAOYSA-N 1 0 417.597 5.351 50 0 HKAARO CCCC[NH+](CCCC)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018207302 558833438 /nfs/dbraw/zinc/83/34/38/558833438.db2.gz NNSHJJMCCZEKNN-UHFFFAOYSA-N 1 0 407.602 5.597 50 0 HKAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112227 558841688 /nfs/dbraw/zinc/84/16/88/558841688.db2.gz NNOXLVJXBRNLDM-HXUWFJFHSA-N 1 0 406.526 5.258 50 0 HKAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112232 558841729 /nfs/dbraw/zinc/84/17/29/558841729.db2.gz NNOXLVJXBRNLDM-FQEVSTJZSA-N 1 0 406.526 5.258 50 0 HKAARO CSCCC[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000019145360 558846641 /nfs/dbraw/zinc/84/66/41/558846641.db2.gz UJNXVDZQFGYOKE-UHFFFAOYSA-N 1 0 407.583 5.239 50 0 HKAARO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C1CCCCC1 ZINC000019147960 558847066 /nfs/dbraw/zinc/84/70/66/558847066.db2.gz FVMQOEHRIWAUSQ-UHFFFAOYSA-N 1 0 416.997 5.159 50 0 HKAARO COc1cccc(-c2nc(C[NH+]3CCC(CCc4ccccc4)CC3)c(C)o2)c1OC ZINC000019148826 558847106 /nfs/dbraw/zinc/84/71/06/558847106.db2.gz CGBSHOIGODNDGM-UHFFFAOYSA-N 1 0 420.553 5.512 50 0 HKAARO CCc1cc2c(ncnc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000019202713 536159734 /nfs/dbraw/zinc/15/97/34/536159734.db2.gz RFJUDYLGMPXVJH-UHFFFAOYSA-N 1 0 414.578 5.165 50 0 HKAARO COc1cccc(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)c1OC ZINC000019224860 558852647 /nfs/dbraw/zinc/85/26/47/558852647.db2.gz CHWHPDXFXKYRGS-UHFFFAOYSA-N 1 0 406.526 5.122 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299857 558866210 /nfs/dbraw/zinc/86/62/10/558866210.db2.gz RYSXRPFPLQCTMX-KRWDZBQOSA-N 1 0 422.466 5.153 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299859 558866326 /nfs/dbraw/zinc/86/63/26/558866326.db2.gz RYSXRPFPLQCTMX-QGZVFWFLSA-N 1 0 422.466 5.153 50 0 HKAARO Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000019300155 558866276 /nfs/dbraw/zinc/86/62/76/558866276.db2.gz MCOUNTOHDVPWGM-UHFFFAOYSA-N 1 0 418.540 5.998 50 0 biogenic HKAARO Clc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000019359475 558876077 /nfs/dbraw/zinc/87/60/77/558876077.db2.gz FIBDECRUKSXWBT-UHFFFAOYSA-N 1 0 411.376 5.901 50 0 HKAARO COc1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000019361055 558876099 /nfs/dbraw/zinc/87/60/99/558876099.db2.gz FLNYLINBEZROPL-NSOVKSMOSA-N 1 0 412.577 5.080 50 0 in-vivo HKAARO Cc1ccc(-c2n[nH]cc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019361901 558876547 /nfs/dbraw/zinc/87/65/47/558876547.db2.gz QRQBNEVLTLOIOJ-UHFFFAOYSA-N 1 0 422.576 5.292 50 0 HKAARO c1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019362713 558876608 /nfs/dbraw/zinc/87/66/08/558876608.db2.gz RAQPOZGWANIDQT-UHFFFAOYSA-N 1 0 414.593 5.043 50 0 in-vitro HKAARO Brc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019364760 558876691 /nfs/dbraw/zinc/87/66/91/558876691.db2.gz WJQFICLJQSPPAZ-UHFFFAOYSA-N 1 0 421.382 5.356 50 0 HKAARO COc1ccc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000019369737 558878223 /nfs/dbraw/zinc/87/82/23/558878223.db2.gz SGDAEIOMKHBTKX-UHFFFAOYSA-N 1 0 414.471 5.185 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000019369747 558878219 /nfs/dbraw/zinc/87/82/19/558878219.db2.gz UUPXULFCKDLMNF-UHFFFAOYSA-N 1 0 401.529 5.271 50 0 aggregator HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4OC)CC3)ccc21 ZINC000019369751 558878106 /nfs/dbraw/zinc/87/81/06/558878106.db2.gz YWOLNMASMRVLAH-UHFFFAOYSA-N 1 0 413.565 5.141 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4Cl)CC3)ccc21 ZINC000019369770 558878199 /nfs/dbraw/zinc/87/81/99/558878199.db2.gz IBSZVGQVYFLRLG-UHFFFAOYSA-N 1 0 417.984 5.786 50 0 HKAARO CSCC[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019370923 558878993 /nfs/dbraw/zinc/87/89/93/558878993.db2.gz OQIBCVFIRXSUFA-IBGZPJMESA-N 1 0 405.032 5.069 50 0 HKAARO CSCC[NH+]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019370925 558879015 /nfs/dbraw/zinc/87/90/15/558879015.db2.gz OQIBCVFIRXSUFA-LJQANCHMSA-N 1 0 405.032 5.069 50 0 HKAARO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019418405 558885358 /nfs/dbraw/zinc/88/53/58/558885358.db2.gz WZBDINFXSFDSTL-UHFFFAOYSA-N 1 0 411.332 5.804 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)ccc21 ZINC000019536564 569422586 /nfs/dbraw/zinc/42/25/86/569422586.db2.gz HPSARTYEDBFIGM-DHZHZOJOSA-N 1 0 409.577 5.645 50 0 HKAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537090 558914042 /nfs/dbraw/zinc/91/40/42/558914042.db2.gz KDHGMXXWJSRKMV-LJQANCHMSA-N 1 0 417.509 5.570 50 0 HKAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537093 558913936 /nfs/dbraw/zinc/91/39/36/558913936.db2.gz KDHGMXXWJSRKMV-IBGZPJMESA-N 1 0 417.509 5.570 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(F)c4)CC3)ccc21 ZINC000019624668 558947080 /nfs/dbraw/zinc/94/70/80/558947080.db2.gz KZFMPFNYDIVNAB-UHFFFAOYSA-N 1 0 401.529 5.271 50 0 HKAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019633050 558947272 /nfs/dbraw/zinc/94/72/72/558947272.db2.gz TWZACMGQDJQLNG-UHFFFAOYSA-N 1 0 400.444 5.189 50 0 HKAARO COc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000019634853 558947549 /nfs/dbraw/zinc/94/75/49/558947549.db2.gz RCTFVFWXRMEZCM-UHFFFAOYSA-N 1 0 400.444 5.189 50 0 HKAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000019721027 558259331 /nfs/dbraw/zinc/25/93/31/558259331.db2.gz FTIZRWNECVCBAE-UHFFFAOYSA-N 1 0 413.521 5.379 50 0 HKAARO Fc1ccc(-n2cc(C[NH2+]CCc3ccncc3)c(-c3ccccc3Cl)n2)cc1 ZINC000019731149 558259637 /nfs/dbraw/zinc/25/96/37/558259637.db2.gz NSPFWWRRXOHXRD-UHFFFAOYSA-N 1 0 406.892 5.059 50 0 HKAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731216 558259552 /nfs/dbraw/zinc/25/95/52/558259552.db2.gz SCWPSJIICOQEPZ-QFIPXVFZSA-N 1 0 405.586 5.069 50 0 HKAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731218 558259506 /nfs/dbraw/zinc/25/95/06/558259506.db2.gz SCWPSJIICOQEPZ-JOCHJYFZSA-N 1 0 405.586 5.069 50 0 HKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000019732585 558259744 /nfs/dbraw/zinc/25/97/44/558259744.db2.gz KVDLACVFYYGXHT-SANMLTNESA-N 1 0 421.968 6.122 50 0 HKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000019732587 558259802 /nfs/dbraw/zinc/25/98/02/558259802.db2.gz KVDLACVFYYGXHT-AREMUKBSSA-N 1 0 421.968 6.122 50 0 HKAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(CCN2CCCC2=O)CC1 ZINC000019745152 558265755 /nfs/dbraw/zinc/26/57/55/558265755.db2.gz LTYBIBVUZRZAPD-UHFFFAOYSA-N 1 0 417.553 5.028 50 0 HKAARO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019762356 558277196 /nfs/dbraw/zinc/27/71/96/558277196.db2.gz RUIDHNVDGAIZFF-UHFFFAOYSA-N 1 0 411.332 5.804 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000019770306 558279290 /nfs/dbraw/zinc/27/92/90/558279290.db2.gz DPJUOUATWMHHCC-UHFFFAOYSA-N 1 0 411.505 5.346 50 0 HKAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000019770964 558279716 /nfs/dbraw/zinc/27/97/16/558279716.db2.gz VUDAJUSYSVGWKC-MRXNPFEDSA-N 1 0 403.507 5.180 50 0 HKAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000019770965 558279768 /nfs/dbraw/zinc/27/97/68/558279768.db2.gz VUDAJUSYSVGWKC-INIZCTEOSA-N 1 0 403.507 5.180 50 0 HKAARO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000019771244 558279679 /nfs/dbraw/zinc/27/96/79/558279679.db2.gz UDNQHCSFKSUUNU-UHFFFAOYSA-N 1 0 423.582 5.285 50 0 HKAARO CC1(C)Cc2c3c(ncn4nc(-c5cccc6ccccc65)nc34)sc2C(C)(C)[NH2+]1 ZINC000019771432 520578717 /nfs/dbraw/zinc/57/87/17/520578717.db2.gz LTSNTKDLCOXVJE-UHFFFAOYSA-N 1 0 413.550 5.319 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(OC)cc4)CC3)ccc21 ZINC000019781647 558281136 /nfs/dbraw/zinc/28/11/36/558281136.db2.gz RFBYCZYOLAFFQF-UHFFFAOYSA-N 1 0 413.565 5.141 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(OC)c4)CC3)ccc21 ZINC000019781789 558281160 /nfs/dbraw/zinc/28/11/60/558281160.db2.gz INVFWSFUAASLHX-UHFFFAOYSA-N 1 0 413.565 5.141 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(Cl)c4)CC3)ccc21 ZINC000019781859 558281420 /nfs/dbraw/zinc/28/14/20/558281420.db2.gz QOXKOMSNSRONAG-UHFFFAOYSA-N 1 0 417.984 5.786 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000019781949 558281379 /nfs/dbraw/zinc/28/13/79/558281379.db2.gz XXVUTQWGZFVLKZ-UHFFFAOYSA-N 1 0 401.529 5.271 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4c[nH]c5ccccc45)CC3)ccc21 ZINC000019782002 558281496 /nfs/dbraw/zinc/28/14/96/558281496.db2.gz FKMRLRUCQQTCKL-UHFFFAOYSA-N 1 0 422.576 5.614 50 0 HKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccccc2F)cc1 ZINC000019782346 558281626 /nfs/dbraw/zinc/28/16/26/558281626.db2.gz ZXAOELJTOKHATB-UHFFFAOYSA-N 1 0 407.485 5.198 50 0 HKAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cnc(-c4ccccc4)s3)c2C)cc1 ZINC000019792492 558283446 /nfs/dbraw/zinc/28/34/46/558283446.db2.gz AQWLJJMXHYVPMD-MRXNPFEDSA-N 1 0 404.539 5.164 50 0 HKAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cnc(-c4ccccc4)s3)c2C)cc1 ZINC000019792493 523352060 /nfs/dbraw/zinc/35/20/60/523352060.db2.gz AQWLJJMXHYVPMD-INIZCTEOSA-N 1 0 404.539 5.164 50 0 HKAARO O=C(Nc1ccccc1Br)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019792694 558283451 /nfs/dbraw/zinc/28/34/51/558283451.db2.gz AQJMDAAWKINHPY-UHFFFAOYSA-N 1 0 421.338 5.260 50 0 HKAARO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019794368 558283633 /nfs/dbraw/zinc/28/36/33/558283633.db2.gz HYBGSUMURIUERW-UHFFFAOYSA-N 1 0 411.332 5.804 50 0 HKAARO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019794728 558284048 /nfs/dbraw/zinc/28/40/48/558284048.db2.gz DGZYFBXJOPXVBE-UHFFFAOYSA-N 1 0 410.439 5.516 50 0 HKAARO O=C(NCCSC1CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019798639 558284763 /nfs/dbraw/zinc/28/47/63/558284763.db2.gz GPJQMIKRKRCJIH-UHFFFAOYSA-N 1 0 408.611 5.041 50 0 HKAARO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000019800296 558285211 /nfs/dbraw/zinc/28/52/11/558285211.db2.gz ALORVGAVZQXHPT-UHFFFAOYSA-N 1 0 406.913 5.159 50 0 HKAARO Nc1c(Cl)cc([C@@H](O)C[NH2+]C2c3ccccc3CCc3ccccc32)cc1Cl ZINC000019801782 527431907 /nfs/dbraw/zinc/43/19/07/527431907.db2.gz KNHAYJPWZAIJQG-NRFANRHFSA-N 1 0 413.348 5.087 50 0 HKAARO Nc1c(Cl)cc([C@H](O)C[NH2+]C2c3ccccc3CCc3ccccc32)cc1Cl ZINC000019801784 558285576 /nfs/dbraw/zinc/28/55/76/558285576.db2.gz KNHAYJPWZAIJQG-OAQYLSRUSA-N 1 0 413.348 5.087 50 0 HKAARO COc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000019801804 569430536 /nfs/dbraw/zinc/43/05/36/569430536.db2.gz NBIXQTAFCALVHC-VWLOTQADSA-N 1 0 416.565 5.023 50 0 HKAARO COc1ccccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000019801807 569430512 /nfs/dbraw/zinc/43/05/12/569430512.db2.gz NBIXQTAFCALVHC-RUZDIDTESA-N 1 0 416.565 5.023 50 0 HKAARO C[C@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000019802186 558285827 /nfs/dbraw/zinc/28/58/27/558285827.db2.gz LBZVALDPKCKVAO-CYBMUJFWSA-N 1 0 415.817 6.106 50 0 HKAARO C[C@@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000019802189 558285912 /nfs/dbraw/zinc/28/59/12/558285912.db2.gz LBZVALDPKCKVAO-ZDUSSCGKSA-N 1 0 415.817 6.106 50 0 HKAARO c1ccc(CC[N@H+](Cc2ccccc2)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000019809373 558286384 /nfs/dbraw/zinc/28/63/84/558286384.db2.gz LUVQUAIWOYNDQA-UHFFFAOYSA-N 1 0 407.557 6.511 50 0 HKAARO c1ccc(CC[N@H+](Cc2ccccc2)Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000019810096 558286588 /nfs/dbraw/zinc/28/65/88/558286588.db2.gz IPNODZKIAJOAQZ-UHFFFAOYSA-N 1 0 407.557 6.511 50 0 HKAARO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019811920 558286900 /nfs/dbraw/zinc/28/69/00/558286900.db2.gz ZOLQUIREJYEJQN-UHFFFAOYSA-N 1 0 406.913 5.159 50 0 HKAARO Cc1ccc(SCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019812141 558287220 /nfs/dbraw/zinc/28/72/20/558287220.db2.gz QNYSXKFFXNCLHC-UHFFFAOYSA-N 1 0 416.590 5.075 50 0 HKAARO COCc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000019835549 558292722 /nfs/dbraw/zinc/29/27/22/558292722.db2.gz WTKHHUSXYNKIIS-UHFFFAOYSA-N 1 0 419.447 5.215 50 0 HKAARO COc1ccc2cc([C@@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(OC)c(F)c3)ccc2c1 ZINC000019837253 558292973 /nfs/dbraw/zinc/29/29/73/558292973.db2.gz JVTSAUUSHBSZRW-OAHLLOKOSA-N 1 0 405.473 5.237 50 0 HKAARO COc1ccc2cc([C@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(OC)c(F)c3)ccc2c1 ZINC000019837255 558293053 /nfs/dbraw/zinc/29/30/53/558293053.db2.gz JVTSAUUSHBSZRW-HNNXBMFYSA-N 1 0 405.473 5.237 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000019841277 558294112 /nfs/dbraw/zinc/29/41/12/558294112.db2.gz CAZCKDVLYUGUMO-UHFFFAOYSA-N 1 0 417.984 5.786 50 0 HKAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000019848812 558295134 /nfs/dbraw/zinc/29/51/34/558295134.db2.gz NEUZFQJVURNOIZ-UHFFFAOYSA-N 1 0 402.338 5.125 50 0 HKAARO c1ccc2c(c1)cccc2C[NH+](CCN1CCOCC1)Cc1cccc2ccccc21 ZINC000019859149 526513834 /nfs/dbraw/zinc/51/38/34/526513834.db2.gz CDSHYMKBPFGHIR-UHFFFAOYSA-N 1 0 410.561 5.327 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865727 558298840 /nfs/dbraw/zinc/29/88/40/558298840.db2.gz QKKBQECJDMWKCR-KRWDZBQOSA-N 1 0 412.480 5.020 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865731 558298798 /nfs/dbraw/zinc/29/87/98/558298798.db2.gz QKKBQECJDMWKCR-QGZVFWFLSA-N 1 0 412.480 5.020 50 0 HKAARO c1sc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccccc1 ZINC000019867127 558299100 /nfs/dbraw/zinc/29/91/00/558299100.db2.gz VEBZUBFANXMZRI-UHFFFAOYSA-N 1 0 411.574 5.722 50 0 HKAARO Cc1nc2ccccc2n1CCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019878097 569357418 /nfs/dbraw/zinc/35/74/18/569357418.db2.gz QSAUUWNHPOMXNA-UHFFFAOYSA-N 1 0 424.592 5.142 50 0 HKAARO CCCC[C@H](CC)COC[C@@H](C[NH+](C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000019878820 558300207 /nfs/dbraw/zinc/30/02/07/558300207.db2.gz OXQSXJOQFXUCQG-OJJQZRKESA-N 1 0 415.703 6.035 50 0 HKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019879423 569433077 /nfs/dbraw/zinc/43/30/77/569433077.db2.gz UXBFWPHVZCTVEJ-DEOSSOPVSA-N 1 0 405.542 5.589 50 0 HKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019879425 525448411 /nfs/dbraw/zinc/44/84/11/525448411.db2.gz UXBFWPHVZCTVEJ-XMMPIXPASA-N 1 0 405.542 5.589 50 0 HKAARO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019880176 558300467 /nfs/dbraw/zinc/30/04/67/558300467.db2.gz HYQAGGXMGFDKAK-UHFFFAOYSA-N 1 0 420.556 5.316 50 0 HKAARO c1ccc(Oc2cccc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)c2)cc1 ZINC000019889522 558302509 /nfs/dbraw/zinc/30/25/09/558302509.db2.gz YZUBSEWQLIQEDK-UHFFFAOYSA-N 1 0 408.545 5.950 50 0 HKAARO CCn1c2ccccc2c2cc(CN3CC[NH+](CCCc4ccccc4)CC3)ccc21 ZINC000019889663 558302687 /nfs/dbraw/zinc/30/26/87/558302687.db2.gz YAWVDKMXPAXGBG-UHFFFAOYSA-N 1 0 411.593 5.565 50 0 HKAARO CCc1ccc(CN2CC[NH+](Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 ZINC000019889961 558302838 /nfs/dbraw/zinc/30/28/38/558302838.db2.gz ZQSGNJCMZDFONK-UHFFFAOYSA-N 1 0 411.593 5.695 50 0 HKAARO COc1ccc(CC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC ZINC000019908319 558305945 /nfs/dbraw/zinc/30/59/45/558305945.db2.gz GLOXFQFXFHWHDP-UHFFFAOYSA-N 1 0 423.556 5.828 50 0 HKAARO Oc1cccc([C@@H](O)C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000019922662 558307339 /nfs/dbraw/zinc/30/73/39/558307339.db2.gz KXUGYUOPTUNPBG-QFIPXVFZSA-N 1 0 418.320 5.101 50 0 HKAARO Oc1cccc([C@H](O)C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000019922665 558307328 /nfs/dbraw/zinc/30/73/28/558307328.db2.gz KXUGYUOPTUNPBG-JOCHJYFZSA-N 1 0 418.320 5.101 50 0 HKAARO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020027007 558322568 /nfs/dbraw/zinc/32/25/68/558322568.db2.gz FFLWOULVFGWVPE-UHFFFAOYSA-N 1 0 410.439 5.516 50 0 HKAARO C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2[NH2+]C2CCCCCCCCCCC2)[C@@H]1C ZINC000020058132 558328954 /nfs/dbraw/zinc/32/89/54/558328954.db2.gz YKSIZWWEVLYGSR-PDMAMLTQSA-N 1 0 424.673 7.229 50 0 HKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108171 568588317 /nfs/dbraw/zinc/58/83/17/568588317.db2.gz VLJJAAOUTZFFRD-QZTZHPFYSA-N 1 0 408.542 5.196 50 0 HKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020108173 568588345 /nfs/dbraw/zinc/58/83/45/568588345.db2.gz VLJJAAOUTZFFRD-NXMSCROESA-N 1 0 408.542 5.196 50 0 HKAARO COc1ccc(CC[N@H+](C)Cc2c(-c3ccc(C)cc3)nc3sccn23)cc1OC ZINC000020131254 558337246 /nfs/dbraw/zinc/33/72/46/558337246.db2.gz FOUOXXMFHFPRQJ-UHFFFAOYSA-N 1 0 421.566 5.063 50 0 HKAARO Cc1sc2ncnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1C ZINC000020137426 558337668 /nfs/dbraw/zinc/33/76/68/558337668.db2.gz GIKXFPSMVAEOAI-UHFFFAOYSA-N 1 0 414.578 5.220 50 0 HKAARO CC1=C(C)[C@H]([NH2+]C2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000020158447 558342380 /nfs/dbraw/zinc/34/23/80/558342380.db2.gz IRXHHOJTUFUDPU-WXVAWEFUSA-N 1 0 424.673 6.775 50 0 HKAARO CC1=C(C)[C@H]([NH2+]C2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O ZINC000020158451 558342308 /nfs/dbraw/zinc/34/23/08/558342308.db2.gz IRXHHOJTUFUDPU-AJTFRIOCSA-N 1 0 424.673 6.775 50 0 HKAARO CC1=C(C)[C@@H]([NH2+]C2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O ZINC000020158454 558342392 /nfs/dbraw/zinc/34/23/92/558342392.db2.gz IRXHHOJTUFUDPU-AMGIVPHBSA-N 1 0 424.673 6.775 50 0 HKAARO Cc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000020192837 568593652 /nfs/dbraw/zinc/59/36/52/568593652.db2.gz CFIZBVFZOMLBEZ-SANMLTNESA-N 1 0 411.549 5.191 50 0 HKAARO Cc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000020192839 568593684 /nfs/dbraw/zinc/59/36/84/568593684.db2.gz CFIZBVFZOMLBEZ-AREMUKBSSA-N 1 0 411.549 5.191 50 0 HKAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000020204033 558346594 /nfs/dbraw/zinc/34/65/94/558346594.db2.gz UUFHTADOTQLUNF-UHFFFAOYSA-N 1 0 405.590 5.149 50 0 HKAARO COc1cccc(CC[NH2+]Cc2cc3ccc(SC)cc3nc2-c2cccs2)c1 ZINC000020206988 525901856 /nfs/dbraw/zinc/90/18/56/525901856.db2.gz KGDIXLKMUODRDD-UHFFFAOYSA-N 1 0 420.603 6.026 50 0 HKAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000020210003 558347529 /nfs/dbraw/zinc/34/75/29/558347529.db2.gz CGOWRLHDNWZTEC-UHFFFAOYSA-N 1 0 413.521 5.379 50 0 HKAARO O[C@@](C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219110 568594869 /nfs/dbraw/zinc/59/48/69/568594869.db2.gz QFDUAGXNYOOMPH-NRFANRHFSA-N 1 0 406.740 5.673 50 0 HKAARO O[C@](C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219111 568594907 /nfs/dbraw/zinc/59/49/07/568594907.db2.gz QFDUAGXNYOOMPH-OAQYLSRUSA-N 1 0 406.740 5.673 50 0 HKAARO O[C@@](C[NH2+]Cc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219117 568595006 /nfs/dbraw/zinc/59/50/06/568595006.db2.gz NGZHSBLEKIJMFY-NRFANRHFSA-N 1 0 405.847 5.385 50 0 HKAARO O[C@](C[NH2+]Cc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219118 568594911 /nfs/dbraw/zinc/59/49/11/568594911.db2.gz NGZHSBLEKIJMFY-OAQYLSRUSA-N 1 0 405.847 5.385 50 0 HKAARO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1Cl ZINC000020228396 558349638 /nfs/dbraw/zinc/34/96/38/558349638.db2.gz JKTBHRNHVWNELK-UHFFFAOYSA-N 1 0 424.766 5.722 50 0 HKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000020240762 526741213 /nfs/dbraw/zinc/74/12/13/526741213.db2.gz NZMPXAVHVSKSSI-LYHRCORUSA-N 1 0 423.601 5.111 50 0 HKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000020240764 568595835 /nfs/dbraw/zinc/59/58/35/568595835.db2.gz NZMPXAVHVSKSSI-GEQKSPFYSA-N 1 0 423.601 5.111 50 0 HKAARO Fc1ccc(-n2cc(C[NH2+]CCc3ccccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000020255398 558351867 /nfs/dbraw/zinc/35/18/67/558351867.db2.gz VVEYWVLTXOWUHL-UHFFFAOYSA-N 1 0 406.892 5.059 50 0 HKAARO O=C(Nc1ccccc1-c1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020271793 558353171 /nfs/dbraw/zinc/35/31/71/558353171.db2.gz PQMWUVZVYHEPJQ-UHFFFAOYSA-N 1 0 418.540 6.164 50 0 HKAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286204 568596876 /nfs/dbraw/zinc/59/68/76/568596876.db2.gz PWJXPUDMKFNRTB-UHFFFAOYSA-N 1 0 423.969 5.307 50 0 HKAARO C[N@H+](CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)C1CCCCC1 ZINC000020286227 568596990 /nfs/dbraw/zinc/59/69/90/568596990.db2.gz SPXBBCHTOKEGCF-UHFFFAOYSA-N 1 0 401.963 5.097 50 0 HKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@@H+](C)Cc4ccccc4)sc3c2c1 ZINC000020321503 568598957 /nfs/dbraw/zinc/59/89/57/568598957.db2.gz JUEVTXULEOKHLN-UHFFFAOYSA-N 1 0 423.969 5.273 50 0 HKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)sc3c2c1 ZINC000020321564 568598725 /nfs/dbraw/zinc/59/87/25/568598725.db2.gz UYSILJWRFSNIAA-CQSZACIVSA-N 1 0 401.963 5.016 50 0 HKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)sc3c2c1 ZINC000020321570 568598891 /nfs/dbraw/zinc/59/88/91/568598891.db2.gz UYSILJWRFSNIAA-AWEZNQCLSA-N 1 0 401.963 5.016 50 0 HKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](C2CCSCC2)CC1 ZINC000020326164 558355636 /nfs/dbraw/zinc/35/56/36/558355636.db2.gz PQNPZNZCIBBANC-UHFFFAOYSA-N 1 0 419.594 5.381 50 0 HKAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327765 558355956 /nfs/dbraw/zinc/35/59/56/558355956.db2.gz UBTOTVUWIBEOGG-LJQANCHMSA-N 1 0 420.509 5.075 50 0 HKAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327770 558355883 /nfs/dbraw/zinc/35/58/83/558355883.db2.gz UBTOTVUWIBEOGG-IBGZPJMESA-N 1 0 420.509 5.075 50 0 HKAARO Clc1ccc(-c2noc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c32)cc1 ZINC000020329553 568599109 /nfs/dbraw/zinc/59/91/09/568599109.db2.gz VHMBLAAKVHIXHC-UHFFFAOYSA-N 1 0 419.916 5.015 50 0 HKAARO CC[N@H+](CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)Cc1ccccc1 ZINC000020330045 568599052 /nfs/dbraw/zinc/59/90/52/568599052.db2.gz LMSRDFBTMQLBFF-UHFFFAOYSA-N 1 0 421.932 5.262 50 0 HKAARO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020363981 558358472 /nfs/dbraw/zinc/35/84/72/558358472.db2.gz IQAFQKLAZLWOAU-UHFFFAOYSA-N 1 0 411.332 5.804 50 0 HKAARO OC(C[NH2+]Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365329 527503112 /nfs/dbraw/zinc/50/31/12/527503112.db2.gz DUOOPYVZYTVKTH-UHFFFAOYSA-N 1 0 406.740 5.673 50 0 HKAARO OC(C[NH2+]Cc1ccccc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365337 568601322 /nfs/dbraw/zinc/60/13/22/568601322.db2.gz UIUYZFWJZHZEML-UHFFFAOYSA-N 1 0 406.740 5.673 50 0 HKAARO COc1cccc(C[NH2+]CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000020365339 568601354 /nfs/dbraw/zinc/60/13/54/568601354.db2.gz IHESIDBSDQSQLP-UHFFFAOYSA-N 1 0 402.321 5.028 50 0 HKAARO COc1ccc(C[NH2+]CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000020365342 568601264 /nfs/dbraw/zinc/60/12/64/568601264.db2.gz BGVKRGSSHQCQDF-UHFFFAOYSA-N 1 0 402.321 5.028 50 0 HKAARO OC(C[NH2+]Cc1cccc(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365344 568601317 /nfs/dbraw/zinc/60/13/17/568601317.db2.gz GMCBCRQQVNSGKQ-UHFFFAOYSA-N 1 0 406.740 5.673 50 0 HKAARO COc1ccccc1C[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365351 568601334 /nfs/dbraw/zinc/60/13/34/568601334.db2.gz NMEOYLUNPQMPFS-UHFFFAOYSA-N 1 0 402.321 5.028 50 0 HKAARO FCCCOc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020365649 558358509 /nfs/dbraw/zinc/35/85/09/558358509.db2.gz IQIYVDXBAHBKHO-UHFFFAOYSA-N 1 0 418.556 5.332 50 0 HKAARO OC(C[NH2+]Cc1cccc(C(F)(F)F)c1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365929 568601356 /nfs/dbraw/zinc/60/13/56/568601356.db2.gz SQKLMFBWUXKBPJ-UHFFFAOYSA-N 1 0 407.382 5.009 50 0 HKAARO OC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365930 568601287 /nfs/dbraw/zinc/60/12/87/568601287.db2.gz GPVBSYHHRZBBEA-UHFFFAOYSA-N 1 0 408.275 5.297 50 0 HKAARO OC(C[NH2+]Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365932 568601234 /nfs/dbraw/zinc/60/12/34/568601234.db2.gz QMTPFDCTDDBZNJ-UHFFFAOYSA-N 1 0 408.275 5.297 50 0 HKAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c1 ZINC000020366669 568601320 /nfs/dbraw/zinc/60/13/20/568601320.db2.gz RAYGZJINLPCYEI-UHFFFAOYSA-N 1 0 416.956 5.285 50 0 HKAARO C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388376 568604048 /nfs/dbraw/zinc/60/40/48/568604048.db2.gz ONLWOWZCJPRUQU-CXAHNHKCSA-N 1 0 401.506 5.541 50 0 HKAARO C[C@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388383 525092315 /nfs/dbraw/zinc/09/23/15/525092315.db2.gz ONLWOWZCJPRUQU-CQEOPILBSA-N 1 0 401.506 5.541 50 0 HKAARO C[C@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388394 558359139 /nfs/dbraw/zinc/35/91/39/558359139.db2.gz ONLWOWZCJPRUQU-RBWOYHBQSA-N 1 0 401.506 5.541 50 0 HKAARO Cc1sc2ncnc(N3CC[NH+](Cc4c(C)ccc5ccccc54)CC3)c2c1C ZINC000020389576 558358986 /nfs/dbraw/zinc/35/89/86/558358986.db2.gz BAFNBMSEJBJSRV-UHFFFAOYSA-N 1 0 402.567 5.092 50 0 HKAARO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OC1CCCC1 ZINC000020406702 558360154 /nfs/dbraw/zinc/36/01/54/558360154.db2.gz UBWUXHOFFFJAQR-UHFFFAOYSA-N 1 0 404.348 5.111 50 0 HKAARO Cc1ccc2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020412445 568605558 /nfs/dbraw/zinc/60/55/58/568605558.db2.gz FOFGTZXGVUBESO-UHFFFAOYSA-N 1 0 424.544 5.009 50 0 HKAARO CCCCCC[C@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440928 568607555 /nfs/dbraw/zinc/60/75/55/568607555.db2.gz QZUFSPZAWBUSIV-SVBPBHIXSA-N 1 0 409.614 5.523 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440932 568607635 /nfs/dbraw/zinc/60/76/35/568607635.db2.gz QZUFSPZAWBUSIV-RRPNLBNLSA-N 1 0 409.614 5.523 50 0 HKAARO CCCCCC[C@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440936 568607537 /nfs/dbraw/zinc/60/75/37/568607537.db2.gz QZUFSPZAWBUSIV-SXOMAYOGSA-N 1 0 409.614 5.523 50 0 HKAARO CCCCCC[C@@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440940 520121967 /nfs/dbraw/zinc/12/19/67/520121967.db2.gz QZUFSPZAWBUSIV-KAYWLYCHSA-N 1 0 409.614 5.523 50 0 HKAARO CCCC[C@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447346 521256172 /nfs/dbraw/zinc/25/61/72/521256172.db2.gz FKUGFLZNMISZBE-DQEYMECFSA-N 1 0 416.005 5.396 50 0 HKAARO CCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447349 568608574 /nfs/dbraw/zinc/60/85/74/568608574.db2.gz FKUGFLZNMISZBE-LOSJGSFVSA-N 1 0 416.005 5.396 50 0 HKAARO CCCC[C@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447353 568608461 /nfs/dbraw/zinc/60/84/61/568608461.db2.gz FKUGFLZNMISZBE-RPBOFIJWSA-N 1 0 416.005 5.396 50 0 HKAARO CCCC[C@@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447356 568608472 /nfs/dbraw/zinc/60/84/72/568608472.db2.gz FKUGFLZNMISZBE-JWQCQUIFSA-N 1 0 416.005 5.396 50 0 HKAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000020449621 558364786 /nfs/dbraw/zinc/36/47/86/558364786.db2.gz JOLXZLRFZARRDP-FQEVSTJZSA-N 1 0 404.514 5.302 50 0 HKAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000020449623 558364842 /nfs/dbraw/zinc/36/48/42/558364842.db2.gz JOLXZLRFZARRDP-HXUWFJFHSA-N 1 0 404.514 5.302 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450490 558365242 /nfs/dbraw/zinc/36/52/42/558365242.db2.gz NMQBXRQUFCEYQM-LJQANCHMSA-N 1 0 417.509 5.488 50 0 HKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450492 558365322 /nfs/dbraw/zinc/36/53/22/558365322.db2.gz NMQBXRQUFCEYQM-IBGZPJMESA-N 1 0 417.509 5.488 50 0 HKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)o1 ZINC000020452840 558367204 /nfs/dbraw/zinc/36/72/04/558367204.db2.gz WOLUZFDMTOFZEW-UHFFFAOYSA-N 1 0 415.493 5.247 50 0 HKAARO CCc1ccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)nc1 ZINC000020454103 558368061 /nfs/dbraw/zinc/36/80/61/558368061.db2.gz PFNFTXAXKKWMGW-UHFFFAOYSA-N 1 0 400.501 5.234 50 0 HKAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)cc1 ZINC000020455796 558369530 /nfs/dbraw/zinc/36/95/30/558369530.db2.gz QUDBPHLSWHYWRD-UHFFFAOYSA-N 1 0 417.557 5.235 50 0 HKAARO CCc1ccc([C@](O)([C@@H](C[NH+]2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463008 568609876 /nfs/dbraw/zinc/60/98/76/568609876.db2.gz MBOCKRYKCNJCRC-SVBPBHIXSA-N 1 0 407.598 5.133 50 0 HKAARO CCc1ccc([C@@](O)([C@@H](C[NH+]2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463013 568609879 /nfs/dbraw/zinc/60/98/79/568609879.db2.gz MBOCKRYKCNJCRC-RRPNLBNLSA-N 1 0 407.598 5.133 50 0 HKAARO CCc1ccc([C@](O)([C@H](C[NH+]2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463017 568610000 /nfs/dbraw/zinc/61/00/00/568610000.db2.gz MBOCKRYKCNJCRC-SXOMAYOGSA-N 1 0 407.598 5.133 50 0 HKAARO CCc1ccc([C@@](O)([C@H](C[NH+]2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463020 568609859 /nfs/dbraw/zinc/60/98/59/568609859.db2.gz MBOCKRYKCNJCRC-KAYWLYCHSA-N 1 0 407.598 5.133 50 0 HKAARO Cc1c(C[NH2+]C[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000020476809 558374464 /nfs/dbraw/zinc/37/44/64/558374464.db2.gz ZUKKDQQHQRVVSI-RUZDIDTESA-N 1 0 404.941 5.475 50 0 HKAARO Cc1c(C[NH2+]C[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000020476811 558374488 /nfs/dbraw/zinc/37/44/88/558374488.db2.gz ZUKKDQQHQRVVSI-VWLOTQADSA-N 1 0 404.941 5.475 50 0 HKAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCc2cccnc2)c(C)s1 ZINC000020481136 558374899 /nfs/dbraw/zinc/37/48/99/558374899.db2.gz DSGGFFXNHDELPV-UHFFFAOYSA-N 1 0 406.530 5.084 50 0 HKAARO Cc1ccc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020502282 568619545 /nfs/dbraw/zinc/61/95/45/568619545.db2.gz AWNDKLRWLGSAFE-UHFFFAOYSA-N 1 0 424.544 5.009 50 0 HKAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)c(Oc3ccccc3)c1)[NH2+]CC2 ZINC000020506926 558381791 /nfs/dbraw/zinc/38/17/91/558381791.db2.gz LDMXEAMEMHPUAB-VWLOTQADSA-N 1 0 407.485 5.651 50 0 HKAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)c(Oc3ccccc3)c1)[NH2+]CC2 ZINC000020506928 558381605 /nfs/dbraw/zinc/38/16/05/558381605.db2.gz LDMXEAMEMHPUAB-RUZDIDTESA-N 1 0 407.485 5.651 50 0 HKAARO Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c1CO2 ZINC000020510044 568620875 /nfs/dbraw/zinc/62/08/75/568620875.db2.gz ZBFYDEPUINKZEJ-UHFFFAOYSA-N 1 0 417.509 5.027 50 0 HKAARO Cc1scc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1-c1ccc(C)cc1 ZINC000020514456 568622329 /nfs/dbraw/zinc/62/23/29/568622329.db2.gz KEUOWIXOZBRCDR-UHFFFAOYSA-N 1 0 420.578 5.078 50 0 HKAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000020532096 568627882 /nfs/dbraw/zinc/62/78/82/568627882.db2.gz FPLKGXYGMABAFP-UHFFFAOYSA-N 1 0 417.475 5.008 50 0 HKAARO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020532112 568627826 /nfs/dbraw/zinc/62/78/26/568627826.db2.gz TWYOHVHNCJSNKD-KRWDZBQOSA-N 1 0 417.475 5.008 50 0 HKAARO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020532113 568627819 /nfs/dbraw/zinc/62/78/19/568627819.db2.gz TWYOHVHNCJSNKD-QGZVFWFLSA-N 1 0 417.475 5.008 50 0 HKAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020532114 568627720 /nfs/dbraw/zinc/62/77/20/568627720.db2.gz GQWUOZNRYNHUKD-KRWDZBQOSA-N 1 0 417.475 5.008 50 0 HKAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020532115 568627912 /nfs/dbraw/zinc/62/79/12/568627912.db2.gz GQWUOZNRYNHUKD-QGZVFWFLSA-N 1 0 417.475 5.008 50 0 HKAARO CCOc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C)CC3)c(C)o2)cc1 ZINC000020539159 520815906 /nfs/dbraw/zinc/81/59/06/520815906.db2.gz YAKKHZVVJWGXNH-UHFFFAOYSA-N 1 0 405.542 5.069 50 0 HKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccc(C)cc1 ZINC000020573273 520725830 /nfs/dbraw/zinc/72/58/30/520725830.db2.gz ZNMLYDXPWJUNHG-INIZCTEOSA-N 1 0 406.364 5.623 50 0 HKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccc(C)cc1 ZINC000020573275 520728374 /nfs/dbraw/zinc/72/83/74/520728374.db2.gz ZNMLYDXPWJUNHG-MRXNPFEDSA-N 1 0 406.364 5.623 50 0 HKAARO CC1CC[NH+](Cc2ccc(Nc3ncnc4onc(-c5ccc(F)cc5)c43)cc2)CC1 ZINC000020574511 521026084 /nfs/dbraw/zinc/02/60/84/521026084.db2.gz NJYGMNPZMFBTSR-UHFFFAOYSA-N 1 0 417.488 5.399 50 0 HKAARO Fc1ccc(-c2noc3ncnc(NCc4ccc(C[NH+]5CCCCCC5)o4)c32)cc1 ZINC000020574521 526319808 /nfs/dbraw/zinc/31/98/08/526319808.db2.gz PQGWSBVUVHUDFQ-UHFFFAOYSA-N 1 0 421.476 5.005 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575554 523177746 /nfs/dbraw/zinc/17/77/46/523177746.db2.gz KDZALDFJQRPMBQ-LJQANCHMSA-N 1 0 416.525 5.004 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575555 523029382 /nfs/dbraw/zinc/02/93/82/523029382.db2.gz KDZALDFJQRPMBQ-IBGZPJMESA-N 1 0 416.525 5.004 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020594952 521362464 /nfs/dbraw/zinc/36/24/64/521362464.db2.gz VAVIQAWQZSJDQG-UHFFFAOYSA-N 1 0 410.606 5.731 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000020594972 521362144 /nfs/dbraw/zinc/36/21/44/521362144.db2.gz FTBZDMOLGIWTEB-UHFFFAOYSA-N 1 0 418.585 5.773 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020594978 521362062 /nfs/dbraw/zinc/36/20/62/521362062.db2.gz KLQPWONEPSYMQW-UHFFFAOYSA-N 1 0 418.585 5.773 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020594982 521360990 /nfs/dbraw/zinc/36/09/90/521360990.db2.gz AQOGQDSBZISJJU-UHFFFAOYSA-N 1 0 404.558 5.465 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020594984 521362104 /nfs/dbraw/zinc/36/21/04/521362104.db2.gz WHVXEIKRBHEQHB-UHFFFAOYSA-N 1 0 418.585 5.773 50 0 HKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020594992 521362039 /nfs/dbraw/zinc/36/20/39/521362039.db2.gz BOMSCYSHGSIEAW-UHFFFAOYSA-N 1 0 410.587 5.526 50 0 HKAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020599607 526728575 /nfs/dbraw/zinc/72/85/75/526728575.db2.gz FWEYLYYRRVKQTH-OAHLLOKOSA-N 1 0 409.436 5.449 50 0 HKAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020599608 526728837 /nfs/dbraw/zinc/72/88/37/526728837.db2.gz FWEYLYYRRVKQTH-HNNXBMFYSA-N 1 0 409.436 5.449 50 0 HKAARO CSC(C)(C)C[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000020600080 525293690 /nfs/dbraw/zinc/29/36/90/525293690.db2.gz XGNZFAKEHMJGIN-GOSISDBHSA-N 1 0 414.619 5.001 50 0 HKAARO CSC(C)(C)C[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000020600081 525291819 /nfs/dbraw/zinc/29/18/19/525291819.db2.gz XGNZFAKEHMJGIN-SFHVURJKSA-N 1 0 414.619 5.001 50 0 HKAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600493 526932548 /nfs/dbraw/zinc/93/25/48/526932548.db2.gz FPQYGNSJVDUEFQ-LJQANCHMSA-N 1 0 417.944 5.295 50 0 HKAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600494 526933520 /nfs/dbraw/zinc/93/35/20/526933520.db2.gz FPQYGNSJVDUEFQ-IBGZPJMESA-N 1 0 417.944 5.295 50 0 HKAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000020601756 527310409 /nfs/dbraw/zinc/31/04/09/527310409.db2.gz OANDXDLXOLQTSP-UHFFFAOYSA-N 1 0 400.478 5.544 50 0 HKAARO CC[NH+](CC)CCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000020610823 568637178 /nfs/dbraw/zinc/63/71/78/568637178.db2.gz QCFFHXKOLKCDBV-UHFFFAOYSA-N 1 0 414.553 5.153 50 0 biogenic HKAARO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000020616906 558393493 /nfs/dbraw/zinc/39/34/93/558393493.db2.gz UDUXPEPCGFEPON-UHFFFAOYSA-N 1 0 419.525 5.109 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020637316 558396480 /nfs/dbraw/zinc/39/64/80/558396480.db2.gz DBVBIEXJCNVDMF-UHFFFAOYSA-N 1 0 410.521 5.081 50 0 HKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000020777905 558412228 /nfs/dbraw/zinc/41/22/28/558412228.db2.gz KFWMLCORESJERM-QFIPXVFZSA-N 1 0 409.961 5.392 50 0 HKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000020777909 558412235 /nfs/dbraw/zinc/41/22/35/558412235.db2.gz KFWMLCORESJERM-JOCHJYFZSA-N 1 0 409.961 5.392 50 0 HKAARO COc1ccc2cc(C[NH2+]CCc3cccc(Cl)c3)c(-c3ccsc3)nc2c1 ZINC000020783714 558413048 /nfs/dbraw/zinc/41/30/48/558413048.db2.gz BNGDHYAANADLGQ-UHFFFAOYSA-N 1 0 408.954 5.958 50 0 HKAARO CCN(c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1)c1ccc(OC)cc1 ZINC000020807614 568644103 /nfs/dbraw/zinc/64/41/03/568644103.db2.gz HJPNFAIXWFLQBK-UHFFFAOYSA-N 1 0 401.555 6.063 50 0 HKAARO Fc1ccc(OCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020840197 558417102 /nfs/dbraw/zinc/41/71/02/558417102.db2.gz NBRCGYXCBNFBSK-UHFFFAOYSA-N 1 0 418.556 5.392 50 0 HKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncnc4c5ccccc5[nH]c43)CC2)cc1 ZINC000020840401 558417018 /nfs/dbraw/zinc/41/70/18/558417018.db2.gz DDSNVSFUIHQPOI-UHFFFAOYSA-N 1 0 419.532 5.023 50 0 HKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000020841158 558417240 /nfs/dbraw/zinc/41/72/40/558417240.db2.gz SNOAIVYYAVGEGQ-UHFFFAOYSA-N 1 0 422.572 5.626 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000020857249 558417604 /nfs/dbraw/zinc/41/76/04/558417604.db2.gz KDNXWGVVRBQHPB-IBGZPJMESA-N 1 0 415.537 5.502 50 0 HKAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000020857254 558417507 /nfs/dbraw/zinc/41/75/07/558417507.db2.gz KDNXWGVVRBQHPB-LJQANCHMSA-N 1 0 415.537 5.502 50 0 HKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020857676 568645778 /nfs/dbraw/zinc/64/57/78/568645778.db2.gz LYQNDXZSCFXFBO-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020858346 568645675 /nfs/dbraw/zinc/64/56/75/568645675.db2.gz IEBFVZCQJMRWQX-UHFFFAOYSA-N 1 0 422.550 5.075 50 0 HKAARO CC(C)[N@H+](CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)Cc1ccccc1 ZINC000020858352 568645743 /nfs/dbraw/zinc/64/57/43/568645743.db2.gz CKQLVIAAONSBGS-UHFFFAOYSA-N 1 0 420.578 5.338 50 0 HKAARO CCC[C@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868634 568647271 /nfs/dbraw/zinc/64/72/71/568647271.db2.gz YDUPEQQCLPGGEM-ZEQRLZLVSA-N 1 0 401.978 5.006 50 0 HKAARO CCC[C@@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868637 568647233 /nfs/dbraw/zinc/64/72/33/568647233.db2.gz YDUPEQQCLPGGEM-BJKOFHAPSA-N 1 0 401.978 5.006 50 0 HKAARO CCC[C@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868641 568647155 /nfs/dbraw/zinc/64/71/55/568647155.db2.gz YDUPEQQCLPGGEM-RPWUZVMVSA-N 1 0 401.978 5.006 50 0 HKAARO CCC[C@@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868645 568647142 /nfs/dbraw/zinc/64/71/42/568647142.db2.gz YDUPEQQCLPGGEM-DNQXCXABSA-N 1 0 401.978 5.006 50 0 HKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020869294 568647114 /nfs/dbraw/zinc/64/71/14/568647114.db2.gz KCZIKTLEQOULAW-UHFFFAOYSA-N 1 0 419.491 5.172 50 0 HKAARO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000020874216 558418570 /nfs/dbraw/zinc/41/85/70/558418570.db2.gz HKCCLXPMIUJPAB-UHFFFAOYSA-N 1 0 411.545 6.068 50 0 HKAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000020875654 558419210 /nfs/dbraw/zinc/41/92/10/558419210.db2.gz GAGHTLBHXHZSFO-UHFFFAOYSA-N 1 0 420.690 5.381 50 0 HKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2Br)cc1 ZINC000020876404 558419304 /nfs/dbraw/zinc/41/93/04/558419304.db2.gz WWGGSSZRGDEPEZ-UHFFFAOYSA-N 1 0 416.746 5.971 50 0 HKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2Br)cc1 ZINC000020876406 558419266 /nfs/dbraw/zinc/41/92/66/558419266.db2.gz JAYZJUXWUFBORB-UHFFFAOYSA-N 1 0 408.767 6.104 50 0 HKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2Br)cc1 ZINC000020876435 558419370 /nfs/dbraw/zinc/41/93/70/558419370.db2.gz ATKSTJDEASRUTA-UHFFFAOYSA-N 1 0 417.734 5.366 50 0 HKAARO CSc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000020889557 568647797 /nfs/dbraw/zinc/64/77/97/568647797.db2.gz DQWJHUIVLKNIOH-UHFFFAOYSA-N 1 0 403.979 5.096 50 0 HKAARO CSc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000020889575 568647674 /nfs/dbraw/zinc/64/76/74/568647674.db2.gz HAZLCYPUIPNMOL-UHFFFAOYSA-N 1 0 403.979 5.096 50 0 HKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020889595 568647629 /nfs/dbraw/zinc/64/76/29/568647629.db2.gz CETMVZMPXNISCN-UHFFFAOYSA-N 1 0 405.464 5.048 50 0 HKAARO CSc1cccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000020889621 568647609 /nfs/dbraw/zinc/64/76/09/568647609.db2.gz LXXSFTOXPYKTPJ-UHFFFAOYSA-N 1 0 403.979 5.096 50 0 HKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000020889783 568647774 /nfs/dbraw/zinc/64/77/74/568647774.db2.gz RPJOGEOUTKUUKN-UHFFFAOYSA-N 1 0 419.491 5.356 50 0 HKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000020889980 568647750 /nfs/dbraw/zinc/64/77/50/568647750.db2.gz CNWKEZXYIJJSRW-UHFFFAOYSA-N 1 0 413.565 5.696 50 0 HKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1cccc2c1CCCC2 ZINC000020890010 568647605 /nfs/dbraw/zinc/64/76/05/568647605.db2.gz LSZKRPTXAHWCCS-UHFFFAOYSA-N 1 0 411.977 5.253 50 0 HKAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000020906564 558421191 /nfs/dbraw/zinc/42/11/91/558421191.db2.gz KRFDQXAOFQAVFR-UHFFFAOYSA-N 1 0 416.550 5.142 50 0 HKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020908937 558421802 /nfs/dbraw/zinc/42/18/02/558421802.db2.gz LZOPBXHPYWINKI-QGZVFWFLSA-N 1 0 407.901 5.824 50 0 HKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020908940 558421655 /nfs/dbraw/zinc/42/16/55/558421655.db2.gz LZOPBXHPYWINKI-KRWDZBQOSA-N 1 0 407.901 5.824 50 0 HKAARO Fc1ccc(-n2cc(C[NH2+]CCc3cccnc3)c(-c3ccccc3Cl)n2)cc1 ZINC000020912197 558422319 /nfs/dbraw/zinc/42/23/19/558422319.db2.gz CQUHQQOPIXROFE-UHFFFAOYSA-N 1 0 406.892 5.059 50 0 HKAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918406 558423055 /nfs/dbraw/zinc/42/30/55/558423055.db2.gz GBWVZNROGHUIMZ-QGZVFWFLSA-N 1 0 423.973 5.357 50 0 HKAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918414 558423048 /nfs/dbraw/zinc/42/30/48/558423048.db2.gz GBWVZNROGHUIMZ-KRWDZBQOSA-N 1 0 423.973 5.357 50 0 HKAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1C ZINC000020941330 568652728 /nfs/dbraw/zinc/65/27/28/568652728.db2.gz VXWSSUSYNIAWCC-UHFFFAOYSA-N 1 0 422.960 5.170 50 0 HKAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](OC)c2cccs2)c1 ZINC000020992025 558425932 /nfs/dbraw/zinc/42/59/32/558425932.db2.gz ITNHGZQRRVEDQI-QFIPXVFZSA-N 1 0 419.550 5.087 50 0 HKAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](OC)c2cccs2)c1 ZINC000020992029 558426111 /nfs/dbraw/zinc/42/61/11/558426111.db2.gz ITNHGZQRRVEDQI-JOCHJYFZSA-N 1 0 419.550 5.087 50 0 HKAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000020992959 558426205 /nfs/dbraw/zinc/42/62/05/558426205.db2.gz LYBUGUDOPSNIAZ-UHFFFAOYSA-N 1 0 423.923 5.004 50 0 HKAARO CSCCC[NH+]1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000020997807 558427017 /nfs/dbraw/zinc/42/70/17/558427017.db2.gz QXFQJXJKCOESFX-UHFFFAOYSA-N 1 0 407.583 5.239 50 0 HKAARO Clc1ccc(-c2nc3ccccc3c(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000021043118 568660080 /nfs/dbraw/zinc/66/00/80/568660080.db2.gz JQJHJNJSUWDDHL-UHFFFAOYSA-N 1 0 406.961 5.405 50 0 HKAARO Cc1ccc2nc3sc(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)cc3cc2c1 ZINC000021087492 568661174 /nfs/dbraw/zinc/66/11/74/568661174.db2.gz XKTWBHGGAVNSRO-UHFFFAOYSA-N 1 0 415.562 5.996 50 0 HKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cccc2c1CCCC2 ZINC000021174896 568677057 /nfs/dbraw/zinc/67/70/57/568677057.db2.gz HXGCROWVNXGPSO-UHFFFAOYSA-N 1 0 411.977 5.253 50 0 HKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3cccc4c3CCCC4)CC2)c1 ZINC000021175470 568677093 /nfs/dbraw/zinc/67/70/93/568677093.db2.gz NKPDZGXGEFDEDN-UHFFFAOYSA-N 1 0 405.586 5.216 50 0 HKAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000021584298 558442283 /nfs/dbraw/zinc/44/22/83/558442283.db2.gz IMDCVMLSARQXGN-RUZDIDTESA-N 1 0 423.988 5.883 50 0 HKAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000021584301 558442295 /nfs/dbraw/zinc/44/22/95/558442295.db2.gz IMDCVMLSARQXGN-VWLOTQADSA-N 1 0 423.988 5.883 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659822 558444971 /nfs/dbraw/zinc/44/49/71/558444971.db2.gz MDHKAMBEFPDWCR-NRFANRHFSA-N 1 0 408.542 5.462 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659824 558444919 /nfs/dbraw/zinc/44/49/19/558444919.db2.gz MDHKAMBEFPDWCR-OAQYLSRUSA-N 1 0 408.542 5.462 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)c(C)c2c1 ZINC000021659830 558444881 /nfs/dbraw/zinc/44/48/81/558444881.db2.gz IHWDNVFTLTWDJR-OAQYLSRUSA-N 1 0 408.542 5.408 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)c(C)c2c1 ZINC000021659832 558444899 /nfs/dbraw/zinc/44/48/99/558444899.db2.gz IHWDNVFTLTWDJR-NRFANRHFSA-N 1 0 408.542 5.408 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659838 558444904 /nfs/dbraw/zinc/44/49/04/558444904.db2.gz LBWVGLODZKNUSY-NRFANRHFSA-N 1 0 408.542 5.462 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659840 558444966 /nfs/dbraw/zinc/44/49/66/558444966.db2.gz LBWVGLODZKNUSY-OAQYLSRUSA-N 1 0 408.542 5.462 50 0 HKAARO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2cccc(-c3cccs3)c2n1 ZINC000021705042 568743383 /nfs/dbraw/zinc/74/33/83/568743383.db2.gz GHIKCQOWGKHTJN-UHFFFAOYSA-N 1 0 419.594 5.362 50 0 HKAARO Clc1cccc(-c2noc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c32)c1 ZINC000021714565 568748816 /nfs/dbraw/zinc/74/88/16/568748816.db2.gz FMKDDSQXICBPTB-UHFFFAOYSA-N 1 0 419.916 5.015 50 0 HKAARO CCc1cc2c(ncnc2NCC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000021716298 568749879 /nfs/dbraw/zinc/74/98/79/568749879.db2.gz IHHUHSLALAPVNS-UHFFFAOYSA-N 1 0 400.979 5.231 50 0 HKAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccc(C(C)(C)C)cc4)nn3cnc21 ZINC000021801841 558450314 /nfs/dbraw/zinc/45/03/14/558450314.db2.gz ICGVCTZHPOVXMT-UHFFFAOYSA-N 1 0 418.589 5.002 50 0 HKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCC2)cc1 ZINC000021805326 558450275 /nfs/dbraw/zinc/45/02/75/558450275.db2.gz MQQGCJCLLWDTJZ-HXUWFJFHSA-N 1 0 423.582 5.268 50 0 HKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCC2)cc1 ZINC000021805329 558450319 /nfs/dbraw/zinc/45/03/19/558450319.db2.gz MQQGCJCLLWDTJZ-FQEVSTJZSA-N 1 0 423.582 5.268 50 0 HKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805653 558951901 /nfs/dbraw/zinc/95/19/01/558951901.db2.gz ZFQSCNKMQRKADV-SANMLTNESA-N 1 0 424.548 5.699 50 0 HKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805656 558951913 /nfs/dbraw/zinc/95/19/13/558951913.db2.gz ZFQSCNKMQRKADV-AREMUKBSSA-N 1 0 424.548 5.699 50 0 HKAARO CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000021868987 568756138 /nfs/dbraw/zinc/75/61/38/568756138.db2.gz AXPXLXGROJKTGC-LJQANCHMSA-N 1 0 408.571 5.108 50 0 HKAARO CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000021868990 568756075 /nfs/dbraw/zinc/75/60/75/568756075.db2.gz AXPXLXGROJKTGC-IBGZPJMESA-N 1 0 408.571 5.108 50 0 HKAARO Clc1ccc(-c2csc3ncnc(NCC[N@@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021933162 568761688 /nfs/dbraw/zinc/76/16/88/568761688.db2.gz ZSKKSFZMHKUGNZ-UHFFFAOYSA-N 1 0 420.969 5.482 50 0 HKAARO C[N@H+](CCCNC(=O)c1ccccc1SCc1cccs1)Cc1ccccc1 ZINC000021939049 568472494 /nfs/dbraw/zinc/47/24/94/568472494.db2.gz ZERILWLDFVUKQE-UHFFFAOYSA-N 1 0 410.608 5.292 50 0 HKAARO C[N@H+](CCCNC(=O)c1ccccc1SCc1ccsc1)Cc1ccccc1 ZINC000021939094 558456469 /nfs/dbraw/zinc/45/64/69/558456469.db2.gz CVGANSAQBNAVKW-UHFFFAOYSA-N 1 0 410.608 5.292 50 0 HKAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2SCc2cccs2)cc1 ZINC000021960217 558982722 /nfs/dbraw/zinc/98/27/22/558982722.db2.gz GDFLQIQEUKKQAZ-UHFFFAOYSA-N 1 0 424.635 5.812 50 0 HKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1SCc1ccsc1 ZINC000021961000 558456709 /nfs/dbraw/zinc/45/67/09/558456709.db2.gz NEMDEGSIUAIUBE-UHFFFAOYSA-N 1 0 424.635 5.812 50 0 HKAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1SCc1cccs1 ZINC000021962456 558982651 /nfs/dbraw/zinc/98/26/51/558982651.db2.gz WPARADCULNGIDV-UHFFFAOYSA-N 1 0 422.619 5.566 50 0 HKAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1SCc1ccsc1 ZINC000021962553 558982712 /nfs/dbraw/zinc/98/27/12/558982712.db2.gz NZICJITUWGYVGY-UHFFFAOYSA-N 1 0 422.619 5.566 50 0 HKAARO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[N@H+](CCCc1ccccc1)CC2 ZINC000022022988 558458620 /nfs/dbraw/zinc/45/86/20/558458620.db2.gz SHXRSKZZJYKRPW-SANMLTNESA-N 1 0 405.513 5.423 50 0 HKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)[N@H+](CCCc1ccccc1)CC2 ZINC000022022989 558458561 /nfs/dbraw/zinc/45/85/61/558458561.db2.gz SHXRSKZZJYKRPW-AREMUKBSSA-N 1 0 405.513 5.423 50 0 HKAARO c1cn(CCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035648 558459310 /nfs/dbraw/zinc/45/93/10/558459310.db2.gz LMHLQJPFNQJKMD-UHFFFAOYSA-N 1 0 423.604 5.829 50 0 HKAARO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000022053829 558459921 /nfs/dbraw/zinc/45/99/21/558459921.db2.gz YTFUQWWKTIWYEY-CQLNOVPUSA-N 1 0 406.957 5.885 50 0 in-vitro HKAARO O=C(Nc1cccc(Cl)c1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022064184 558461154 /nfs/dbraw/zinc/46/11/54/558461154.db2.gz CVDLZITUJYNWGP-UHFFFAOYSA-N 1 0 411.332 5.804 50 0 HKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c(C)c2)CC1 ZINC000022067985 558461271 /nfs/dbraw/zinc/46/12/71/558461271.db2.gz MHRYCDXWUPSZGT-UHFFFAOYSA-N 1 0 423.557 5.257 50 0 HKAARO CCOC(=O)C1CC[NH+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 ZINC000022077643 558778982 /nfs/dbraw/zinc/77/89/82/558778982.db2.gz IWPNSCDAVHCRRA-UHFFFAOYSA-N 1 0 407.510 5.192 50 0 HKAARO Cc1cc(C)c(-n2cccc2C[NH2+]C2CCN(CCc3ccccc3)CC2)c(C)c1 ZINC000022077804 558462713 /nfs/dbraw/zinc/46/27/13/558462713.db2.gz WROOLCRGWWDIBZ-UHFFFAOYSA-N 1 0 401.598 5.199 50 0 HKAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199740 558466367 /nfs/dbraw/zinc/46/63/67/558466367.db2.gz BLTJNQXEIDIGFW-SFHVURJKSA-N 1 0 423.340 5.176 50 0 HKAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199745 558466372 /nfs/dbraw/zinc/46/63/72/558466372.db2.gz BLTJNQXEIDIGFW-GOSISDBHSA-N 1 0 423.340 5.176 50 0 HKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022199940 558466293 /nfs/dbraw/zinc/46/62/93/558466293.db2.gz LTEPCWJCEKRYME-FQEVSTJZSA-N 1 0 421.368 5.948 50 0 HKAARO COc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022199943 558466314 /nfs/dbraw/zinc/46/63/14/558466314.db2.gz LTEPCWJCEKRYME-HXUWFJFHSA-N 1 0 421.368 5.948 50 0 HKAARO c1[nH]c2ccccc2c1CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000022205216 558466544 /nfs/dbraw/zinc/46/65/44/558466544.db2.gz MXECCMWWXQDAGI-UHFFFAOYSA-N 1 0 402.541 6.292 50 0 HKAARO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022238492 558471489 /nfs/dbraw/zinc/47/14/89/558471489.db2.gz HVPCAIYDAACCPU-UHFFFAOYSA-N 1 0 410.439 5.516 50 0 HKAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022241712 558471733 /nfs/dbraw/zinc/47/17/33/558471733.db2.gz HEQOAWDOMMJVNG-UHFFFAOYSA-N 1 0 416.565 5.138 50 0 HKAARO Cc1cn(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022454841 558490251 /nfs/dbraw/zinc/49/02/51/558490251.db2.gz YZMISAQUGOJTJU-UHFFFAOYSA-N 1 0 423.604 5.747 50 0 HKAARO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454878 558490228 /nfs/dbraw/zinc/49/02/28/558490228.db2.gz QXJYXZFEVBWHJO-UHFFFAOYSA-N 1 0 417.503 5.353 50 0 HKAARO c1[nH]c2ccccc2c1CCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022454881 558490217 /nfs/dbraw/zinc/49/02/17/558490217.db2.gz RNSSHWWJDFKKNX-UHFFFAOYSA-N 1 0 409.577 5.508 50 0 biogenic HKAARO Cc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454886 558490256 /nfs/dbraw/zinc/49/02/56/558490256.db2.gz ZKKRFYAEWBLTKZ-GDLZYMKVSA-N 1 0 423.604 5.816 50 0 biogenic HKAARO Cc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454890 558490272 /nfs/dbraw/zinc/49/02/72/558490272.db2.gz ZKKRFYAEWBLTKZ-LJAQVGFWSA-N 1 0 423.604 5.816 50 0 biogenic HKAARO C[NH+]1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459472 558490526 /nfs/dbraw/zinc/49/05/26/558490526.db2.gz VLFRFTIUJYIZDW-VWLOTQADSA-N 1 0 416.565 5.023 50 0 HKAARO C[NH+]1CCN(CC[C@@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459478 558490390 /nfs/dbraw/zinc/49/03/90/558490390.db2.gz VLFRFTIUJYIZDW-RUZDIDTESA-N 1 0 416.565 5.023 50 0 HKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1SCc1ccsc1 ZINC000022463725 558490951 /nfs/dbraw/zinc/49/09/51/558490951.db2.gz RRBKMLQEXBLLAY-JOCHJYFZSA-N 1 0 422.619 5.607 50 0 HKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1SCc1ccsc1 ZINC000022463731 558490932 /nfs/dbraw/zinc/49/09/32/558490932.db2.gz RRBKMLQEXBLLAY-QFIPXVFZSA-N 1 0 422.619 5.607 50 0 HKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)C(Cl)(Cl)Cl)cc12)CC1CC1 ZINC000022622058 568772061 /nfs/dbraw/zinc/77/20/61/568772061.db2.gz CFGWHXMQJIIHSA-UHFFFAOYSA-N 1 0 416.780 5.141 50 0 HKAARO CC(C)(C)c1ccc(CC2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022623310 568772160 /nfs/dbraw/zinc/77/21/60/568772160.db2.gz QZRRLIZJFUJSBJ-UHFFFAOYSA-N 1 0 407.495 6.597 50 0 HKAARO CC(=O)Nc1ccc(CC2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022624012 557015868 /nfs/dbraw/zinc/01/58/68/557015868.db2.gz QFAFIKBWQJWYRH-UHFFFAOYSA-N 1 0 408.439 5.258 50 0 HKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022624145 557016335 /nfs/dbraw/zinc/01/63/35/557016335.db2.gz IIRWQFFBRFXZQK-LJQANCHMSA-N 1 0 411.590 5.630 50 0 HKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022624147 557016360 /nfs/dbraw/zinc/01/63/60/557016360.db2.gz IIRWQFFBRFXZQK-IBGZPJMESA-N 1 0 411.590 5.630 50 0 HKAARO C[NH+]1C(C)(C)CC(NC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)CC1(C)C ZINC000022642364 557488972 /nfs/dbraw/zinc/48/89/72/557488972.db2.gz AZTNXOGGKJUVQH-UHFFFAOYSA-N 1 0 423.601 5.771 50 0 HKAARO Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000022645448 557491621 /nfs/dbraw/zinc/49/16/21/557491621.db2.gz IFHCTEWBNQZMIX-UHFFFAOYSA-N 1 0 411.590 5.329 50 0 HKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022646810 557492131 /nfs/dbraw/zinc/49/21/31/557492131.db2.gz PBWOIWUPCQYCDY-OAHLLOKOSA-N 1 0 412.521 5.674 50 0 HKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022646814 557492104 /nfs/dbraw/zinc/49/21/04/557492104.db2.gz PBWOIWUPCQYCDY-HNNXBMFYSA-N 1 0 412.521 5.674 50 0 HKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000022653841 557649652 /nfs/dbraw/zinc/64/96/52/557649652.db2.gz PCIKBVUGGHXLJV-GFCCVEGCSA-N 1 0 420.928 5.814 50 0 HKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000022653844 557649649 /nfs/dbraw/zinc/64/96/49/557649649.db2.gz PCIKBVUGGHXLJV-LBPRGKRZSA-N 1 0 420.928 5.814 50 0 HKAARO Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000022656271 557673510 /nfs/dbraw/zinc/67/35/10/557673510.db2.gz IEBQZGAPJXYQSN-UHFFFAOYSA-N 1 0 423.479 5.050 50 0 HKAARO Brc1ccccc1C[NH+]1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022657479 557674502 /nfs/dbraw/zinc/67/45/02/557674502.db2.gz IXIOSHOQUVKRFL-UHFFFAOYSA-N 1 0 409.371 5.695 50 0 HKAARO COc1cc(C[NH+]2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1 ZINC000022670104 557736001 /nfs/dbraw/zinc/73/60/01/557736001.db2.gz XNFQKYITDDLWQV-UHFFFAOYSA-N 1 0 401.550 5.826 50 0 HKAARO Brc1ccccc1C[NH+]1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022670256 557735897 /nfs/dbraw/zinc/73/58/97/557735897.db2.gz WAFCJTROMWBUFW-UHFFFAOYSA-N 1 0 420.394 6.571 50 0 HKAARO Fc1ccc(C[NH+]2CCC(Cc3ccc(-n4cccc4)cc3)CC2)cc1C(F)(F)F ZINC000022673634 557736812 /nfs/dbraw/zinc/73/68/12/557736812.db2.gz UHXYCKQAYDXWMW-UHFFFAOYSA-N 1 0 416.462 6.090 50 0 HKAARO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc1 ZINC000022674092 557737470 /nfs/dbraw/zinc/73/74/70/557737470.db2.gz PGXBRDIITQNGNH-UHFFFAOYSA-N 1 0 403.570 5.791 50 0 HKAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 ZINC000022681570 557765546 /nfs/dbraw/zinc/76/55/46/557765546.db2.gz XCNOZYCBZSEIMC-INIZCTEOSA-N 1 0 410.555 5.266 50 0 HKAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 ZINC000022681573 568497356 /nfs/dbraw/zinc/49/73/56/568497356.db2.gz XCNOZYCBZSEIMC-MRXNPFEDSA-N 1 0 410.555 5.266 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 ZINC000022766962 568499247 /nfs/dbraw/zinc/49/92/47/568499247.db2.gz AGJULYHRYHKCQZ-FQEVSTJZSA-N 1 0 414.571 5.212 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 ZINC000022766965 568499261 /nfs/dbraw/zinc/49/92/61/568499261.db2.gz AGJULYHRYHKCQZ-HXUWFJFHSA-N 1 0 414.571 5.212 50 0 HKAARO CC(C)[NH+](CCN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C(C)C ZINC000022776742 558509635 /nfs/dbraw/zinc/50/96/35/558509635.db2.gz IQRCVAQGLRNWME-NRFANRHFSA-N 1 0 421.507 5.094 50 0 HKAARO CC(C)[NH+](CCN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C(C)C ZINC000022776747 558509629 /nfs/dbraw/zinc/50/96/29/558509629.db2.gz IQRCVAQGLRNWME-OAQYLSRUSA-N 1 0 421.507 5.094 50 0 HKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000022781858 569357617 /nfs/dbraw/zinc/35/76/17/569357617.db2.gz PDXVYZCYGBPUAD-OVHUPFAXSA-N 1 0 413.605 6.889 50 0 HKAARO CN(C)[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000022786052 568499657 /nfs/dbraw/zinc/49/96/57/568499657.db2.gz NDHRTFWFCAMKAR-QHCPKHFHSA-N 1 0 416.594 5.052 50 0 HKAARO CN(C)[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000022786058 568499654 /nfs/dbraw/zinc/49/96/54/568499654.db2.gz NDHRTFWFCAMKAR-HSZRJFAPSA-N 1 0 416.594 5.052 50 0 HKAARO C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022786628 558511088 /nfs/dbraw/zinc/51/10/88/558511088.db2.gz AEAQWYIHGFLSOS-NRFANRHFSA-N 1 0 424.548 5.205 50 0 HKAARO C[C@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022786634 558511072 /nfs/dbraw/zinc/51/10/72/558511072.db2.gz AEAQWYIHGFLSOS-OAQYLSRUSA-N 1 0 424.548 5.205 50 0 HKAARO O=C(Nc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000022787337 557820575 /nfs/dbraw/zinc/82/05/75/557820575.db2.gz CFLBFGKEICIKPG-QFIPXVFZSA-N 1 0 423.944 5.112 50 0 HKAARO O=C(Nc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000022787341 557820580 /nfs/dbraw/zinc/82/05/80/557820580.db2.gz CFLBFGKEICIKPG-JOCHJYFZSA-N 1 0 423.944 5.112 50 0 HKAARO COc1cc(Br)c(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1OC ZINC000022787752 568499673 /nfs/dbraw/zinc/49/96/73/568499673.db2.gz XXULJPUIUXWAJJ-AWEZNQCLSA-N 1 0 400.316 5.470 50 0 HKAARO COc1cc(Br)c(C[NH2+][C@H](C)c2cccc3ccccc32)cc1OC ZINC000022787757 568499664 /nfs/dbraw/zinc/49/96/64/568499664.db2.gz XXULJPUIUXWAJJ-CQSZACIVSA-N 1 0 400.316 5.470 50 0 HKAARO Cc1cccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4cccc5ccccc54)CC3)o2)c1 ZINC000022790325 557821897 /nfs/dbraw/zinc/82/18/97/557821897.db2.gz DLGRKDQVEKBPOW-HXUWFJFHSA-N 1 0 412.537 5.077 50 0 HKAARO Cc1cccc(-c2nnc([C@H](C)N3CC[NH+](Cc4cccc5ccccc54)CC3)o2)c1 ZINC000022790331 557821850 /nfs/dbraw/zinc/82/18/50/557821850.db2.gz DLGRKDQVEKBPOW-FQEVSTJZSA-N 1 0 412.537 5.077 50 0 HKAARO c1ccc(COc2cccc(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000022860940 569357659 /nfs/dbraw/zinc/35/76/59/569357659.db2.gz VGVHPQNRDXFRDX-SVBPBHIXSA-N 1 0 404.598 5.495 50 0 HKAARO c1sc(Nc2ccccc2)nc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022927834 558523402 /nfs/dbraw/zinc/52/34/02/558523402.db2.gz PBHLMQOJFSJOTL-UHFFFAOYSA-N 1 0 414.578 5.358 50 0 HKAARO O=C(Nc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl ZINC000022933775 558525571 /nfs/dbraw/zinc/52/55/71/558525571.db2.gz JUNMYIMKZXUOPB-JOCHJYFZSA-N 1 0 423.944 5.112 50 0 HKAARO O=C(Nc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl ZINC000022933778 558525507 /nfs/dbraw/zinc/52/55/07/558525507.db2.gz JUNMYIMKZXUOPB-QFIPXVFZSA-N 1 0 423.944 5.112 50 0 HKAARO Cc1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)sc1C ZINC000023128780 568824803 /nfs/dbraw/zinc/82/48/03/568824803.db2.gz CDLCWHGLAFLMKY-UHFFFAOYSA-N 1 0 418.566 5.285 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 ZINC000023133240 558537283 /nfs/dbraw/zinc/53/72/83/558537283.db2.gz GHOXPHHJSCVQSQ-SFHVURJKSA-N 1 0 402.610 5.135 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 ZINC000023133242 558537271 /nfs/dbraw/zinc/53/72/71/558537271.db2.gz GHOXPHHJSCVQSQ-GOSISDBHSA-N 1 0 402.610 5.135 50 0 HKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153863 559021799 /nfs/dbraw/zinc/02/17/99/559021799.db2.gz YIIDNFKMAHRJOI-UHFFFAOYSA-N 1 0 413.612 5.776 50 0 HKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000023174862 558540332 /nfs/dbraw/zinc/54/03/32/558540332.db2.gz RPGHYVAFHGJIKV-LJQANCHMSA-N 1 0 404.554 5.110 50 0 HKAARO c1coc([C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)N2CCCC2)c1 ZINC000023247698 559065493 /nfs/dbraw/zinc/06/54/93/559065493.db2.gz ZENBZQRQFDTVAQ-NRFANRHFSA-N 1 0 418.566 5.121 50 0 HKAARO c1coc([C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)N2CCCC2)c1 ZINC000023247699 559065482 /nfs/dbraw/zinc/06/54/82/559065482.db2.gz ZENBZQRQFDTVAQ-OAQYLSRUSA-N 1 0 418.566 5.121 50 0 HKAARO Clc1ccc(-c2nc(C[NH2+]C[C@H](c3cccs3)N3CCCC3)cs2)cc1 ZINC000023257858 558546612 /nfs/dbraw/zinc/54/66/12/558546612.db2.gz RCZIKTKMVRZOCE-GOSISDBHSA-N 1 0 404.004 5.452 50 0 HKAARO Clc1ccc(-c2nc(C[NH2+]C[C@@H](c3cccs3)N3CCCC3)cs2)cc1 ZINC000023257861 558546625 /nfs/dbraw/zinc/54/66/25/558546625.db2.gz RCZIKTKMVRZOCE-SFHVURJKSA-N 1 0 404.004 5.452 50 0 HKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12)CC1CC1 ZINC000023304410 558548655 /nfs/dbraw/zinc/54/86/55/558548655.db2.gz PSIQMKKEKSZNEM-UKILVPOCSA-N 1 0 415.581 5.575 50 0 HKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc12)CC1CC1 ZINC000023304412 558548587 /nfs/dbraw/zinc/54/85/87/558548587.db2.gz PSIQMKKEKSZNEM-ZCYQVOJMSA-N 1 0 415.581 5.575 50 0 HKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(F)cc(F)c3)cc12)CC1CC1 ZINC000023308992 521671401 /nfs/dbraw/zinc/67/14/01/521671401.db2.gz XKNRMFNTLYAETI-UHFFFAOYSA-N 1 0 411.496 5.363 50 0 HKAARO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023316412 559116973 /nfs/dbraw/zinc/11/69/73/559116973.db2.gz DSTNOKHXDYIDIX-UHFFFAOYSA-N 1 0 424.976 5.201 50 0 HKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000023321314 559126265 /nfs/dbraw/zinc/12/62/65/559126265.db2.gz VCPMIHDRMUJWJV-OAHLLOKOSA-N 1 0 402.991 5.948 50 0 HKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000023321316 559126255 /nfs/dbraw/zinc/12/62/55/559126255.db2.gz VCPMIHDRMUJWJV-HNNXBMFYSA-N 1 0 402.991 5.948 50 0 HKAARO CCCCC[N@H+](C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023334554 559172688 /nfs/dbraw/zinc/17/26/88/559172688.db2.gz ZNHOVKAGXJBOKM-UHFFFAOYSA-N 1 0 410.583 6.116 50 0 HKAARO CCCCCC[N@H+](C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023335965 559172429 /nfs/dbraw/zinc/17/24/29/559172429.db2.gz QUULUEGLODMEME-UHFFFAOYSA-N 1 0 424.610 6.506 50 0 HKAARO Cc1ccc(NC(=O)[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2)cc1Cl ZINC000023408608 558557206 /nfs/dbraw/zinc/55/72/06/558557206.db2.gz UYZOZODUTSXWQC-NRFANRHFSA-N 1 0 413.993 5.227 50 0 HKAARO Cc1ccc(NC(=O)[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2)cc1Cl ZINC000023408611 558557257 /nfs/dbraw/zinc/55/72/57/558557257.db2.gz UYZOZODUTSXWQC-OAQYLSRUSA-N 1 0 413.993 5.227 50 0 HKAARO S=c1sc(SC[C@@H]2C[NH2+][C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409327 558557263 /nfs/dbraw/zinc/55/72/63/558557263.db2.gz QGVYENGYDQFOBU-JKSUJKDBSA-N 1 0 422.000 5.096 50 0 HKAARO S=c1sc(SC[C@H]2C[NH2+][C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409332 558557209 /nfs/dbraw/zinc/55/72/09/558557209.db2.gz QGVYENGYDQFOBU-HZPDHXFCSA-N 1 0 422.000 5.096 50 0 HKAARO S=c1sc(SC[C@H]2C[NH2+][C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409335 558557234 /nfs/dbraw/zinc/55/72/34/558557234.db2.gz QGVYENGYDQFOBU-CVEARBPZSA-N 1 0 422.000 5.096 50 0 HKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446460 559175270 /nfs/dbraw/zinc/17/52/70/559175270.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 1 0 424.548 5.111 50 0 HKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446462 559175322 /nfs/dbraw/zinc/17/53/22/559175322.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 1 0 424.548 5.111 50 0 HKAARO Clc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466435 558558978 /nfs/dbraw/zinc/55/89/78/558558978.db2.gz VTKSIQKXTDCMEQ-MRXNPFEDSA-N 1 0 414.958 5.491 50 0 HKAARO Clc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466436 558558942 /nfs/dbraw/zinc/55/89/42/558558942.db2.gz VTKSIQKXTDCMEQ-INIZCTEOSA-N 1 0 414.958 5.491 50 0 HKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C2SCCCS2)cc1 ZINC000023739396 558572612 /nfs/dbraw/zinc/57/26/12/558572612.db2.gz DMKFZTUMLNAPKB-OAQYLSRUSA-N 1 0 412.624 5.122 50 0 HKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C2SCCCS2)cc1 ZINC000023739400 558572672 /nfs/dbraw/zinc/57/26/72/558572672.db2.gz DMKFZTUMLNAPKB-NRFANRHFSA-N 1 0 412.624 5.122 50 0 HKAARO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882528 558580124 /nfs/dbraw/zinc/58/01/24/558580124.db2.gz JUUMETXDVKVNKK-CQSZACIVSA-N 1 0 409.942 5.198 50 0 HKAARO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882532 558580003 /nfs/dbraw/zinc/58/00/03/558580003.db2.gz JUUMETXDVKVNKK-AWEZNQCLSA-N 1 0 409.942 5.198 50 0 HKAARO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(F)cc1 ZINC000023908058 558580958 /nfs/dbraw/zinc/58/09/58/558580958.db2.gz UZFJEHGXBGSTCG-OAQYLSRUSA-N 1 0 407.514 5.278 50 0 HKAARO CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(F)cc1 ZINC000023908061 558580815 /nfs/dbraw/zinc/58/08/15/558580815.db2.gz UZFJEHGXBGSTCG-NRFANRHFSA-N 1 0 407.514 5.278 50 0 HKAARO O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000023957063 559186443 /nfs/dbraw/zinc/18/64/43/559186443.db2.gz DIBYVCTXLCRNOC-MHZLTWQESA-N 1 0 423.560 5.478 50 0 HKAARO O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000023957066 559186459 /nfs/dbraw/zinc/18/64/59/559186459.db2.gz DIBYVCTXLCRNOC-HHHXNRCGSA-N 1 0 423.560 5.478 50 0 HKAARO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)o1 ZINC000023967804 526985370 /nfs/dbraw/zinc/98/53/70/526985370.db2.gz MRNCQJYHBFGSAK-CQSZACIVSA-N 1 0 410.930 5.379 50 0 HKAARO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)o1 ZINC000023967806 526985625 /nfs/dbraw/zinc/98/56/25/526985625.db2.gz MRNCQJYHBFGSAK-AWEZNQCLSA-N 1 0 410.930 5.379 50 0 HKAARO O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000023968027 526581717 /nfs/dbraw/zinc/58/17/17/526581717.db2.gz OETZGQLGDLCTNX-MHZLTWQESA-N 1 0 423.560 5.478 50 0 HKAARO O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000023968029 526580994 /nfs/dbraw/zinc/58/09/94/526580994.db2.gz OETZGQLGDLCTNX-HHHXNRCGSA-N 1 0 423.560 5.478 50 0 HKAARO COc1cccc([C@@H]2C[NH2+][C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982842 558583264 /nfs/dbraw/zinc/58/32/64/558583264.db2.gz DZUAOPYJKPTDSH-CVDCTZTESA-N 1 0 418.924 5.663 50 0 HKAARO COc1cccc([C@H]2C[NH2+][C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982845 558583283 /nfs/dbraw/zinc/58/32/83/558583283.db2.gz DZUAOPYJKPTDSH-XXBNENTESA-N 1 0 418.924 5.663 50 0 HKAARO COc1cccc([C@@H]2C[NH2+][C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982848 558583278 /nfs/dbraw/zinc/58/32/78/558583278.db2.gz DZUAOPYJKPTDSH-WMZHIEFXSA-N 1 0 418.924 5.663 50 0 HKAARO COc1cccc([C@H]2C[NH2+][C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982850 558583330 /nfs/dbraw/zinc/58/33/30/558583330.db2.gz DZUAOPYJKPTDSH-AUSIDOKSSA-N 1 0 418.924 5.663 50 0 HKAARO c1ccc(-c2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)s2)cc1 ZINC000024052541 558587212 /nfs/dbraw/zinc/58/72/12/558587212.db2.gz PXUPOASEQYZIQA-UHFFFAOYSA-N 1 0 412.562 5.117 50 0 HKAARO Oc1ccc([C@@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204151 558591898 /nfs/dbraw/zinc/59/18/98/558591898.db2.gz HEAUFHQJFJNIJJ-AVRDEDQJSA-N 1 0 409.316 6.005 50 0 HKAARO Oc1ccc([C@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204156 558591871 /nfs/dbraw/zinc/59/18/71/558591871.db2.gz HEAUFHQJFJNIJJ-PGRDOPGGSA-N 1 0 409.316 6.005 50 0 HKAARO Oc1ccc([C@@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204162 558591953 /nfs/dbraw/zinc/59/19/53/558591953.db2.gz HEAUFHQJFJNIJJ-GCJKJVERSA-N 1 0 409.316 6.005 50 0 HKAARO Oc1ccc([C@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204169 558591931 /nfs/dbraw/zinc/59/19/31/558591931.db2.gz HEAUFHQJFJNIJJ-XMSQKQJNSA-N 1 0 409.316 6.005 50 0 HKAARO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024258801 558593359 /nfs/dbraw/zinc/59/33/59/558593359.db2.gz PSSYEKJRBYZYSY-OAQYLSRUSA-N 1 0 423.969 5.792 50 0 HKAARO CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024258805 558593259 /nfs/dbraw/zinc/59/32/59/558593259.db2.gz PSSYEKJRBYZYSY-NRFANRHFSA-N 1 0 423.969 5.792 50 0 HKAARO COc1ccc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334915 558595099 /nfs/dbraw/zinc/59/50/99/558595099.db2.gz FUOOGJQRZOPVRP-UUOWRZLLSA-N 1 0 418.924 5.663 50 0 HKAARO COc1ccc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334921 558595076 /nfs/dbraw/zinc/59/50/76/558595076.db2.gz FUOOGJQRZOPVRP-MHECFPHRSA-N 1 0 418.924 5.663 50 0 HKAARO COc1ccc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334926 558595066 /nfs/dbraw/zinc/59/50/66/558595066.db2.gz FUOOGJQRZOPVRP-KOSHJBKYSA-N 1 0 418.924 5.663 50 0 HKAARO COc1ccc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334932 558595114 /nfs/dbraw/zinc/59/51/14/558595114.db2.gz FUOOGJQRZOPVRP-HOYKHHGWSA-N 1 0 418.924 5.663 50 0 HKAARO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602059 558602408 /nfs/dbraw/zinc/60/24/08/558602408.db2.gz MBDZDBMEZIAJCD-OAHLLOKOSA-N 1 0 410.930 5.379 50 0 HKAARO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602062 558602371 /nfs/dbraw/zinc/60/23/71/558602371.db2.gz MBDZDBMEZIAJCD-HNNXBMFYSA-N 1 0 410.930 5.379 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@@H](c3ccccc3)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024634692 558605809 /nfs/dbraw/zinc/60/58/09/558605809.db2.gz RSUODBVSUNOMHJ-HSZRJFAPSA-N 1 0 417.578 5.755 50 0 HKAARO Cc1sc2[nH]c(C[NH2+][C@H](c3ccccc3)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024634699 558605729 /nfs/dbraw/zinc/60/57/29/558605729.db2.gz RSUODBVSUNOMHJ-QHCPKHFHSA-N 1 0 417.578 5.755 50 0 HKAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000024747170 568460945 /nfs/dbraw/zinc/46/09/45/568460945.db2.gz AZUBLMTXXPQOKG-CYBMUJFWSA-N 1 0 417.340 5.085 50 0 HKAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000024747179 568460911 /nfs/dbraw/zinc/46/09/11/568460911.db2.gz AZUBLMTXXPQOKG-ZDUSSCGKSA-N 1 0 417.340 5.085 50 0 HKAARO CC(C)c1cccc(C(C)C)c1NC(=O)CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000024753902 519841103 /nfs/dbraw/zinc/84/11/03/519841103.db2.gz VHHURTUBDHHADW-UHFFFAOYSA-N 1 0 413.631 5.141 50 0 HKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000024972063 568516400 /nfs/dbraw/zinc/51/64/00/568516400.db2.gz WOAUNZBXPMTXIE-UHFFFAOYSA-N 1 0 403.448 5.045 50 0 HKAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(Cl)c1Cl ZINC000024979939 558624146 /nfs/dbraw/zinc/62/41/46/558624146.db2.gz LKJUWGXNHHPMTC-UHFFFAOYSA-N 1 0 421.324 5.105 50 0 HKAARO CN(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 ZINC000024981541 558624356 /nfs/dbraw/zinc/62/43/56/558624356.db2.gz FUWTXGAZVFQWAD-IBGZPJMESA-N 1 0 408.596 5.055 50 0 HKAARO CN(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 ZINC000024981551 558624373 /nfs/dbraw/zinc/62/43/73/558624373.db2.gz FUWTXGAZVFQWAD-LJQANCHMSA-N 1 0 408.596 5.055 50 0 HKAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000025057706 558629215 /nfs/dbraw/zinc/62/92/15/558629215.db2.gz GENUMHBKIZYDJY-CQSZACIVSA-N 1 0 409.942 5.464 50 0 HKAARO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000025057712 558629299 /nfs/dbraw/zinc/62/92/99/558629299.db2.gz GENUMHBKIZYDJY-AWEZNQCLSA-N 1 0 409.942 5.464 50 0 HKAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)c(C)c2)CC1 ZINC000025185289 558634232 /nfs/dbraw/zinc/63/42/32/558634232.db2.gz BZOIFJPPKDHEKB-UHFFFAOYSA-N 1 0 419.594 5.021 50 0 HKAARO COc1cc(C[NH2+]CCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000025259888 558636209 /nfs/dbraw/zinc/63/62/09/558636209.db2.gz VZYMBWRXLHQFEK-UHFFFAOYSA-N 1 0 417.336 5.308 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 ZINC000025329387 558638461 /nfs/dbraw/zinc/63/84/61/558638461.db2.gz WLYFGOQMYYWVTG-INIZCTEOSA-N 1 0 408.445 5.060 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 ZINC000025329388 558638445 /nfs/dbraw/zinc/63/84/45/558638445.db2.gz WLYFGOQMYYWVTG-MRXNPFEDSA-N 1 0 408.445 5.060 50 0 HKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 ZINC000025329527 558638464 /nfs/dbraw/zinc/63/84/64/558638464.db2.gz HVZWNBKIBFDLPP-UHFFFAOYSA-N 1 0 403.529 5.639 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000025329896 558638372 /nfs/dbraw/zinc/63/83/72/558638372.db2.gz MLIUMWOCGCPWNS-FQEVSTJZSA-N 1 0 418.484 5.467 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000025329897 558638433 /nfs/dbraw/zinc/63/84/33/558638433.db2.gz MLIUMWOCGCPWNS-HXUWFJFHSA-N 1 0 418.484 5.467 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000025358930 522474663 /nfs/dbraw/zinc/47/46/63/522474663.db2.gz OYVMJNBMLNSFLY-INIZCTEOSA-N 1 0 416.443 5.539 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000025358934 522487457 /nfs/dbraw/zinc/48/74/57/522487457.db2.gz OYVMJNBMLNSFLY-MRXNPFEDSA-N 1 0 416.443 5.539 50 0 HKAARO COc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl ZINC000025358952 522473624 /nfs/dbraw/zinc/47/36/24/522473624.db2.gz RIDSONYIDRMEOK-KRWDZBQOSA-N 1 0 412.917 5.052 50 0 HKAARO COc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl ZINC000025358956 522486560 /nfs/dbraw/zinc/48/65/60/522486560.db2.gz RIDSONYIDRMEOK-QGZVFWFLSA-N 1 0 412.917 5.052 50 0 HKAARO CC(C)(C)c1ccc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461385 558641706 /nfs/dbraw/zinc/64/17/06/558641706.db2.gz UGXNYROYRGWPQA-OFVILXPXSA-N 1 0 414.980 6.943 50 0 HKAARO CC(C)(C)c1ccc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461391 558641691 /nfs/dbraw/zinc/64/16/91/558641691.db2.gz UGXNYROYRGWPQA-SQJMNOBHSA-N 1 0 414.980 6.943 50 0 HKAARO CC(C)(C)c1ccc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461395 558641717 /nfs/dbraw/zinc/64/17/17/558641717.db2.gz UGXNYROYRGWPQA-BWKNWUBXSA-N 1 0 414.980 6.943 50 0 HKAARO CC(C)(C)c1ccc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461401 558641749 /nfs/dbraw/zinc/64/17/49/558641749.db2.gz UGXNYROYRGWPQA-PXDATVDWSA-N 1 0 414.980 6.943 50 0 HKAARO Fc1ccc(-c2ccc(OCCCN3CC[NH+](Cc4ccccc4)CC3)cc2)c(F)c1 ZINC000025560900 558643841 /nfs/dbraw/zinc/64/38/41/558643841.db2.gz IKXMXINSIHVUOC-UHFFFAOYSA-N 1 0 422.519 5.219 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000025712375 568910745 /nfs/dbraw/zinc/91/07/45/568910745.db2.gz MDOKFBOHQKGIFR-QHCPKHFHSA-N 1 0 411.505 5.041 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000025712381 568910790 /nfs/dbraw/zinc/91/07/90/568910790.db2.gz MDOKFBOHQKGIFR-HSZRJFAPSA-N 1 0 411.505 5.041 50 0 HKAARO COc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 ZINC000025753749 568913718 /nfs/dbraw/zinc/91/37/18/568913718.db2.gz LEFDQKWSRNORFJ-LJQANCHMSA-N 1 0 405.542 5.459 50 0 HKAARO COc1ccc(-c2nnc([C@H](C)[NH+]3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 ZINC000025753752 568913735 /nfs/dbraw/zinc/91/37/35/568913735.db2.gz LEFDQKWSRNORFJ-IBGZPJMESA-N 1 0 405.542 5.459 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000025813517 558650733 /nfs/dbraw/zinc/65/07/33/558650733.db2.gz MYKSAWXRIGISTK-NRFANRHFSA-N 1 0 417.534 5.103 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000025813522 558650810 /nfs/dbraw/zinc/65/08/10/558650810.db2.gz MYKSAWXRIGISTK-OAQYLSRUSA-N 1 0 417.534 5.103 50 0 HKAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000025946899 558652569 /nfs/dbraw/zinc/65/25/69/558652569.db2.gz YGQFXLCWAZLILP-UHFFFAOYSA-N 1 0 412.533 5.277 50 0 HKAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000026121245 569017465 /nfs/dbraw/zinc/01/74/65/569017465.db2.gz OUBNIGNTMRVWPP-UHFFFAOYSA-N 1 0 410.949 5.194 50 0 HKAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000026121252 569017486 /nfs/dbraw/zinc/01/74/86/569017486.db2.gz ICZUDPILOMGXAL-UHFFFAOYSA-N 1 0 410.949 5.194 50 0 HKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000026121512 569017493 /nfs/dbraw/zinc/01/74/93/569017493.db2.gz GJDHPKHAEMAWDV-UHFFFAOYSA-N 1 0 404.558 5.239 50 0 HKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000026121544 558655717 /nfs/dbraw/zinc/65/57/17/558655717.db2.gz YLOKSMKUKUZVJK-UHFFFAOYSA-N 1 0 408.521 5.070 50 0 HKAARO O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026402966 558660409 /nfs/dbraw/zinc/66/04/09/558660409.db2.gz RXSHJCJMQRTACD-UHFFFAOYSA-N 1 0 423.560 5.290 50 0 HKAARO O=C(CCc1cccs1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026403543 558660391 /nfs/dbraw/zinc/66/03/91/558660391.db2.gz BNMYHPUVODZNPL-UHFFFAOYSA-N 1 0 404.579 5.260 50 0 HKAARO CCOc1ccc(-[n+]2cc(-c3ccc(-c4ccccc4)cc3)n3c2CCCCC3)cc1 ZINC000026441609 558660937 /nfs/dbraw/zinc/66/09/37/558660937.db2.gz YPIQKMPSSUNUKM-UHFFFAOYSA-N 1 0 409.553 6.224 50 0 HKAARO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1OC ZINC000026771596 569357663 /nfs/dbraw/zinc/35/76/63/569357663.db2.gz KLLUXTMIHCIHJO-MPLKVVTOSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1OC ZINC000026771598 569357670 /nfs/dbraw/zinc/35/76/70/569357670.db2.gz KLLUXTMIHCIHJO-AJUBDXFTSA-N 1 0 407.554 5.085 50 0 biogenic HKAARO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 ZINC000027193878 558670676 /nfs/dbraw/zinc/67/06/76/558670676.db2.gz FSLPUZLMGFJUNB-XMMPIXPASA-N 1 0 413.561 5.855 50 0 HKAARO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 ZINC000027193885 558670712 /nfs/dbraw/zinc/67/07/12/558670712.db2.gz FSLPUZLMGFJUNB-DEOSSOPVSA-N 1 0 413.561 5.855 50 0 HKAARO CC(C)N(C)C(=O)c1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000027219187 569289058 /nfs/dbraw/zinc/28/90/58/569289058.db2.gz JQDPFFBEXHBUCB-UHFFFAOYSA-N 1 0 419.550 5.327 50 0 HKAARO Fc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br ZINC000027222909 558671056 /nfs/dbraw/zinc/67/10/56/558671056.db2.gz XOEMMOCUENHZTG-HXUWFJFHSA-N 1 0 414.322 5.000 50 0 HKAARO Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br ZINC000027222912 558671015 /nfs/dbraw/zinc/67/10/15/558671015.db2.gz XOEMMOCUENHZTG-FQEVSTJZSA-N 1 0 414.322 5.000 50 0 HKAARO O=C(Nc1ccccc1O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027373955 558672686 /nfs/dbraw/zinc/67/26/86/558672686.db2.gz RYQMTNHKGKRQDW-UHFFFAOYSA-N 1 0 400.931 5.111 50 0 HKAARO CC(C)[NH+](CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C)C ZINC000027458423 558673223 /nfs/dbraw/zinc/67/32/23/558673223.db2.gz ZMCBTAUVEFZVIR-UHFFFAOYSA-N 1 0 419.569 5.176 50 0 HKAARO O=C(OCC[NH+]1CCCCC1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000027489412 569325240 /nfs/dbraw/zinc/32/52/40/569325240.db2.gz PBBHNJMXINMWFV-UHFFFAOYSA-N 1 0 408.325 5.215 50 0 HKAARO O[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000027489723 558673510 /nfs/dbraw/zinc/67/35/10/558673510.db2.gz KGXHHWMYGHWQMS-QHCPKHFHSA-N 1 0 406.529 5.535 50 0 HKAARO O[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000027489726 558673462 /nfs/dbraw/zinc/67/34/62/558673462.db2.gz KGXHHWMYGHWQMS-HSZRJFAPSA-N 1 0 406.529 5.535 50 0 HKAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000027543291 558674628 /nfs/dbraw/zinc/67/46/28/558674628.db2.gz OEUJIARPJQZLPW-UHFFFAOYSA-N 1 0 419.960 5.019 50 0 HKAARO Cc1cc2oc(=O)cc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)c2cc1C ZINC000027574324 558675355 /nfs/dbraw/zinc/67/53/55/558675355.db2.gz RQCMTJODNPKZLP-UHFFFAOYSA-N 1 0 405.494 5.083 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027581909 558676004 /nfs/dbraw/zinc/67/60/04/558676004.db2.gz GSWJYYXOSOTTKA-JOCHJYFZSA-N 1 0 408.517 5.536 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027581916 558675997 /nfs/dbraw/zinc/67/59/97/558675997.db2.gz GSWJYYXOSOTTKA-QFIPXVFZSA-N 1 0 408.517 5.536 50 0 HKAARO CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582670 558675894 /nfs/dbraw/zinc/67/58/94/558675894.db2.gz CKEKFXHLKZCQDQ-OAQYLSRUSA-N 1 0 400.950 5.086 50 0 HKAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582674 558676016 /nfs/dbraw/zinc/67/60/16/558676016.db2.gz CKEKFXHLKZCQDQ-NRFANRHFSA-N 1 0 400.950 5.086 50 0 HKAARO Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1C ZINC000027582680 558676025 /nfs/dbraw/zinc/67/60/25/558676025.db2.gz CMXQUQURVFMSER-HSZRJFAPSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1C ZINC000027582685 558675922 /nfs/dbraw/zinc/67/59/22/558675922.db2.gz CMXQUQURVFMSER-QHCPKHFHSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027582691 558676039 /nfs/dbraw/zinc/67/60/39/558676039.db2.gz GKDNNFJDRWKFBF-HSZRJFAPSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027582697 558675884 /nfs/dbraw/zinc/67/58/84/558675884.db2.gz GKDNNFJDRWKFBF-QHCPKHFHSA-N 1 0 414.977 5.069 50 0 HKAARO CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027582771 558675870 /nfs/dbraw/zinc/67/58/70/558675870.db2.gz LUSMMPDXLQZRPR-JOCHJYFZSA-N 1 0 400.950 5.086 50 0 HKAARO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027582775 558675951 /nfs/dbraw/zinc/67/59/51/558675951.db2.gz LUSMMPDXLQZRPR-QFIPXVFZSA-N 1 0 400.950 5.086 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027583182 558676230 /nfs/dbraw/zinc/67/62/30/558676230.db2.gz FCVKDYUKYLSJPM-JOCHJYFZSA-N 1 0 424.516 5.236 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027583187 558676116 /nfs/dbraw/zinc/67/61/16/558676116.db2.gz FCVKDYUKYLSJPM-QFIPXVFZSA-N 1 0 424.516 5.236 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583778 558676207 /nfs/dbraw/zinc/67/62/07/558676207.db2.gz KUJZSLAOKDKZMW-JOCHJYFZSA-N 1 0 400.950 5.086 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583782 558676138 /nfs/dbraw/zinc/67/61/38/558676138.db2.gz KUJZSLAOKDKZMW-QFIPXVFZSA-N 1 0 400.950 5.086 50 0 HKAARO CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027584020 558676130 /nfs/dbraw/zinc/67/61/30/558676130.db2.gz SRUMEJUGIYORLC-JOCHJYFZSA-N 1 0 400.950 5.086 50 0 HKAARO CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027584027 558676280 /nfs/dbraw/zinc/67/62/80/558676280.db2.gz SRUMEJUGIYORLC-QFIPXVFZSA-N 1 0 400.950 5.086 50 0 HKAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1Cl ZINC000027584043 558676091 /nfs/dbraw/zinc/67/60/91/558676091.db2.gz MKSBZNBGOHQRDA-OAQYLSRUSA-N 1 0 400.950 5.004 50 0 HKAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1Cl ZINC000027584049 558676346 /nfs/dbraw/zinc/67/63/46/558676346.db2.gz MKSBZNBGOHQRDA-NRFANRHFSA-N 1 0 400.950 5.004 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584081 558676450 /nfs/dbraw/zinc/67/64/50/558676450.db2.gz SOCGWJRSOLKLDT-HSZRJFAPSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584086 558676487 /nfs/dbraw/zinc/67/64/87/558676487.db2.gz SOCGWJRSOLKLDT-QHCPKHFHSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)sc2c1 ZINC000027584165 558676413 /nfs/dbraw/zinc/67/64/13/558676413.db2.gz ZPQUHRVAQXOOJW-OAHLLOKOSA-N 1 0 404.988 5.492 50 0 HKAARO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)sc2c1 ZINC000027584171 558676375 /nfs/dbraw/zinc/67/63/75/558676375.db2.gz ZPQUHRVAQXOOJW-HNNXBMFYSA-N 1 0 404.988 5.492 50 0 HKAARO CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027584244 558676404 /nfs/dbraw/zinc/67/64/04/558676404.db2.gz NDMZPSYSJZMXGZ-OAQYLSRUSA-N 1 0 400.588 5.130 50 0 HKAARO CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027584247 558676479 /nfs/dbraw/zinc/67/64/79/558676479.db2.gz NDMZPSYSJZMXGZ-NRFANRHFSA-N 1 0 400.588 5.130 50 0 HKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000027605247 558677277 /nfs/dbraw/zinc/67/72/77/558677277.db2.gz VIDJEEHJINYRAQ-QGZVFWFLSA-N 1 0 400.931 5.228 50 0 HKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000027605251 558677344 /nfs/dbraw/zinc/67/73/44/558677344.db2.gz VIDJEEHJINYRAQ-KRWDZBQOSA-N 1 0 400.931 5.228 50 0 HKAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027661952 558677955 /nfs/dbraw/zinc/67/79/55/558677955.db2.gz GGRUXDTWIGOMFS-JOCHJYFZSA-N 1 0 414.977 5.104 50 0 HKAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027661954 558677991 /nfs/dbraw/zinc/67/79/91/558677991.db2.gz GGRUXDTWIGOMFS-QFIPXVFZSA-N 1 0 414.977 5.104 50 0 HKAARO CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662470 558678228 /nfs/dbraw/zinc/67/82/28/558678228.db2.gz KQORUJZUJFUQAD-HXUWFJFHSA-N 1 0 400.588 5.274 50 0 HKAARO CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662472 558678263 /nfs/dbraw/zinc/67/82/63/558678263.db2.gz KQORUJZUJFUQAD-FQEVSTJZSA-N 1 0 400.588 5.274 50 0 HKAARO CCCCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662489 558678236 /nfs/dbraw/zinc/67/82/36/558678236.db2.gz ISLPUNOKVPIOTD-OAQYLSRUSA-N 1 0 400.588 5.274 50 0 HKAARO CCCCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662491 558678128 /nfs/dbraw/zinc/67/81/28/558678128.db2.gz ISLPUNOKVPIOTD-NRFANRHFSA-N 1 0 400.588 5.274 50 0 HKAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662497 558678179 /nfs/dbraw/zinc/67/81/79/558678179.db2.gz DYSXXQDPOZONJJ-OAQYLSRUSA-N 1 0 414.615 5.292 50 0 HKAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662499 558678122 /nfs/dbraw/zinc/67/81/22/558678122.db2.gz DYSXXQDPOZONJJ-NRFANRHFSA-N 1 0 414.615 5.292 50 0 HKAARO Cc1cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc(C)c1Cl ZINC000027662519 558678360 /nfs/dbraw/zinc/67/83/60/558678360.db2.gz HHYOPSDDNXRNIR-LJQANCHMSA-N 1 0 421.006 5.131 50 0 HKAARO Cc1cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc(C)c1Cl ZINC000027662521 558678401 /nfs/dbraw/zinc/67/84/01/558678401.db2.gz HHYOPSDDNXRNIR-IBGZPJMESA-N 1 0 421.006 5.131 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662542 558678384 /nfs/dbraw/zinc/67/83/84/558678384.db2.gz JUVRNWGJFHNPOV-OAQYLSRUSA-N 1 0 400.588 5.274 50 0 HKAARO CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662544 558678452 /nfs/dbraw/zinc/67/84/52/558678452.db2.gz JUVRNWGJFHNPOV-NRFANRHFSA-N 1 0 400.588 5.274 50 0 HKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027662759 558678371 /nfs/dbraw/zinc/67/83/71/558678371.db2.gz SKBHIUQZYBUXFV-HSZRJFAPSA-N 1 0 418.606 5.614 50 0 HKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027662761 558678444 /nfs/dbraw/zinc/67/84/44/558678444.db2.gz SKBHIUQZYBUXFV-QHCPKHFHSA-N 1 0 418.606 5.614 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027663599 558678948 /nfs/dbraw/zinc/67/89/48/558678948.db2.gz GALJJOHHMGHLAP-JOCHJYFZSA-N 1 0 424.972 6.050 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027663600 558678982 /nfs/dbraw/zinc/67/89/82/558678982.db2.gz GALJJOHHMGHLAP-QFIPXVFZSA-N 1 0 424.972 6.050 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027663611 558678946 /nfs/dbraw/zinc/67/89/46/558678946.db2.gz VJOWENYIUQENIL-OAQYLSRUSA-N 1 0 410.945 5.660 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027663613 558679002 /nfs/dbraw/zinc/67/90/02/558679002.db2.gz VJOWENYIUQENIL-NRFANRHFSA-N 1 0 410.945 5.660 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027663615 558678988 /nfs/dbraw/zinc/67/89/88/558678988.db2.gz PXPUWRAFAHWZMA-GOSISDBHSA-N 1 0 416.974 5.803 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027663617 558678956 /nfs/dbraw/zinc/67/89/56/558678956.db2.gz PXPUWRAFAHWZMA-SFHVURJKSA-N 1 0 416.974 5.803 50 0 HKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027663926 558679271 /nfs/dbraw/zinc/67/92/71/558679271.db2.gz QXHDVEZYDMUOHQ-JOCHJYFZSA-N 1 0 404.579 5.223 50 0 HKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027663927 558679193 /nfs/dbraw/zinc/67/91/93/558679193.db2.gz QXHDVEZYDMUOHQ-QFIPXVFZSA-N 1 0 404.579 5.223 50 0 HKAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664524 558679670 /nfs/dbraw/zinc/67/96/70/558679670.db2.gz IGNVMYKXEJOSQN-JOCHJYFZSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664525 558679636 /nfs/dbraw/zinc/67/96/36/558679636.db2.gz IGNVMYKXEJOSQN-QFIPXVFZSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1C ZINC000027664542 558679691 /nfs/dbraw/zinc/67/96/91/558679691.db2.gz DOOPKWSASHHIHM-JOCHJYFZSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1C ZINC000027664543 558679662 /nfs/dbraw/zinc/67/96/62/558679662.db2.gz DOOPKWSASHHIHM-QFIPXVFZSA-N 1 0 414.977 5.069 50 0 HKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664669 558679822 /nfs/dbraw/zinc/67/98/22/558679822.db2.gz ICLWYTJGSATPSS-OAQYLSRUSA-N 1 0 410.945 5.742 50 0 HKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664670 558679872 /nfs/dbraw/zinc/67/98/72/558679872.db2.gz ICLWYTJGSATPSS-NRFANRHFSA-N 1 0 410.945 5.742 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664683 558679888 /nfs/dbraw/zinc/67/98/88/558679888.db2.gz HKNBFAGTYLEOJF-QGZVFWFLSA-N 1 0 402.947 5.413 50 0 HKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664684 558679829 /nfs/dbraw/zinc/67/98/29/558679829.db2.gz HKNBFAGTYLEOJF-KRWDZBQOSA-N 1 0 402.947 5.413 50 0 HKAARO FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000027788623 558682366 /nfs/dbraw/zinc/68/23/66/558682366.db2.gz LKAANERZQCOLQA-UHFFFAOYSA-N 1 0 405.921 6.126 50 0 HKAARO COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCCCC3)cc1 ZINC000027788626 558682313 /nfs/dbraw/zinc/68/23/13/558682313.db2.gz NRSFSUNSDFNIKU-UHFFFAOYSA-N 1 0 401.502 5.482 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCCC2)cc1 ZINC000027795378 558683205 /nfs/dbraw/zinc/68/32/05/558683205.db2.gz WKPDUPIFYODMQF-OAQYLSRUSA-N 1 0 415.375 5.105 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCCC2)cc1 ZINC000027795381 558683221 /nfs/dbraw/zinc/68/32/21/558683221.db2.gz WKPDUPIFYODMQF-NRFANRHFSA-N 1 0 415.375 5.105 50 0 HKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(C(C)(C)C)c2ccccc2[s+]1 ZINC000027988440 568775527 /nfs/dbraw/zinc/77/55/27/568775527.db2.gz MPFBFFRRYICXGT-UCXDMDGBSA-N 1 0 400.611 7.368 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027991502 558688246 /nfs/dbraw/zinc/68/82/46/558688246.db2.gz YGTMODWQRRVQIX-JOCHJYFZSA-N 1 0 424.972 5.968 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027991508 558688316 /nfs/dbraw/zinc/68/83/16/558688316.db2.gz YGTMODWQRRVQIX-QFIPXVFZSA-N 1 0 424.972 5.968 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027991534 558688231 /nfs/dbraw/zinc/68/82/31/558688231.db2.gz ZEOMDWSAHNAJHL-GOSISDBHSA-N 1 0 416.974 5.722 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027991540 558688279 /nfs/dbraw/zinc/68/82/79/558688279.db2.gz ZEOMDWSAHNAJHL-SFHVURJKSA-N 1 0 416.974 5.722 50 0 HKAARO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027993391 558688808 /nfs/dbraw/zinc/68/88/08/558688808.db2.gz UNCUOTMQCPZZKO-LJQANCHMSA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027993397 558688732 /nfs/dbraw/zinc/68/87/32/558688732.db2.gz UNCUOTMQCPZZKO-IBGZPJMESA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027994043 558688922 /nfs/dbraw/zinc/68/89/22/558688922.db2.gz ZIXAXSPDRNRZQH-JOCHJYFZSA-N 1 0 404.554 5.623 50 0 HKAARO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027994046 558688937 /nfs/dbraw/zinc/68/89/37/558688937.db2.gz ZIXAXSPDRNRZQH-QFIPXVFZSA-N 1 0 404.554 5.623 50 0 HKAARO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027994048 558688993 /nfs/dbraw/zinc/68/89/93/558688993.db2.gz OQNJURCBAIBLKY-HSZRJFAPSA-N 1 0 418.581 6.014 50 0 HKAARO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027994051 558689010 /nfs/dbraw/zinc/68/90/10/558689010.db2.gz OQNJURCBAIBLKY-QHCPKHFHSA-N 1 0 418.581 6.014 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028286720 558694192 /nfs/dbraw/zinc/69/41/92/558694192.db2.gz NXGWCCAYMXCFLG-GOSISDBHSA-N 1 0 400.519 5.289 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028286722 558694239 /nfs/dbraw/zinc/69/42/39/558694239.db2.gz NXGWCCAYMXCFLG-SFHVURJKSA-N 1 0 400.519 5.289 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028287047 558694393 /nfs/dbraw/zinc/69/43/93/558694393.db2.gz RDNJUWCJUFRNLV-HXUWFJFHSA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028287050 558694422 /nfs/dbraw/zinc/69/44/22/558694422.db2.gz RDNJUWCJUFRNLV-FQEVSTJZSA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000028287353 558694704 /nfs/dbraw/zinc/69/47/04/558694704.db2.gz KWFFYUGFQMTJHB-XMMPIXPASA-N 1 0 418.581 6.014 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000028287356 558694790 /nfs/dbraw/zinc/69/47/90/558694790.db2.gz KWFFYUGFQMTJHB-DEOSSOPVSA-N 1 0 418.581 6.014 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000028287359 558694673 /nfs/dbraw/zinc/69/46/73/558694673.db2.gz PMAOXIVHMLWQON-HSZRJFAPSA-N 1 0 404.554 5.623 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000028287362 558694668 /nfs/dbraw/zinc/69/46/68/558694668.db2.gz PMAOXIVHMLWQON-QHCPKHFHSA-N 1 0 404.554 5.623 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000028287588 558694984 /nfs/dbraw/zinc/69/49/84/558694984.db2.gz XIRJHQQMUKCETD-HSZRJFAPSA-N 1 0 404.554 5.705 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000028287590 558694860 /nfs/dbraw/zinc/69/48/60/558694860.db2.gz XIRJHQQMUKCETD-QHCPKHFHSA-N 1 0 404.554 5.705 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028288053 558695186 /nfs/dbraw/zinc/69/51/86/558695186.db2.gz LDFZVPXLPKGFOP-QGZVFWFLSA-N 1 0 402.947 5.331 50 0 HKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028288056 558695123 /nfs/dbraw/zinc/69/51/23/558695123.db2.gz LDFZVPXLPKGFOP-KRWDZBQOSA-N 1 0 402.947 5.331 50 0 HKAARO CC(C)COc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288668 558695539 /nfs/dbraw/zinc/69/55/39/558695539.db2.gz NVZRLHHXYUJGPJ-RUZDIDTESA-N 1 0 422.613 5.586 50 0 HKAARO CC(C)COc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288669 558695524 /nfs/dbraw/zinc/69/55/24/558695524.db2.gz NVZRLHHXYUJGPJ-VWLOTQADSA-N 1 0 422.613 5.586 50 0 HKAARO CCCOc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)c1 ZINC000028288671 558695606 /nfs/dbraw/zinc/69/56/06/558695606.db2.gz ZDESBJUNWQOBIY-XMMPIXPASA-N 1 0 408.586 5.340 50 0 HKAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)c1 ZINC000028288673 558695610 /nfs/dbraw/zinc/69/56/10/558695610.db2.gz ZDESBJUNWQOBIY-DEOSSOPVSA-N 1 0 408.586 5.340 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288675 558695491 /nfs/dbraw/zinc/69/54/91/558695491.db2.gz ZOJGJASRLKFFDO-XMMPIXPASA-N 1 0 408.586 5.338 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288677 558695509 /nfs/dbraw/zinc/69/55/09/558695509.db2.gz ZOJGJASRLKFFDO-DEOSSOPVSA-N 1 0 408.586 5.338 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288679 558695600 /nfs/dbraw/zinc/69/56/00/558695600.db2.gz JCECYPCEJQZRCP-HSZRJFAPSA-N 1 0 408.586 5.340 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288681 558695596 /nfs/dbraw/zinc/69/55/96/558695596.db2.gz JCECYPCEJQZRCP-QHCPKHFHSA-N 1 0 408.586 5.340 50 0 HKAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288683 558695503 /nfs/dbraw/zinc/69/55/03/558695503.db2.gz BTNZVKYSRIXTKL-XMMPIXPASA-N 1 0 406.614 5.849 50 0 HKAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000028288686 558695574 /nfs/dbraw/zinc/69/55/74/558695574.db2.gz BTNZVKYSRIXTKL-DEOSSOPVSA-N 1 0 406.614 5.849 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289184 558696075 /nfs/dbraw/zinc/69/60/75/558696075.db2.gz GTJVAOZGFSSYCR-JOCHJYFZSA-N 1 0 422.544 5.745 50 0 HKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289186 558696100 /nfs/dbraw/zinc/69/61/00/558696100.db2.gz GTJVAOZGFSSYCR-QFIPXVFZSA-N 1 0 422.544 5.745 50 0 HKAARO Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028289685 558696285 /nfs/dbraw/zinc/69/62/85/558696285.db2.gz IGSYPSXCUACSBY-NRFANRHFSA-N 1 0 406.570 5.688 50 0 HKAARO Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028289687 558696164 /nfs/dbraw/zinc/69/61/64/558696164.db2.gz IGSYPSXCUACSBY-OAQYLSRUSA-N 1 0 406.570 5.688 50 0 HKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289693 558696259 /nfs/dbraw/zinc/69/62/59/558696259.db2.gz GQSDVOQPQSOPFL-JOCHJYFZSA-N 1 0 404.554 5.606 50 0 HKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289696 558696266 /nfs/dbraw/zinc/69/62/66/558696266.db2.gz GQSDVOQPQSOPFL-QFIPXVFZSA-N 1 0 404.554 5.606 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289704 558696174 /nfs/dbraw/zinc/69/61/74/558696174.db2.gz SBZIUGMNDVAUPG-QFIPXVFZSA-N 1 0 406.570 5.688 50 0 HKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289707 558696191 /nfs/dbraw/zinc/69/61/91/558696191.db2.gz SBZIUGMNDVAUPG-JOCHJYFZSA-N 1 0 406.570 5.688 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000028290148 558696701 /nfs/dbraw/zinc/69/67/01/558696701.db2.gz VOZWALMLEIONQF-JOCHJYFZSA-N 1 0 424.972 6.050 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000028290151 558696734 /nfs/dbraw/zinc/69/67/34/558696734.db2.gz VOZWALMLEIONQF-QFIPXVFZSA-N 1 0 424.972 6.050 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028290333 558696675 /nfs/dbraw/zinc/69/66/75/558696675.db2.gz LFFGQHJSWSNQPE-HSZRJFAPSA-N 1 0 418.581 5.914 50 0 HKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028290336 558696695 /nfs/dbraw/zinc/69/66/95/558696695.db2.gz LFFGQHJSWSNQPE-QHCPKHFHSA-N 1 0 418.581 5.914 50 0 HKAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](CC)CC)cc1 ZINC000028290562 558696910 /nfs/dbraw/zinc/69/69/10/558696910.db2.gz BUFXSSHAJDAMGC-DEOSSOPVSA-N 1 0 410.602 5.125 50 0 HKAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](CC)CC)cc1 ZINC000028290565 558697005 /nfs/dbraw/zinc/69/70/05/558697005.db2.gz BUFXSSHAJDAMGC-XMMPIXPASA-N 1 0 410.602 5.125 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028290574 558696873 /nfs/dbraw/zinc/69/68/73/558696873.db2.gz JBQIQWFRCWDCQH-NRFANRHFSA-N 1 0 416.993 5.216 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028290576 558696906 /nfs/dbraw/zinc/69/69/06/558696906.db2.gz JBQIQWFRCWDCQH-OAQYLSRUSA-N 1 0 416.993 5.216 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290590 558696976 /nfs/dbraw/zinc/69/69/76/558696976.db2.gz UCDKATAIKNUSKO-KAAOTHNJSA-N 1 0 408.586 5.205 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290593 558697010 /nfs/dbraw/zinc/69/70/10/558697010.db2.gz UCDKATAIKNUSKO-CNAUTRJHSA-N 1 0 408.586 5.205 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290602 558696986 /nfs/dbraw/zinc/69/69/86/558696986.db2.gz XHIWTVWRNROGJK-QFIPXVFZSA-N 1 0 416.993 5.216 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290605 558696970 /nfs/dbraw/zinc/69/69/70/558696970.db2.gz XHIWTVWRNROGJK-JOCHJYFZSA-N 1 0 416.993 5.216 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290625 558696980 /nfs/dbraw/zinc/69/69/80/558696980.db2.gz KBNWGGFMSJKKOX-FADXNGITSA-N 1 0 413.005 5.850 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290628 558696947 /nfs/dbraw/zinc/69/69/47/558696947.db2.gz KBNWGGFMSJKKOX-QPLBDWIMSA-N 1 0 413.005 5.850 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290630 558696893 /nfs/dbraw/zinc/69/68/93/558696893.db2.gz QMUSUQXJBKHAOH-DEOSSOPVSA-N 1 0 410.602 5.179 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290633 558696932 /nfs/dbraw/zinc/69/69/32/558696932.db2.gz QMUSUQXJBKHAOH-XMMPIXPASA-N 1 0 410.602 5.179 50 0 HKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028291254 558697398 /nfs/dbraw/zinc/69/73/98/558697398.db2.gz UPRDQEMOAUEHOF-HSZRJFAPSA-N 1 0 418.581 5.914 50 0 HKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028291257 558697321 /nfs/dbraw/zinc/69/73/21/558697321.db2.gz UPRDQEMOAUEHOF-QHCPKHFHSA-N 1 0 418.581 5.914 50 0 HKAARO Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c1C ZINC000028291822 558697911 /nfs/dbraw/zinc/69/79/11/558697911.db2.gz RTXNQNCQLBEKLO-XMMPIXPASA-N 1 0 408.586 5.149 50 0 HKAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c1C ZINC000028291825 558697908 /nfs/dbraw/zinc/69/79/08/558697908.db2.gz RTXNQNCQLBEKLO-DEOSSOPVSA-N 1 0 408.586 5.149 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291834 558697890 /nfs/dbraw/zinc/69/78/90/558697890.db2.gz BJXMLFGHFJUXEK-XMMPIXPASA-N 1 0 408.586 5.556 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291837 558697923 /nfs/dbraw/zinc/69/79/23/558697923.db2.gz BJXMLFGHFJUXEK-DEOSSOPVSA-N 1 0 408.586 5.556 50 0 HKAARO CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000028291843 558697840 /nfs/dbraw/zinc/69/78/40/558697840.db2.gz RSOGVNYDSCGQCJ-OAQYLSRUSA-N 1 0 423.582 5.484 50 0 HKAARO CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000028291846 558697793 /nfs/dbraw/zinc/69/77/93/558697793.db2.gz RSOGVNYDSCGQCJ-NRFANRHFSA-N 1 0 423.582 5.484 50 0 HKAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028291848 558697817 /nfs/dbraw/zinc/69/78/17/558697817.db2.gz LUZOUNAIIMSCRN-RUZDIDTESA-N 1 0 408.586 5.095 50 0 HKAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028291851 558697927 /nfs/dbraw/zinc/69/79/27/558697927.db2.gz LUZOUNAIIMSCRN-VWLOTQADSA-N 1 0 408.586 5.095 50 0 HKAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1C ZINC000028291889 558697885 /nfs/dbraw/zinc/69/78/85/558697885.db2.gz PTZFSASKSGZEAE-RUZDIDTESA-N 1 0 408.586 5.149 50 0 HKAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1C ZINC000028291892 558697824 /nfs/dbraw/zinc/69/78/24/558697824.db2.gz PTZFSASKSGZEAE-VWLOTQADSA-N 1 0 408.586 5.149 50 0 HKAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028292433 558698149 /nfs/dbraw/zinc/69/81/49/558698149.db2.gz WPWKJJDNOKWBJB-RUZDIDTESA-N 1 0 408.586 5.556 50 0 HKAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028292435 558698039 /nfs/dbraw/zinc/69/80/39/558698039.db2.gz WPWKJJDNOKWBJB-VWLOTQADSA-N 1 0 408.586 5.556 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028292437 558698021 /nfs/dbraw/zinc/69/80/21/558698021.db2.gz PCRQNFGPZIKIIN-RUZDIDTESA-N 1 0 408.586 5.554 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028292439 558698115 /nfs/dbraw/zinc/69/81/15/558698115.db2.gz PCRQNFGPZIKIIN-VWLOTQADSA-N 1 0 408.586 5.554 50 0 HKAARO Cc1ccc2c(c1)sc(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1)c2Cl ZINC000028292465 558698170 /nfs/dbraw/zinc/69/81/70/558698170.db2.gz UANUJAHCIKIGMK-LJQANCHMSA-N 1 0 412.986 5.820 50 0 HKAARO Cc1ccc2c(c1)sc(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c2Cl ZINC000028292467 558698102 /nfs/dbraw/zinc/69/81/02/558698102.db2.gz UANUJAHCIKIGMK-IBGZPJMESA-N 1 0 412.986 5.820 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 ZINC000028292473 558698124 /nfs/dbraw/zinc/69/81/24/558698124.db2.gz PSTUQAHKISYVJY-SFHVURJKSA-N 1 0 400.975 5.676 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 ZINC000028292475 558698164 /nfs/dbraw/zinc/69/81/64/558698164.db2.gz PSTUQAHKISYVJY-GOSISDBHSA-N 1 0 400.975 5.676 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000028293408 558698548 /nfs/dbraw/zinc/69/85/48/558698548.db2.gz CMKQAMKKFCKWOA-XMMPIXPASA-N 1 0 422.613 5.730 50 0 HKAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000028293412 558698456 /nfs/dbraw/zinc/69/84/56/558698456.db2.gz CMKQAMKKFCKWOA-DEOSSOPVSA-N 1 0 422.613 5.730 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028293427 558698598 /nfs/dbraw/zinc/69/85/98/558698598.db2.gz VDYCJCYDQUIJRP-RUZDIDTESA-N 1 0 422.613 5.728 50 0 HKAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028293430 558698471 /nfs/dbraw/zinc/69/84/71/558698471.db2.gz VDYCJCYDQUIJRP-VWLOTQADSA-N 1 0 422.613 5.728 50 0 HKAARO CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+]1CCCCC1 ZINC000028293438 558698578 /nfs/dbraw/zinc/69/85/78/558698578.db2.gz YMOPUNOMYAHZQT-XMMPIXPASA-N 1 0 408.586 5.385 50 0 HKAARO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+]1CCCCC1 ZINC000028293441 558698520 /nfs/dbraw/zinc/69/85/20/558698520.db2.gz YMOPUNOMYAHZQT-DEOSSOPVSA-N 1 0 408.586 5.385 50 0 HKAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028293708 558698785 /nfs/dbraw/zinc/69/87/85/558698785.db2.gz VJRPKHBZGIOMGW-HXUWFJFHSA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028293711 558698733 /nfs/dbraw/zinc/69/87/33/558698733.db2.gz VJRPKHBZGIOMGW-FQEVSTJZSA-N 1 0 410.583 5.767 50 0 HKAARO Cc1c(C)n(C[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2c1cccc2Cl ZINC000028296772 558699046 /nfs/dbraw/zinc/69/90/46/558699046.db2.gz TZOSLVCCACACBL-JOCHJYFZSA-N 1 0 417.037 6.240 50 0 HKAARO Cc1c(C)n(C[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2c1cccc2Cl ZINC000028296774 558698999 /nfs/dbraw/zinc/69/89/99/558698999.db2.gz TZOSLVCCACACBL-QFIPXVFZSA-N 1 0 417.037 6.240 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCCC3)c(C)c2c1 ZINC000028404591 558700222 /nfs/dbraw/zinc/70/02/22/558700222.db2.gz BKAMEASIJKXCMK-HXUWFJFHSA-N 1 0 410.583 5.712 50 0 HKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCCC3)c(C)c2c1 ZINC000028404595 558700233 /nfs/dbraw/zinc/70/02/33/558700233.db2.gz BKAMEASIJKXCMK-FQEVSTJZSA-N 1 0 410.583 5.712 50 0 HKAARO Clc1ccccc1Cn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000028428298 558700633 /nfs/dbraw/zinc/70/06/33/558700633.db2.gz QFESTMWXDCFVBN-UHFFFAOYSA-N 1 0 413.952 6.157 50 0 HKAARO C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809552 558705029 /nfs/dbraw/zinc/70/50/29/558705029.db2.gz VTLDLHRLAVEIES-APWZRJJASA-N 1 0 414.534 5.762 50 0 HKAARO C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809555 558705016 /nfs/dbraw/zinc/70/50/16/558705016.db2.gz VTLDLHRLAVEIES-LPHOPBHVSA-N 1 0 414.534 5.762 50 0 HKAARO C[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809558 558705077 /nfs/dbraw/zinc/70/50/77/558705077.db2.gz VTLDLHRLAVEIES-VQIMIIECSA-N 1 0 414.534 5.762 50 0 HKAARO C[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809561 558705021 /nfs/dbraw/zinc/70/50/21/558705021.db2.gz VTLDLHRLAVEIES-QFBILLFUSA-N 1 0 414.534 5.762 50 0 HKAARO O=C(CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887745 568812376 /nfs/dbraw/zinc/81/23/76/568812376.db2.gz ZVJBYBAPBUCHQT-HNNXBMFYSA-N 1 0 413.370 5.065 50 0 HKAARO O=C(CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887751 568812427 /nfs/dbraw/zinc/81/24/27/568812427.db2.gz ZVJBYBAPBUCHQT-OAHLLOKOSA-N 1 0 413.370 5.065 50 0 HKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(SCc2cscn2)cc1 ZINC000029315919 558713249 /nfs/dbraw/zinc/71/32/49/558713249.db2.gz RZBBLYAPMVFSHK-JOCHJYFZSA-N 1 0 423.607 5.002 50 0 HKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(SCc2cscn2)cc1 ZINC000029315925 558713136 /nfs/dbraw/zinc/71/31/36/558713136.db2.gz RZBBLYAPMVFSHK-QFIPXVFZSA-N 1 0 423.607 5.002 50 0 HKAARO COc1ccc(C[N@H+](Cc2nc(-c3ccco3)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000029967515 558724822 /nfs/dbraw/zinc/72/48/22/558724822.db2.gz YZTOKXZYFOXOJR-INIZCTEOSA-N 1 0 409.511 5.033 50 0 HKAARO COc1ccc(C[N@H+](Cc2nc(-c3ccco3)no2)[C@H](C)Cc2cccs2)cc1 ZINC000029967520 558724856 /nfs/dbraw/zinc/72/48/56/558724856.db2.gz YZTOKXZYFOXOJR-MRXNPFEDSA-N 1 0 409.511 5.033 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+](C)C)cc1 ZINC000030020035 558726194 /nfs/dbraw/zinc/72/61/94/558726194.db2.gz HAIPBQNVVPZCMQ-MRXNPFEDSA-N 1 0 423.365 5.249 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+](C)C)cc1 ZINC000030020036 558726069 /nfs/dbraw/zinc/72/60/69/558726069.db2.gz HAIPBQNVVPZCMQ-INIZCTEOSA-N 1 0 423.365 5.249 50 0 HKAARO COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 ZINC000030543590 558732104 /nfs/dbraw/zinc/73/21/04/558732104.db2.gz QOQIKTFTFZOOAL-INIZCTEOSA-N 1 0 416.443 5.539 50 0 HKAARO COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 ZINC000030543593 558732222 /nfs/dbraw/zinc/73/22/22/558732222.db2.gz QOQIKTFTFZOOAL-MRXNPFEDSA-N 1 0 416.443 5.539 50 0 HKAARO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1OCc1cccnc1 ZINC000030543973 558732174 /nfs/dbraw/zinc/73/21/74/558732174.db2.gz PJIDWBVWHUVZCY-UHFFFAOYSA-N 1 0 403.309 5.266 50 0 HKAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000030641070 568878455 /nfs/dbraw/zinc/87/84/55/568878455.db2.gz KXWDNWVFIWBIKE-OAHLLOKOSA-N 1 0 405.523 5.756 50 0 HKAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000030641073 568878553 /nfs/dbraw/zinc/87/85/53/568878553.db2.gz KXWDNWVFIWBIKE-HNNXBMFYSA-N 1 0 405.523 5.756 50 0 HKAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030668593 568880228 /nfs/dbraw/zinc/88/02/28/568880228.db2.gz FNNIQMFNFRNTLH-UHFFFAOYSA-N 1 0 400.931 5.056 50 0 HKAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000030669324 558735294 /nfs/dbraw/zinc/73/52/94/558735294.db2.gz TZUQMYTZGLXQKT-UHFFFAOYSA-N 1 0 400.931 5.056 50 0 HKAARO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000030677934 520850823 /nfs/dbraw/zinc/85/08/23/520850823.db2.gz QASFUMOKHFSJGL-FNAQTUHFSA-N 1 0 411.630 5.002 50 0 biogenic HKAARO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]2C ZINC000030677936 520849926 /nfs/dbraw/zinc/84/99/26/520849926.db2.gz QASFUMOKHFSJGL-BIXJLMAZSA-N 1 0 411.630 5.002 50 0 HKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2occc2-c2ccccc2)cc1 ZINC000031079562 568912478 /nfs/dbraw/zinc/91/24/78/568912478.db2.gz SXFWBLUFVVPKMO-UHFFFAOYSA-N 1 0 410.517 5.605 50 0 HKAARO Cc1ccc(N2Cc3ccccc3/C(=C\c3ccc(Br)cc3)C2=[NH2+])cc1 ZINC000031776098 568931059 /nfs/dbraw/zinc/93/10/59/568931059.db2.gz HRZAHSUHRQYXPT-GURWGSMISA-N 1 0 403.323 6.296 50 0 HKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000031806748 568931716 /nfs/dbraw/zinc/93/17/16/568931716.db2.gz UCXKNHDMLSWGBE-UHFFFAOYSA-N 1 0 420.516 5.288 50 0 HKAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032088215 525741071 /nfs/dbraw/zinc/74/10/71/525741071.db2.gz XSYUWWKDVJBTIA-RXVVDRJESA-N 1 0 411.533 6.010 50 0 HKAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032088219 525739277 /nfs/dbraw/zinc/73/92/77/525739277.db2.gz XSYUWWKDVJBTIA-NQIIRXRSSA-N 1 0 411.533 6.010 50 0 HKAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032088223 525137524 /nfs/dbraw/zinc/13/75/24/525137524.db2.gz XSYUWWKDVJBTIA-GHTZIAJQSA-N 1 0 411.533 6.010 50 0 HKAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032088227 525137334 /nfs/dbraw/zinc/13/73/34/525137334.db2.gz XSYUWWKDVJBTIA-WIYYLYMNSA-N 1 0 411.533 6.010 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000032089373 527530109 /nfs/dbraw/zinc/53/01/09/527530109.db2.gz GZTHZUIACYBHAJ-UHFFFAOYSA-N 1 0 423.560 5.084 50 0 HKAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032095827 525137175 /nfs/dbraw/zinc/13/71/75/525137175.db2.gz XXMPDBUWKJDISG-GMAHTHKFSA-N 1 0 405.504 5.949 50 0 HKAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032095829 525138151 /nfs/dbraw/zinc/13/81/51/525138151.db2.gz XXMPDBUWKJDISG-GGAORHGYSA-N 1 0 405.504 5.949 50 0 HKAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032095831 525739422 /nfs/dbraw/zinc/73/94/22/525739422.db2.gz XXMPDBUWKJDISG-JTHBVZDNSA-N 1 0 405.504 5.949 50 0 HKAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032095833 525739648 /nfs/dbraw/zinc/73/96/48/525739648.db2.gz XXMPDBUWKJDISG-FYYLOGMGSA-N 1 0 405.504 5.949 50 0 HKAARO c1csc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000032109940 526574372 /nfs/dbraw/zinc/57/43/72/526574372.db2.gz QQGPKRKJVXBZBZ-UHFFFAOYSA-N 1 0 417.603 5.783 50 0 HKAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)cc1 ZINC000032622143 524029597 /nfs/dbraw/zinc/02/95/97/524029597.db2.gz UIGGLQZFAUZKDH-XMMPIXPASA-N 1 0 417.553 5.169 50 0 HKAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)cc1 ZINC000032622145 524048847 /nfs/dbraw/zinc/04/88/47/524048847.db2.gz UIGGLQZFAUZKDH-DEOSSOPVSA-N 1 0 417.553 5.169 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000032622147 525725409 /nfs/dbraw/zinc/72/54/09/525725409.db2.gz ZIJHPYPEKLCUEU-XMMPIXPASA-N 1 0 417.553 5.306 50 0 HKAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000032622149 525724421 /nfs/dbraw/zinc/72/44/21/525724421.db2.gz ZIJHPYPEKLCUEU-DEOSSOPVSA-N 1 0 417.553 5.306 50 0 HKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622155 526581895 /nfs/dbraw/zinc/58/18/95/526581895.db2.gz GJFGPVAWUNADFG-GOSISDBHSA-N 1 0 415.946 5.014 50 0 HKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622157 526493680 /nfs/dbraw/zinc/49/36/80/526493680.db2.gz GJFGPVAWUNADFG-SFHVURJKSA-N 1 0 415.946 5.014 50 0 HKAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032622187 524029759 /nfs/dbraw/zinc/02/97/59/524029759.db2.gz COPKJUHMOZUUAO-JOCHJYFZSA-N 1 0 423.944 5.124 50 0 HKAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032622190 524048875 /nfs/dbraw/zinc/04/88/75/524048875.db2.gz COPKJUHMOZUUAO-QFIPXVFZSA-N 1 0 423.944 5.124 50 0 HKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000032622333 519048710 /nfs/dbraw/zinc/04/87/10/519048710.db2.gz DPQBAHRKBCLUMK-HSZRJFAPSA-N 1 0 417.553 5.206 50 0 HKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000032622335 519049445 /nfs/dbraw/zinc/04/94/45/519049445.db2.gz DPQBAHRKBCLUMK-QHCPKHFHSA-N 1 0 417.553 5.206 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCC(C)CC2)o1 ZINC000032622956 525956838 /nfs/dbraw/zinc/95/68/38/525956838.db2.gz UFWLVSQNVQTLKM-QFIPXVFZSA-N 1 0 421.541 5.063 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCC(C)CC2)o1 ZINC000032622958 525762132 /nfs/dbraw/zinc/76/21/32/525762132.db2.gz UFWLVSQNVQTLKM-JOCHJYFZSA-N 1 0 421.541 5.063 50 0 HKAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCC2)cc1 ZINC000032623100 524029198 /nfs/dbraw/zinc/02/91/98/524029198.db2.gz XIMLNAAVEGHERU-XMMPIXPASA-N 1 0 417.553 5.088 50 0 HKAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCC2)cc1 ZINC000032623102 524048662 /nfs/dbraw/zinc/04/86/62/524048662.db2.gz XIMLNAAVEGHERU-DEOSSOPVSA-N 1 0 417.553 5.088 50 0 HKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCCC2)cc1 ZINC000032623489 525763192 /nfs/dbraw/zinc/76/31/92/525763192.db2.gz QCXLMNXGXCWJCZ-HXUWFJFHSA-N 1 0 409.555 5.059 50 0 HKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCCC2)cc1 ZINC000032623491 525958412 /nfs/dbraw/zinc/95/84/12/525958412.db2.gz QCXLMNXGXCWJCZ-FQEVSTJZSA-N 1 0 409.555 5.059 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 ZINC000032624191 520836620 /nfs/dbraw/zinc/83/66/20/520836620.db2.gz IUVHGMTXLTVVJH-FQEVSTJZSA-N 1 0 411.571 5.339 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 ZINC000032624193 520866386 /nfs/dbraw/zinc/86/63/86/520866386.db2.gz IUVHGMTXLTVVJH-HXUWFJFHSA-N 1 0 411.571 5.339 50 0 HKAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)[NH+]2CCCC2)cc1 ZINC000032732007 525185819 /nfs/dbraw/zinc/18/58/19/525185819.db2.gz BWNYMWXRMJNYHR-OAQYLSRUSA-N 1 0 424.928 5.176 50 0 HKAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)[NH+]2CCCC2)cc1 ZINC000032732010 525358587 /nfs/dbraw/zinc/35/85/87/525358587.db2.gz BWNYMWXRMJNYHR-NRFANRHFSA-N 1 0 424.928 5.176 50 0 HKAARO Cc1ccc(-c2nnc([C@@H](C)[NH2+]C[C@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739729 525859574 /nfs/dbraw/zinc/85/95/74/525859574.db2.gz XYFRCCKMMPMNHM-XXBNENTESA-N 1 0 422.532 6.009 50 0 HKAARO Cc1ccc(-c2nnc([C@H](C)[NH2+]C[C@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739730 525860656 /nfs/dbraw/zinc/86/06/56/525860656.db2.gz XYFRCCKMMPMNHM-CVDCTZTESA-N 1 0 422.532 6.009 50 0 HKAARO Cc1ccc(-c2nnc([C@@H](C)[NH2+]C[C@@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739731 525859555 /nfs/dbraw/zinc/85/95/55/525859555.db2.gz XYFRCCKMMPMNHM-AUSIDOKSSA-N 1 0 422.532 6.009 50 0 HKAARO Cc1ccc(-c2nnc([C@H](C)[NH2+]C[C@@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739732 525860630 /nfs/dbraw/zinc/86/06/30/525860630.db2.gz XYFRCCKMMPMNHM-WMZHIEFXSA-N 1 0 422.532 6.009 50 0 HKAARO CCOc1ccc(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000032751343 520961654 /nfs/dbraw/zinc/96/16/54/520961654.db2.gz DBYYNULRJIGCTN-UHFFFAOYSA-N 1 0 401.510 5.041 50 0 HKAARO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000032759974 519445587 /nfs/dbraw/zinc/44/55/87/519445587.db2.gz LIEKIJJPFLTAPW-QFIPXVFZSA-N 1 0 409.599 5.159 50 0 HKAARO CC(C)Cc1ccc([C@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000032759977 519450798 /nfs/dbraw/zinc/45/07/98/519450798.db2.gz LIEKIJJPFLTAPW-JOCHJYFZSA-N 1 0 409.599 5.159 50 0 HKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032795559 520760109 /nfs/dbraw/zinc/76/01/09/520760109.db2.gz FUKIEVOKPCTOFO-UHFFFAOYSA-N 1 0 418.585 5.099 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000032819097 520837487 /nfs/dbraw/zinc/83/74/87/520837487.db2.gz TZIPNIJSUKGQND-NRFANRHFSA-N 1 0 414.640 5.368 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000032819098 520866483 /nfs/dbraw/zinc/86/64/83/520866483.db2.gz TZIPNIJSUKGQND-OAQYLSRUSA-N 1 0 414.640 5.368 50 0 HKAARO Clc1ccc(OCc2cccnc2)c(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032825978 526958890 /nfs/dbraw/zinc/95/88/90/526958890.db2.gz HTRCYLPSRHVQRZ-UHFFFAOYSA-N 1 0 421.972 5.068 50 0 HKAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000032833355 520744657 /nfs/dbraw/zinc/74/46/57/520744657.db2.gz MQWKGCSLGGMVGA-UHFFFAOYSA-N 1 0 407.583 5.158 50 0 HKAARO Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032894176 527158123 /nfs/dbraw/zinc/15/81/23/527158123.db2.gz FVNCDVAYXMFRNV-UHFFFAOYSA-N 1 0 415.581 5.797 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000032894178 523374906 /nfs/dbraw/zinc/37/49/06/523374906.db2.gz KHWUWEKXFIJDAO-UHFFFAOYSA-N 1 0 404.476 5.651 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000032900664 523374741 /nfs/dbraw/zinc/37/47/41/523374741.db2.gz AARNPVSTYBQFTP-UHFFFAOYSA-N 1 0 420.582 5.151 50 0 HKAARO Cc1c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1-c1ccccc1F ZINC000032903627 525661062 /nfs/dbraw/zinc/66/10/62/525661062.db2.gz HPBSPUOTKQEICN-UHFFFAOYSA-N 1 0 420.532 5.337 50 0 HKAARO Cc1noc(-c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2)n1 ZINC000032905875 526450578 /nfs/dbraw/zinc/45/05/78/526450578.db2.gz KBWUIHOMJPHCHG-UHFFFAOYSA-N 1 0 404.514 5.062 50 0 HKAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000032931174 526739111 /nfs/dbraw/zinc/73/91/11/526739111.db2.gz SYQFZDZIZSHSHJ-GOSISDBHSA-N 1 0 403.526 5.063 50 0 HKAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000032931175 526737947 /nfs/dbraw/zinc/73/79/47/526737947.db2.gz SYQFZDZIZSHSHJ-SFHVURJKSA-N 1 0 403.526 5.063 50 0 HKAARO COc1ccccc1-c1nnc(SCC[C@@H]2CCCC[N@@H+]2C)n1-c1ccc(C)cc1 ZINC000032944878 524291206 /nfs/dbraw/zinc/29/12/06/524291206.db2.gz MAGNQAMQDVXPPN-IBGZPJMESA-N 1 0 422.598 5.218 50 0 HKAARO COc1ccccc1-c1nnc(SCC[C@H]2CCCC[N@@H+]2C)n1-c1ccc(C)cc1 ZINC000032944880 524290612 /nfs/dbraw/zinc/29/06/12/524290612.db2.gz MAGNQAMQDVXPPN-LJQANCHMSA-N 1 0 422.598 5.218 50 0 HKAARO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032951919 527270197 /nfs/dbraw/zinc/27/01/97/527270197.db2.gz QJSYEIYIDCASBE-UHFFFAOYSA-N 1 0 418.647 5.011 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953268 527168855 /nfs/dbraw/zinc/16/88/55/527168855.db2.gz ZHPPRKHCNXPKLG-UHFFFAOYSA-N 1 0 408.505 5.145 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 ZINC000032970898 522024659 /nfs/dbraw/zinc/02/46/59/522024659.db2.gz LZVSWGHCBSKBLI-HNNXBMFYSA-N 1 0 408.445 5.060 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 ZINC000032970899 522083787 /nfs/dbraw/zinc/08/37/87/522083787.db2.gz LZVSWGHCBSKBLI-OAHLLOKOSA-N 1 0 408.445 5.060 50 0 HKAARO CSc1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000032983113 558804194 /nfs/dbraw/zinc/80/41/94/558804194.db2.gz PBBSWXYNMUAAHP-GOSISDBHSA-N 1 0 409.020 5.326 50 0 HKAARO CSc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000032983114 558804199 /nfs/dbraw/zinc/80/41/99/558804199.db2.gz PBBSWXYNMUAAHP-SFHVURJKSA-N 1 0 409.020 5.326 50 0 HKAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988515 558808245 /nfs/dbraw/zinc/80/82/45/558808245.db2.gz VUTZBMQXFZGCCV-XMMPIXPASA-N 1 0 421.972 5.001 50 0 HKAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988517 568510708 /nfs/dbraw/zinc/51/07/08/568510708.db2.gz VUTZBMQXFZGCCV-DEOSSOPVSA-N 1 0 421.972 5.001 50 0 HKAARO C[N@H+](CC1CCN(c2ncccc2NC(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000033009156 569057737 /nfs/dbraw/zinc/05/77/37/569057737.db2.gz BQGDGPBGOOCTGC-UHFFFAOYSA-N 1 0 421.589 5.207 50 0 HKAARO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)oc3ccc(OC)cc23)cc1 ZINC000033018710 558759979 /nfs/dbraw/zinc/75/99/79/558759979.db2.gz GOCYPXMVHFDZAE-UHFFFAOYSA-N 1 0 415.489 5.013 50 0 HKAARO COc1ccc(C[N@@H+](Cc2cc(=O)oc3c(C)cc(C)cc23)CC(C)C)cc1OC ZINC000033018769 558759990 /nfs/dbraw/zinc/75/99/90/558759990.db2.gz QJOTYYKEYCBFRB-UHFFFAOYSA-N 1 0 409.526 5.085 50 0 HKAARO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036825 558860652 /nfs/dbraw/zinc/86/06/52/558860652.db2.gz PGWNAOHSOGHJFM-LJQANCHMSA-N 1 0 419.544 5.344 50 0 HKAARO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036827 568510860 /nfs/dbraw/zinc/51/08/60/568510860.db2.gz PGWNAOHSOGHJFM-IBGZPJMESA-N 1 0 419.544 5.344 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCCC[NH+]4CCCCC4)cc(C)nc23)cc1 ZINC000033036949 525757788 /nfs/dbraw/zinc/75/77/88/525757788.db2.gz IMRCZXXMYPSYBR-UHFFFAOYSA-N 1 0 401.554 5.124 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCCC[NH+]4CCCCCC4)cc(C)nc23)cc1 ZINC000033036951 525757161 /nfs/dbraw/zinc/75/71/61/525757161.db2.gz HULUNUSSMJQKSO-UHFFFAOYSA-N 1 0 415.581 5.515 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCC[NH+]4CCCCCC4)cc(C)nc23)cc1 ZINC000033036956 525756148 /nfs/dbraw/zinc/75/61/48/525756148.db2.gz RQBGZXKCSFGNKZ-UHFFFAOYSA-N 1 0 401.554 5.124 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc(C)nc23)cc1 ZINC000033036957 525757239 /nfs/dbraw/zinc/75/72/39/525757239.db2.gz SMNHBRUKGJNCRY-UHFFFAOYSA-N 1 0 423.560 5.380 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc(C)nc23)cc1 ZINC000033036960 525757666 /nfs/dbraw/zinc/75/76/66/525757666.db2.gz VEEFGRIMSXSOBV-HXUWFJFHSA-N 1 0 401.554 5.123 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc(C)nc23)cc1 ZINC000033036962 525757745 /nfs/dbraw/zinc/75/77/45/525757745.db2.gz VEEFGRIMSXSOBV-FQEVSTJZSA-N 1 0 401.554 5.123 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc(C)nc23)cc1 ZINC000033036967 525757217 /nfs/dbraw/zinc/75/72/17/525757217.db2.gz BDIDAKDCUFYPHY-HXUWFJFHSA-N 1 0 415.581 5.370 50 0 HKAARO Cc1ccc(-c2cccc3c(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc(C)nc23)cc1 ZINC000033036969 525756862 /nfs/dbraw/zinc/75/68/62/525756862.db2.gz BDIDAKDCUFYPHY-FQEVSTJZSA-N 1 0 415.581 5.370 50 0 HKAARO CC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(C)cc1 ZINC000033040124 558869466 /nfs/dbraw/zinc/86/94/66/558869466.db2.gz FDCFTFYWRQSVIN-LJQANCHMSA-N 1 0 423.969 5.854 50 0 HKAARO CC[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(C)cc1 ZINC000033040125 558869529 /nfs/dbraw/zinc/86/95/29/558869529.db2.gz FDCFTFYWRQSVIN-IBGZPJMESA-N 1 0 423.969 5.854 50 0 HKAARO O=C(c1ccc2noc(-c3ccc(Cl)cc3)c2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033058223 558942286 /nfs/dbraw/zinc/94/22/86/558942286.db2.gz CQHSXDUOASMMBD-UHFFFAOYSA-N 1 0 423.944 5.239 50 0 HKAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000033059983 558954162 /nfs/dbraw/zinc/95/41/62/558954162.db2.gz OBWXVZNNRQQEOD-UHFFFAOYSA-N 1 0 424.614 5.088 50 0 HKAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068904 558970635 /nfs/dbraw/zinc/97/06/35/558970635.db2.gz WBIPLWLSLKHSOR-UHFFFAOYSA-N 1 0 421.541 5.220 50 0 HKAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068942 558978488 /nfs/dbraw/zinc/97/84/88/558978488.db2.gz MIEYUVDEGQFEKW-UHFFFAOYSA-N 1 0 403.551 5.144 50 0 HKAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc1 ZINC000033068946 558978459 /nfs/dbraw/zinc/97/84/59/558978459.db2.gz PBZUGMSLMNTPFE-UHFFFAOYSA-N 1 0 417.578 5.390 50 0 HKAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069031 558982633 /nfs/dbraw/zinc/98/26/33/558982633.db2.gz HTYKXECGPOHLMN-UHFFFAOYSA-N 1 0 409.599 5.170 50 0 HKAARO CC(C)C[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069033 558982690 /nfs/dbraw/zinc/98/26/90/558982690.db2.gz MIOJTMKNGNMNKC-UHFFFAOYSA-N 1 0 423.626 5.416 50 0 HKAARO Cc1csc2nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n12 ZINC000033069041 558982981 /nfs/dbraw/zinc/98/29/81/558982981.db2.gz BQYGQZQYLUFJGD-UHFFFAOYSA-N 1 0 417.578 5.390 50 0 HKAARO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000033078141 558867518 /nfs/dbraw/zinc/86/75/18/558867518.db2.gz IGLBRSNHQXPMPW-UHFFFAOYSA-N 1 0 415.541 5.090 50 0 HKAARO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000033078151 558867559 /nfs/dbraw/zinc/86/75/59/558867559.db2.gz HIZHWEOSLDTFMM-UHFFFAOYSA-N 1 0 421.932 5.425 50 0 HKAARO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000033078152 558867490 /nfs/dbraw/zinc/86/74/90/558867490.db2.gz RLFXTDKNHNXHSF-UHFFFAOYSA-N 1 0 421.932 5.425 50 0 HKAARO COC(=O)Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c2cc(OC)ccc21 ZINC000033087048 558760699 /nfs/dbraw/zinc/76/06/99/558760699.db2.gz RBZMRDCFWMMBFD-OAQYLSRUSA-N 1 0 412.555 5.002 50 0 HKAARO COC(=O)Cn1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c2cc(OC)ccc21 ZINC000033087049 558760523 /nfs/dbraw/zinc/76/05/23/558760523.db2.gz RBZMRDCFWMMBFD-NRFANRHFSA-N 1 0 412.555 5.002 50 0 HKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087068 558760595 /nfs/dbraw/zinc/76/05/95/558760595.db2.gz WAGAMDJBTGTTLN-GOSISDBHSA-N 1 0 413.505 5.953 50 0 HKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087069 558760531 /nfs/dbraw/zinc/76/05/31/558760531.db2.gz WAGAMDJBTGTTLN-SFHVURJKSA-N 1 0 413.505 5.953 50 0 HKAARO c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087084 558760741 /nfs/dbraw/zinc/76/07/41/558760741.db2.gz XUOVWXFZIGSYOW-NRFANRHFSA-N 1 0 419.619 6.780 50 0 HKAARO c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087085 558760678 /nfs/dbraw/zinc/76/06/78/558760678.db2.gz XUOVWXFZIGSYOW-OAQYLSRUSA-N 1 0 419.619 6.780 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140141 558892233 /nfs/dbraw/zinc/89/22/33/558892233.db2.gz LQBBZUQICKZQFF-UHFFFAOYSA-N 1 0 421.544 5.296 50 0 HKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257728 558924450 /nfs/dbraw/zinc/92/44/50/558924450.db2.gz WJHNTUQNJDOUCI-UHFFFAOYSA-N 1 0 416.525 5.242 50 0 HKAARO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268792 558992966 /nfs/dbraw/zinc/99/29/66/558992966.db2.gz JNWKQQGSNZCMFT-UHFFFAOYSA-N 1 0 403.551 5.081 50 0 HKAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268804 558993141 /nfs/dbraw/zinc/99/31/41/558993141.db2.gz BXLYXJLSFQVQIH-UHFFFAOYSA-N 1 0 409.942 5.099 50 0 HKAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268808 558993101 /nfs/dbraw/zinc/99/31/01/558993101.db2.gz DBOWXWPSWCKQNF-UHFFFAOYSA-N 1 0 423.969 5.489 50 0 HKAARO CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268849 558993181 /nfs/dbraw/zinc/99/31/81/558993181.db2.gz FYFIWQIENIKLDM-UHFFFAOYSA-N 1 0 417.578 5.569 50 0 HKAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000033272067 559033512 /nfs/dbraw/zinc/03/35/12/559033512.db2.gz HPOWXZXDVPQRLJ-UHFFFAOYSA-N 1 0 424.548 5.035 50 0 HKAARO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(N2CCCCC2)n1 ZINC000033318586 568513908 /nfs/dbraw/zinc/51/39/08/568513908.db2.gz ZSSORRGWKQREFI-UHFFFAOYSA-N 1 0 420.492 5.302 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(C/C=C\c4ccccc4)CC3)ccc21 ZINC000033339321 559064782 /nfs/dbraw/zinc/06/47/82/559064782.db2.gz HPSARTYEDBFIGM-FLIBITNWSA-N 1 0 409.577 5.645 50 0 HKAARO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000033435704 559192877 /nfs/dbraw/zinc/19/28/77/559192877.db2.gz LPNFTHYQNAWEIM-UGKGYDQZSA-N 1 0 412.574 5.112 50 0 HKAARO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000033435705 559192875 /nfs/dbraw/zinc/19/28/75/559192875.db2.gz LPNFTHYQNAWEIM-KNQAVFIVSA-N 1 0 412.574 5.112 50 0 HKAARO Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000033435706 559192896 /nfs/dbraw/zinc/19/28/96/559192896.db2.gz USTZOLMUDCRMRV-REWPJTCUSA-N 1 0 408.611 5.912 50 0 HKAARO Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000033435707 559192883 /nfs/dbraw/zinc/19/28/83/559192883.db2.gz USTZOLMUDCRMRV-OFNKIYASSA-N 1 0 408.611 5.912 50 0 HKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000033651374 559226137 /nfs/dbraw/zinc/22/61/37/559226137.db2.gz WSVWXAFMJOHYFE-UHFFFAOYSA-N 1 0 414.471 5.728 50 0 HKAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000033699215 559229786 /nfs/dbraw/zinc/22/97/86/559229786.db2.gz GFNAIMIAENVOOC-DFZCOPKLSA-N 1 0 423.729 8.183 50 0 HKAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000033699216 568517674 /nfs/dbraw/zinc/51/76/74/568517674.db2.gz GFNAIMIAENVOOC-XPSCAIQQSA-N 1 0 423.729 8.183 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc4c(c3)OCO4)CCC[C@@]21C ZINC000033779617 559244952 /nfs/dbraw/zinc/24/49/52/559244952.db2.gz YOOJEFRMLLOATM-PKTNWEFCSA-N 1 0 419.609 6.339 50 0 HKAARO CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)c2c(c1O)CCCC2 ZINC000033991990 571310694 /nfs/dbraw/zinc/31/06/94/571310694.db2.gz VEVMYTDOWUQLGI-UHFFFAOYSA-N 1 0 409.961 6.104 50 0 HKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000034024963 558772728 /nfs/dbraw/zinc/77/27/28/558772728.db2.gz IMTMMGXRAMGUDP-CDILPITASA-N 1 0 424.544 5.135 50 0 biogenic HKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000034024965 558772616 /nfs/dbraw/zinc/77/26/16/558772616.db2.gz IMTMMGXRAMGUDP-FQJHJXCSSA-N 1 0 424.544 5.135 50 0 biogenic HKAARO O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669591 557362714 /nfs/dbraw/zinc/36/27/14/557362714.db2.gz AKVXOEGJJITXDW-ILBGXUMGSA-N 1 0 402.513 5.095 50 0 HKAARO O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669593 557362735 /nfs/dbraw/zinc/36/27/35/557362735.db2.gz AKVXOEGJJITXDW-UKILVPOCSA-N 1 0 402.513 5.095 50 0 HKAARO O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669595 557362600 /nfs/dbraw/zinc/36/26/00/557362600.db2.gz AKVXOEGJJITXDW-NOZRDPDXSA-N 1 0 402.513 5.095 50 0 HKAARO O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669599 557362745 /nfs/dbraw/zinc/36/27/45/557362745.db2.gz AKVXOEGJJITXDW-ZCYQVOJMSA-N 1 0 402.513 5.095 50 0 HKAARO O=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669648 557362761 /nfs/dbraw/zinc/36/27/61/557362761.db2.gz LIWJIDCQTAQKBS-AOYPEHQESA-N 1 0 416.540 5.138 50 0 HKAARO O=C(NCCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669650 557362590 /nfs/dbraw/zinc/36/25/90/557362590.db2.gz LIWJIDCQTAQKBS-AZGAKELHSA-N 1 0 416.540 5.138 50 0 HKAARO O=C(NCCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669652 557362723 /nfs/dbraw/zinc/36/27/23/557362723.db2.gz LIWJIDCQTAQKBS-RSXGOPAZSA-N 1 0 416.540 5.138 50 0 HKAARO O=C(NCCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669654 557362642 /nfs/dbraw/zinc/36/26/42/557362642.db2.gz LIWJIDCQTAQKBS-AHWVRZQESA-N 1 0 416.540 5.138 50 0 HKAARO O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669712 557362654 /nfs/dbraw/zinc/36/26/54/557362654.db2.gz YIZVACURQJYMMC-DHLKQENFSA-N 1 0 420.503 5.235 50 0 HKAARO O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669714 557362573 /nfs/dbraw/zinc/36/25/73/557362573.db2.gz YIZVACURQJYMMC-WIOPSUGQSA-N 1 0 420.503 5.235 50 0 HKAARO O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669717 557362872 /nfs/dbraw/zinc/36/28/72/557362872.db2.gz YIZVACURQJYMMC-RDGATRHJSA-N 1 0 420.503 5.235 50 0 HKAARO O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669719 557362986 /nfs/dbraw/zinc/36/29/86/557362986.db2.gz YIZVACURQJYMMC-RCZVLFRGSA-N 1 0 420.503 5.235 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669730 557363017 /nfs/dbraw/zinc/36/30/17/557363017.db2.gz WQLXOFWOZHNBQQ-AOYPEHQESA-N 1 0 416.540 5.438 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669732 557362897 /nfs/dbraw/zinc/36/28/97/557362897.db2.gz WQLXOFWOZHNBQQ-AZGAKELHSA-N 1 0 416.540 5.438 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669734 557363049 /nfs/dbraw/zinc/36/30/49/557363049.db2.gz WQLXOFWOZHNBQQ-RSXGOPAZSA-N 1 0 416.540 5.438 50 0 HKAARO CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669736 557363039 /nfs/dbraw/zinc/36/30/39/557363039.db2.gz WQLXOFWOZHNBQQ-AHWVRZQESA-N 1 0 416.540 5.438 50 0 HKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)s1 ZINC000034670189 557363097 /nfs/dbraw/zinc/36/30/97/557363097.db2.gz BTHXNZDDJUXMQC-FQEVSTJZSA-N 1 0 424.610 6.189 50 0 HKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)s1 ZINC000034670191 557363071 /nfs/dbraw/zinc/36/30/71/557363071.db2.gz BTHXNZDDJUXMQC-HXUWFJFHSA-N 1 0 424.610 6.189 50 0 HKAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670370 557363080 /nfs/dbraw/zinc/36/30/80/557363080.db2.gz UHWQVNYYEARZQB-XMMPIXPASA-N 1 0 400.522 5.191 50 0 HKAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670372 557363102 /nfs/dbraw/zinc/36/31/02/557363102.db2.gz UHWQVNYYEARZQB-DEOSSOPVSA-N 1 0 400.522 5.191 50 0 HKAARO Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000034675595 571316435 /nfs/dbraw/zinc/31/64/35/571316435.db2.gz COGSAFUMYQWQDX-UHFFFAOYSA-N 1 0 411.615 5.236 50 0 HKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)C4CCCC4)cn3)CC2)cc1 ZINC000034681739 557383588 /nfs/dbraw/zinc/38/35/88/557383588.db2.gz RKETUUBIFZCHKI-UHFFFAOYSA-N 1 0 420.601 5.046 50 0 HKAARO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682494 557384016 /nfs/dbraw/zinc/38/40/16/557384016.db2.gz GNDSJDCXUQSLIZ-UHFFFAOYSA-N 1 0 410.970 5.713 50 0 HKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)cc1 ZINC000034682499 557384361 /nfs/dbraw/zinc/38/43/61/557384361.db2.gz NLXFZSHFCDXKIA-UHFFFAOYSA-N 1 0 418.606 6.183 50 0 HKAARO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682511 557384342 /nfs/dbraw/zinc/38/43/42/557384342.db2.gz XKBPECMXCQCRNM-UHFFFAOYSA-N 1 0 418.503 5.749 50 0 HKAARO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682530 557384389 /nfs/dbraw/zinc/38/43/89/557384389.db2.gz BGMZWIBNACKGAP-UHFFFAOYSA-N 1 0 404.941 5.651 50 0 HKAARO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682535 557384384 /nfs/dbraw/zinc/38/43/84/557384384.db2.gz NLLOBJUKTLHDHF-UHFFFAOYSA-N 1 0 404.941 5.651 50 0 HKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682544 557384248 /nfs/dbraw/zinc/38/42/48/557384248.db2.gz IGYJMWHVWJGTPF-UHFFFAOYSA-N 1 0 418.968 5.960 50 0 HKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccc(F)cc3)CC2)cc1 ZINC000034682564 557384269 /nfs/dbraw/zinc/38/42/69/557384269.db2.gz ZMMIZXLEGFSAEZ-UHFFFAOYSA-N 1 0 420.528 5.854 50 0 HKAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682571 557384400 /nfs/dbraw/zinc/38/44/00/557384400.db2.gz NZNXJBQWZMLIFO-UHFFFAOYSA-N 1 0 422.466 5.498 50 0 HKAARO O=C(c1cccs1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682587 557384307 /nfs/dbraw/zinc/38/43/07/557384307.db2.gz HMCRTRLFVCCOOL-UHFFFAOYSA-N 1 0 400.544 5.260 50 0 HKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682600 557384241 /nfs/dbraw/zinc/38/42/41/557384241.db2.gz VCTNYLFOISYVNO-UHFFFAOYSA-N 1 0 402.941 5.523 50 0 HKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682602 557384217 /nfs/dbraw/zinc/38/42/17/557384217.db2.gz IDOHBQUDFLVCOQ-UHFFFAOYSA-N 1 0 402.941 5.523 50 0 HKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682610 557384355 /nfs/dbraw/zinc/38/43/55/557384355.db2.gz VVMJWFFTCGWDRU-UHFFFAOYSA-N 1 0 410.577 5.993 50 0 HKAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682612 557384199 /nfs/dbraw/zinc/38/41/99/557384199.db2.gz OJODRFZMRJNZCM-UHFFFAOYSA-N 1 0 408.439 5.252 50 0 HKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682625 557384171 /nfs/dbraw/zinc/38/41/71/557384171.db2.gz WAJGPOMKTKHZOW-UHFFFAOYSA-N 1 0 422.931 5.791 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034682642 557384224 /nfs/dbraw/zinc/38/42/24/557384224.db2.gz LEUKRRZPQDLEAT-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682664 557384259 /nfs/dbraw/zinc/38/42/59/557384259.db2.gz VQZLWSOKZHTYQO-UHFFFAOYSA-N 1 0 423.919 5.186 50 0 HKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682677 557384570 /nfs/dbraw/zinc/38/45/70/557384570.db2.gz MWPOBFOPIPDOSD-UHFFFAOYSA-N 1 0 424.541 5.207 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034682686 557384606 /nfs/dbraw/zinc/38/46/06/557384606.db2.gz XUGJXBSRLGHMFV-UHFFFAOYSA-N 1 0 406.551 5.068 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034682688 557384573 /nfs/dbraw/zinc/38/45/73/557384573.db2.gz QPWSDWFUAGCYBP-UHFFFAOYSA-N 1 0 406.551 5.068 50 0 HKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034682694 557384623 /nfs/dbraw/zinc/38/46/23/557384623.db2.gz MODZXNSTRRLSFM-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034682697 557384638 /nfs/dbraw/zinc/38/46/38/557384638.db2.gz GQMDHRFXCOJVQJ-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000034682704 557384658 /nfs/dbraw/zinc/38/46/58/557384658.db2.gz UXQSLOQLGXRZNT-UHFFFAOYSA-N 1 0 424.928 5.253 50 0 HKAARO Cc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1F ZINC000034682723 557384591 /nfs/dbraw/zinc/38/45/91/557384591.db2.gz DZIJAFJKOIDAAW-UHFFFAOYSA-N 1 0 410.577 5.911 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000034682733 557384614 /nfs/dbraw/zinc/38/46/14/557384614.db2.gz XXHXQKWGJMKNMK-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682736 557384588 /nfs/dbraw/zinc/38/45/88/557384588.db2.gz LEQYLBOGZNQHDA-UHFFFAOYSA-N 1 0 402.941 5.585 50 0 HKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682741 557384611 /nfs/dbraw/zinc/38/46/11/557384611.db2.gz UFNWLWFTOWRSMH-UHFFFAOYSA-N 1 0 402.941 5.585 50 0 HKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682746 557384618 /nfs/dbraw/zinc/38/46/18/557384618.db2.gz YLKZTNQPKYPXCS-UHFFFAOYSA-N 1 0 410.577 6.055 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034682750 557384577 /nfs/dbraw/zinc/38/45/77/557384577.db2.gz SZTCXRFXYPWCIM-UHFFFAOYSA-N 1 0 422.569 5.815 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034682751 557384635 /nfs/dbraw/zinc/38/46/35/557384635.db2.gz JWASNEWIAQGSSH-UHFFFAOYSA-N 1 0 422.569 5.815 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034682768 557384904 /nfs/dbraw/zinc/38/49/04/557384904.db2.gz XLBPDUZCHYVTCT-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034682770 557384923 /nfs/dbraw/zinc/38/49/23/557384923.db2.gz QNJQMBXMQXKFLD-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682794 571316371 /nfs/dbraw/zinc/31/63/71/571316371.db2.gz FWMDVQVSMSWILX-UHFFFAOYSA-N 1 0 420.475 5.122 50 0 HKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682812 557384896 /nfs/dbraw/zinc/38/48/96/557384896.db2.gz KSZJFZHUYZXGKE-UHFFFAOYSA-N 1 0 406.551 5.068 50 0 HKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682829 557384940 /nfs/dbraw/zinc/38/49/40/557384940.db2.gz TYMXZEMFSMFAIL-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682898 557384948 /nfs/dbraw/zinc/38/49/48/557384948.db2.gz GQJAQRCLNOFEFF-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682901 557384877 /nfs/dbraw/zinc/38/48/77/557384877.db2.gz WZEMEMBMHCFKSA-UHFFFAOYSA-N 1 0 408.929 5.553 50 0 HKAARO COc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682918 557384964 /nfs/dbraw/zinc/38/49/64/557384964.db2.gz GTZNQNZSTAJFJC-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034682919 557384994 /nfs/dbraw/zinc/38/49/94/557384994.db2.gz PZOPXXMJNZTROP-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1cccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(C)cc3)CC2)c1OC ZINC000034682924 557385015 /nfs/dbraw/zinc/38/50/15/557385015.db2.gz NLXAYCAOWUSCRJ-UHFFFAOYSA-N 1 0 424.585 5.056 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682936 557384886 /nfs/dbraw/zinc/38/48/86/557384886.db2.gz PDCLWAMHXYNIJJ-UHFFFAOYSA-N 1 0 418.968 5.960 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682951 557385221 /nfs/dbraw/zinc/38/52/21/557385221.db2.gz XFMPDAPCJBOLIT-UHFFFAOYSA-N 1 0 404.579 5.676 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034682953 557385273 /nfs/dbraw/zinc/38/52/73/557385273.db2.gz LRRQLSIPWNCQIE-UHFFFAOYSA-N 1 0 404.579 5.676 50 0 HKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034682975 557385264 /nfs/dbraw/zinc/38/52/64/557385264.db2.gz WVCZOTSEFISXTP-UHFFFAOYSA-N 1 0 419.956 5.355 50 0 HKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683009 557385463 /nfs/dbraw/zinc/38/54/63/557385463.db2.gz PAWZAZJDUBWAME-UHFFFAOYSA-N 1 0 404.579 5.676 50 0 HKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683012 557385491 /nfs/dbraw/zinc/38/54/91/557385491.db2.gz YPJADPIHYXLULR-UHFFFAOYSA-N 1 0 404.579 5.676 50 0 HKAARO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683034 557385547 /nfs/dbraw/zinc/38/55/47/557385547.db2.gz TUMLDVIIJQVQFB-UHFFFAOYSA-N 1 0 404.579 5.676 50 0 HKAARO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034683053 557385513 /nfs/dbraw/zinc/38/55/13/557385513.db2.gz MCSXFSFYOJVBAL-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034683057 557385518 /nfs/dbraw/zinc/38/55/18/557385518.db2.gz KUVVOUIBMSSNOT-UHFFFAOYSA-N 1 0 406.501 5.293 50 0 HKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683058 557385445 /nfs/dbraw/zinc/38/54/45/557385445.db2.gz SGGZVAQAAHALDJ-UHFFFAOYSA-N 1 0 422.569 5.761 50 0 HKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683060 557385892 /nfs/dbraw/zinc/38/58/92/557385892.db2.gz HSOBEFGEEZWBDB-UHFFFAOYSA-N 1 0 422.569 5.761 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683091 557385809 /nfs/dbraw/zinc/38/58/09/557385809.db2.gz AARNBHQIORIZNA-UHFFFAOYSA-N 1 0 404.579 5.622 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683095 557385817 /nfs/dbraw/zinc/38/58/17/557385817.db2.gz ACUADLPLOFWHBU-UHFFFAOYSA-N 1 0 404.579 5.622 50 0 HKAARO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034683105 557385862 /nfs/dbraw/zinc/38/58/62/557385862.db2.gz PGNZFYCQVUQZEL-UHFFFAOYSA-N 1 0 424.585 5.064 50 0 HKAARO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000034683106 557385835 /nfs/dbraw/zinc/38/58/35/557385835.db2.gz JXKDUOJRVBUPEY-UHFFFAOYSA-N 1 0 424.585 5.064 50 0 HKAARO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034683107 557385850 /nfs/dbraw/zinc/38/58/50/557385850.db2.gz GKOGSGAIRPFRQJ-UHFFFAOYSA-N 1 0 406.614 6.170 50 0 HKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034683116 557385821 /nfs/dbraw/zinc/38/58/21/557385821.db2.gz PEYGSJSRZAKWKZ-UHFFFAOYSA-N 1 0 424.541 5.207 50 0 HKAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000034683124 557385802 /nfs/dbraw/zinc/38/58/02/557385802.db2.gz YCZCPGNJNUOGDV-UHFFFAOYSA-N 1 0 424.928 5.253 50 0 HKAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034683140 557385844 /nfs/dbraw/zinc/38/58/44/557385844.db2.gz KKXNAWKKPHLGNR-UHFFFAOYSA-N 1 0 400.950 5.002 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034683158 557385771 /nfs/dbraw/zinc/38/57/71/557385771.db2.gz PVPMPGXVTHHGQO-UHFFFAOYSA-N 1 0 412.580 5.130 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034683162 557385839 /nfs/dbraw/zinc/38/58/39/557385839.db2.gz QZGSESVUROQTBZ-UHFFFAOYSA-N 1 0 412.580 5.130 50 0 HKAARO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034683182 557385779 /nfs/dbraw/zinc/38/57/79/557385779.db2.gz NRWGQAKSNJVRBH-UHFFFAOYSA-N 1 0 422.613 5.862 50 0 HKAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683185 557385899 /nfs/dbraw/zinc/38/58/99/557385899.db2.gz OSEPYSPHYHGLGR-UHFFFAOYSA-N 1 0 420.475 5.122 50 0 HKAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683195 557385824 /nfs/dbraw/zinc/38/58/24/557385824.db2.gz KFUATXMAAOYPLY-UHFFFAOYSA-N 1 0 422.466 5.642 50 0 HKAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683218 557386188 /nfs/dbraw/zinc/38/61/88/557386188.db2.gz GRGZQCLWSLIFJE-UHFFFAOYSA-N 1 0 420.475 5.122 50 0 HKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683279 557386236 /nfs/dbraw/zinc/38/62/36/557386236.db2.gz MAPFCPVLWCTQNZ-UHFFFAOYSA-N 1 0 402.538 5.516 50 0 HKAARO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683290 557386213 /nfs/dbraw/zinc/38/62/13/557386213.db2.gz AMXZXAAQXZWXOQ-UHFFFAOYSA-N 1 0 418.606 5.985 50 0 HKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683309 557386095 /nfs/dbraw/zinc/38/60/95/557386095.db2.gz VCRBQACAUBLFKZ-UHFFFAOYSA-N 1 0 404.476 5.421 50 0 HKAARO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683368 557386173 /nfs/dbraw/zinc/38/61/73/557386173.db2.gz LAVQDLYKFWCGOH-UHFFFAOYSA-N 1 0 412.577 5.923 50 0 HKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000034683385 557386068 /nfs/dbraw/zinc/38/60/68/557386068.db2.gz LNGMOSYAAKZVTD-UHFFFAOYSA-N 1 0 417.528 5.095 50 0 HKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683386 557386246 /nfs/dbraw/zinc/38/62/46/557386246.db2.gz NUKWMGXVCWQFKT-UHFFFAOYSA-N 1 0 406.501 5.293 50 0 HKAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683425 557386631 /nfs/dbraw/zinc/38/66/31/557386631.db2.gz HBERSHQNZCSUKW-UHFFFAOYSA-N 1 0 418.537 5.216 50 0 HKAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683454 557386575 /nfs/dbraw/zinc/38/65/75/557386575.db2.gz JQKIYRMIIFSBEB-UHFFFAOYSA-N 1 0 420.475 5.122 50 0 HKAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683523 557386538 /nfs/dbraw/zinc/38/65/38/557386538.db2.gz FSVLGXHAQJTDFT-UHFFFAOYSA-N 1 0 422.466 5.498 50 0 HKAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683548 557386602 /nfs/dbraw/zinc/38/66/02/557386602.db2.gz GJBIZLGZKONMQH-UHFFFAOYSA-N 1 0 408.439 5.252 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1C ZINC000034683559 557386604 /nfs/dbraw/zinc/38/66/04/557386604.db2.gz VBJYSGLTMLCPKW-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683589 557387030 /nfs/dbraw/zinc/38/70/30/557387030.db2.gz VDILXYYDPYVBNZ-UHFFFAOYSA-N 1 0 412.892 5.384 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccc(C)c(F)c3)CC2)cc1C ZINC000034683623 557386785 /nfs/dbraw/zinc/38/67/85/557386785.db2.gz VQMGOOBKQJADQZ-UHFFFAOYSA-N 1 0 420.528 5.655 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000034683647 557386815 /nfs/dbraw/zinc/38/68/15/557386815.db2.gz PJVRTAIFXQJKMB-UHFFFAOYSA-N 1 0 406.501 5.347 50 0 HKAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697798 557380653 /nfs/dbraw/zinc/38/06/53/557380653.db2.gz SVAINLIAKBFDKU-DHLKQENFSA-N 1 0 408.561 5.254 50 0 HKAARO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697799 557380769 /nfs/dbraw/zinc/38/07/69/557380769.db2.gz SVAINLIAKBFDKU-WIOPSUGQSA-N 1 0 408.561 5.254 50 0 HKAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697800 557380786 /nfs/dbraw/zinc/38/07/86/557380786.db2.gz SVAINLIAKBFDKU-RDGATRHJSA-N 1 0 408.561 5.254 50 0 HKAARO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697801 557380774 /nfs/dbraw/zinc/38/07/74/557380774.db2.gz SVAINLIAKBFDKU-RCZVLFRGSA-N 1 0 408.561 5.254 50 0 HKAARO Cc1ccc(C(=O)N2C[C@H](C[N@@H+](C)C3CCCCC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000034697818 557380714 /nfs/dbraw/zinc/38/07/14/557380714.db2.gz DKXILFKQUWQFGT-AHWVRZQESA-N 1 0 404.598 5.424 50 0 HKAARO Cc1ccc(C(=O)N2C[C@H](C[N@@H+](C)C3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697819 557380661 /nfs/dbraw/zinc/38/06/61/557380661.db2.gz DKXILFKQUWQFGT-AZGAKELHSA-N 1 0 404.598 5.424 50 0 HKAARO Cc1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](C[N@@H+](C)C3CCCCC3)C2)cc1 ZINC000034697820 557380742 /nfs/dbraw/zinc/38/07/42/557380742.db2.gz DKXILFKQUWQFGT-RSXGOPAZSA-N 1 0 404.598 5.424 50 0 HKAARO Cc1ccc(C(=O)N2C[C@@H](C[N@@H+](C)C3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697821 557380721 /nfs/dbraw/zinc/38/07/21/557380721.db2.gz DKXILFKQUWQFGT-AOYPEHQESA-N 1 0 404.598 5.424 50 0 HKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697975 557380696 /nfs/dbraw/zinc/38/06/96/557380696.db2.gz GPIHMSDFCIPLMQ-HKUYNNGSSA-N 1 0 422.516 5.109 50 0 HKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697976 557380762 /nfs/dbraw/zinc/38/07/62/557380762.db2.gz GPIHMSDFCIPLMQ-PKOBYXMFSA-N 1 0 422.516 5.109 50 0 HKAARO O=C(c1cccs1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034697977 557380749 /nfs/dbraw/zinc/38/07/49/557380749.db2.gz GPIHMSDFCIPLMQ-MJGOQNOKSA-N 1 0 422.516 5.109 50 0 HKAARO O=C(c1cccs1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697978 557380738 /nfs/dbraw/zinc/38/07/38/557380738.db2.gz GPIHMSDFCIPLMQ-IEBWSBKVSA-N 1 0 422.516 5.109 50 0 HKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698703 557381052 /nfs/dbraw/zinc/38/10/52/557381052.db2.gz CRIVRBIAIWPBOR-UKILVPOCSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](CC(C)C)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698704 557381045 /nfs/dbraw/zinc/38/10/45/557381045.db2.gz CRIVRBIAIWPBOR-ILBGXUMGSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccccc1[C@@H]1C[N@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698740 569000541 /nfs/dbraw/zinc/00/05/41/569000541.db2.gz IVARIUQLHPJFMW-RCZVLFRGSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccccc1[C@H]1C[N@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698741 569000470 /nfs/dbraw/zinc/00/04/70/569000470.db2.gz IVARIUQLHPJFMW-RDGATRHJSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698806 571316418 /nfs/dbraw/zinc/31/64/18/571316418.db2.gz VBFKWXPKINHAET-ZEQKJWHPSA-N 1 0 415.581 5.090 50 0 HKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698807 571316382 /nfs/dbraw/zinc/31/63/82/571316382.db2.gz VBFKWXPKINHAET-BVAGGSTKSA-N 1 0 415.581 5.090 50 0 HKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711230 557390480 /nfs/dbraw/zinc/39/04/80/557390480.db2.gz SDAAIBGKOZJNGG-RPWUZVMVSA-N 1 0 414.549 5.248 50 0 HKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711231 557390330 /nfs/dbraw/zinc/39/03/30/557390330.db2.gz SDAAIBGKOZJNGG-ZEQRLZLVSA-N 1 0 414.549 5.248 50 0 HKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711232 557390546 /nfs/dbraw/zinc/39/05/46/557390546.db2.gz SDAAIBGKOZJNGG-DNQXCXABSA-N 1 0 414.549 5.248 50 0 HKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711233 557390510 /nfs/dbraw/zinc/39/05/10/557390510.db2.gz SDAAIBGKOZJNGG-BJKOFHAPSA-N 1 0 414.549 5.248 50 0 HKAARO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711234 557390817 /nfs/dbraw/zinc/39/08/17/557390817.db2.gz XCHJUJCJWWCKQH-FDJWOJMMSA-N 1 0 412.577 5.478 50 0 HKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711236 557390755 /nfs/dbraw/zinc/39/07/55/557390755.db2.gz XCHJUJCJWWCKQH-ZDJNHPEVSA-N 1 0 412.577 5.478 50 0 HKAARO Cc1cccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711254 558783207 /nfs/dbraw/zinc/78/32/07/558783207.db2.gz PYQRRUDGNLTDAI-PKTZIBPZSA-N 1 0 402.513 5.379 50 0 HKAARO Cc1cccc([C@H]2C[C@H](C(=O)Nc3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711255 558783310 /nfs/dbraw/zinc/78/33/10/558783310.db2.gz PYQRRUDGNLTDAI-GOTSBHOMSA-N 1 0 402.513 5.379 50 0 HKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711256 558783282 /nfs/dbraw/zinc/78/32/82/558783282.db2.gz PYQRRUDGNLTDAI-DHIUTWEWSA-N 1 0 402.513 5.379 50 0 HKAARO Cc1cccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711257 558783261 /nfs/dbraw/zinc/78/32/61/558783261.db2.gz PYQRRUDGNLTDAI-XZOQPEGZSA-N 1 0 402.513 5.379 50 0 HKAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711466 557390774 /nfs/dbraw/zinc/39/07/74/557390774.db2.gz ZCBSTHVXKPLXNN-RPBOFIJWSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711467 557390799 /nfs/dbraw/zinc/39/07/99/557390799.db2.gz ZCBSTHVXKPLXNN-DQEYMECFSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711468 557390763 /nfs/dbraw/zinc/39/07/63/557390763.db2.gz ZCBSTHVXKPLXNN-JWQCQUIFSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711469 557390869 /nfs/dbraw/zinc/39/08/69/557390869.db2.gz ZCBSTHVXKPLXNN-LOSJGSFVSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711470 557390875 /nfs/dbraw/zinc/39/08/75/557390875.db2.gz PDYKMZLHNFULLT-RPBOFIJWSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711471 557390842 /nfs/dbraw/zinc/39/08/42/557390842.db2.gz PDYKMZLHNFULLT-DQEYMECFSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711472 557390885 /nfs/dbraw/zinc/39/08/85/557390885.db2.gz PDYKMZLHNFULLT-JWQCQUIFSA-N 1 0 416.540 5.056 50 0 HKAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711473 557390864 /nfs/dbraw/zinc/39/08/64/557390864.db2.gz PDYKMZLHNFULLT-LOSJGSFVSA-N 1 0 416.540 5.056 50 0 HKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716679 558783294 /nfs/dbraw/zinc/78/32/94/558783294.db2.gz SDXUVDJSRWGKQT-DZFGPLHGSA-N 1 0 416.968 5.308 50 0 HKAARO CC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716681 558783421 /nfs/dbraw/zinc/78/34/21/558783421.db2.gz SDXUVDJSRWGKQT-YYWHXJBOSA-N 1 0 416.968 5.308 50 0 HKAARO Fc1ccccc1CN1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723306 569000795 /nfs/dbraw/zinc/00/07/95/569000795.db2.gz KJEYEWZPJZUUEN-UNMCSNQZSA-N 1 0 420.494 5.546 50 0 HKAARO Fc1ccccc1CN1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034723308 557425838 /nfs/dbraw/zinc/42/58/38/557425838.db2.gz KJEYEWZPJZUUEN-IRLDBZIGSA-N 1 0 420.494 5.546 50 0 HKAARO Fc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034723336 557425939 /nfs/dbraw/zinc/42/59/39/557425939.db2.gz HMSBSIHKMUYPFY-REWPJTCUSA-N 1 0 420.494 5.546 50 0 HKAARO Fc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000034723338 557425901 /nfs/dbraw/zinc/42/59/01/557425901.db2.gz HMSBSIHKMUYPFY-OFNKIYASSA-N 1 0 420.494 5.546 50 0 HKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000034726083 557442720 /nfs/dbraw/zinc/44/27/20/557442720.db2.gz BROVUDYWXCFEQT-UHFFFAOYSA-N 1 0 419.594 5.070 50 0 HKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000034726096 557442711 /nfs/dbraw/zinc/44/27/11/557442711.db2.gz JFBCUARLXIJPLZ-UHFFFAOYSA-N 1 0 419.594 5.070 50 0 HKAARO Cc1ccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034726109 557442673 /nfs/dbraw/zinc/44/26/73/557442673.db2.gz XFMFWADIBFNYCK-UHFFFAOYSA-N 1 0 419.594 5.070 50 0 HKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccccc2F)c2ccccc2)CC1 ZINC000034727073 557442930 /nfs/dbraw/zinc/44/29/30/557442930.db2.gz JFUPAVGXSCLMSF-DEOSSOPVSA-N 1 0 420.528 5.167 50 0 HKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccccc2F)c2ccccc2)CC1 ZINC000034727076 557443017 /nfs/dbraw/zinc/44/30/17/557443017.db2.gz JFUPAVGXSCLMSF-XMMPIXPASA-N 1 0 420.528 5.167 50 0 HKAARO Fc1ccc(O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c(Cl)c1 ZINC000034727225 557442920 /nfs/dbraw/zinc/44/29/20/557442920.db2.gz RMXDGSCQFJLUFQ-XMMPIXPASA-N 1 0 424.947 5.812 50 0 HKAARO Fc1ccc(O[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c(Cl)c1 ZINC000034727229 132797123 /nfs/dbraw/zinc/79/71/23/132797123.db2.gz RMXDGSCQFJLUFQ-DEOSSOPVSA-N 1 0 424.947 5.812 50 0 HKAARO COc1ccc([C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)cc1 ZINC000034727458 557442944 /nfs/dbraw/zinc/44/29/44/557442944.db2.gz TUILKBTVTOUXOZ-AREMUKBSSA-N 1 0 420.528 5.167 50 0 HKAARO COc1ccc([C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)cc1 ZINC000034727461 557442975 /nfs/dbraw/zinc/44/29/75/557442975.db2.gz TUILKBTVTOUXOZ-SANMLTNESA-N 1 0 420.528 5.167 50 0 HKAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000034729924 557432799 /nfs/dbraw/zinc/43/27/99/557432799.db2.gz NBGAUIHRJRNMEZ-UHFFFAOYSA-N 1 0 423.576 5.219 50 0 HKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034729997 557432758 /nfs/dbraw/zinc/43/27/58/557432758.db2.gz YOSVXVZRBWLBQR-UHFFFAOYSA-N 1 0 423.576 5.219 50 0 HKAARO Cc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCC3CCCCC3)CC2)oc1C ZINC000034730003 557432845 /nfs/dbraw/zinc/43/28/45/557432845.db2.gz SDZDDTDYIXYFAC-UHFFFAOYSA-N 1 0 423.601 5.290 50 0 HKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000034730093 557433080 /nfs/dbraw/zinc/43/30/80/557433080.db2.gz HVKHQVPLCHGROZ-UHFFFAOYSA-N 1 0 419.613 5.388 50 0 HKAARO Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730200 557433093 /nfs/dbraw/zinc/43/30/93/557433093.db2.gz UBNVBWVYYRZBHH-UHFFFAOYSA-N 1 0 423.576 5.313 50 0 HKAARO O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739886 571316583 /nfs/dbraw/zinc/31/65/83/571316583.db2.gz GIAOIYZPSRAQEV-ILBGXUMGSA-N 1 0 418.968 5.610 50 0 HKAARO O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739887 571316564 /nfs/dbraw/zinc/31/65/64/571316564.db2.gz GIAOIYZPSRAQEV-UKILVPOCSA-N 1 0 418.968 5.610 50 0 HKAARO O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739888 571316536 /nfs/dbraw/zinc/31/65/36/571316536.db2.gz GIAOIYZPSRAQEV-NOZRDPDXSA-N 1 0 418.968 5.610 50 0 HKAARO O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739889 571316540 /nfs/dbraw/zinc/31/65/40/571316540.db2.gz GIAOIYZPSRAQEV-ZCYQVOJMSA-N 1 0 418.968 5.610 50 0 HKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)ccc1F ZINC000034740086 557443466 /nfs/dbraw/zinc/44/34/66/557443466.db2.gz XVKFUJVGVZIVKF-SANMLTNESA-N 1 0 404.529 5.467 50 0 HKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)ccc1F ZINC000034740087 557443434 /nfs/dbraw/zinc/44/34/34/557443434.db2.gz XVKFUJVGVZIVKF-AREMUKBSSA-N 1 0 404.529 5.467 50 0 HKAARO CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740674 557444005 /nfs/dbraw/zinc/44/40/05/557444005.db2.gz WFRIRJWMWLELPG-JYFHCDHNSA-N 1 0 421.629 5.058 50 0 HKAARO CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740675 557444132 /nfs/dbraw/zinc/44/41/32/557444132.db2.gz WFRIRJWMWLELPG-ZEQKJWHPSA-N 1 0 421.629 5.058 50 0 HKAARO Cc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)c1 ZINC000034740700 557444493 /nfs/dbraw/zinc/44/44/93/557444493.db2.gz FPIMFSDWJNQFPX-RSXGOPAZSA-N 1 0 424.604 5.490 50 0 HKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000034740701 557444398 /nfs/dbraw/zinc/44/43/98/557444398.db2.gz FPIMFSDWJNQFPX-AHWVRZQESA-N 1 0 424.604 5.490 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740732 557444379 /nfs/dbraw/zinc/44/43/79/557444379.db2.gz JSYTXLVNJYCVFL-IAPPQJPRSA-N 1 0 418.625 5.700 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740733 557444487 /nfs/dbraw/zinc/44/44/87/557444487.db2.gz JSYTXLVNJYCVFL-XCZPVHLTSA-N 1 0 418.625 5.700 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740742 557444446 /nfs/dbraw/zinc/44/44/46/557444446.db2.gz ARIVBRWTBFOYTK-RDGATRHJSA-N 1 0 410.627 5.453 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740743 557444500 /nfs/dbraw/zinc/44/45/00/557444500.db2.gz ARIVBRWTBFOYTK-RCZVLFRGSA-N 1 0 410.627 5.453 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740744 557444496 /nfs/dbraw/zinc/44/44/96/557444496.db2.gz MPLTXDWSYRTIGS-NOZRDPDXSA-N 1 0 424.654 5.762 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740745 557444439 /nfs/dbraw/zinc/44/44/39/557444439.db2.gz MPLTXDWSYRTIGS-ILBGXUMGSA-N 1 0 424.654 5.762 50 0 HKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@@H](CN(C(=O)C(C)C)C(C)C)C1 ZINC000034740819 557444476 /nfs/dbraw/zinc/44/44/76/557444476.db2.gz FJUYEKXVHUDJIX-IRLDBZIGSA-N 1 0 416.606 5.304 50 0 HKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@H](c2cccc(F)c2)C1 ZINC000034740820 557444480 /nfs/dbraw/zinc/44/44/80/557444480.db2.gz FJUYEKXVHUDJIX-UNMCSNQZSA-N 1 0 416.606 5.304 50 0 HKAARO Cc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2C[N@H+](CC(C)C)CC3)cc1 ZINC000034755690 557458472 /nfs/dbraw/zinc/45/84/72/557458472.db2.gz HUWUGPUBTNWUBL-UHFFFAOYSA-N 1 0 416.569 5.228 50 0 HKAARO COc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2Cc1ccccc1 ZINC000034847985 558784808 /nfs/dbraw/zinc/78/48/08/558784808.db2.gz ZEARLYMEIRQJCX-UHFFFAOYSA-N 1 0 424.544 5.248 50 0 HKAARO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000034867952 558785965 /nfs/dbraw/zinc/78/59/65/558785965.db2.gz KRKDELWOURNERO-UAOJZALGSA-N 1 0 424.894 6.207 50 0 HKAARO C[C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000034867956 558785919 /nfs/dbraw/zinc/78/59/19/558785919.db2.gz KRKDELWOURNERO-XMCHAPAWSA-N 1 0 424.894 6.207 50 0 HKAARO COc1cc(NCCC[NH3+])c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000034894335 558787036 /nfs/dbraw/zinc/78/70/36/558787036.db2.gz PPRRJSWOEFBRDQ-UHFFFAOYSA-N 1 0 405.420 5.124 50 0 in-vivo HKAARO COc1ccccc1-c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000034899326 557481005 /nfs/dbraw/zinc/48/10/05/557481005.db2.gz BUVNTGRMEQPGFW-SIKLNZKXSA-N 1 0 418.606 6.498 50 0 HKAARO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326254 569032859 /nfs/dbraw/zinc/03/28/59/569032859.db2.gz GMZGSFXWGBIZMI-HOCLYGCPSA-N 1 0 408.502 5.426 50 0 HKAARO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326260 569032853 /nfs/dbraw/zinc/03/28/53/569032853.db2.gz GMZGSFXWGBIZMI-ZBFHGGJFSA-N 1 0 408.502 5.426 50 0 HKAARO CC[NH+](CC)CCCn1c(=O)c2sc3nc(C)cc(C)c3c2nc1-c1ccccc1 ZINC000035326866 569032894 /nfs/dbraw/zinc/03/28/94/569032894.db2.gz RLDZKVNDLCXHPJ-UHFFFAOYSA-N 1 0 420.582 5.022 50 0 HKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476072 569038297 /nfs/dbraw/zinc/03/82/97/569038297.db2.gz ZPKBXNWWLCNWOH-UHFFFAOYSA-N 1 0 410.606 5.587 50 0 HKAARO C[N@H+](CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1)C1CCCCC1 ZINC000035503292 571316920 /nfs/dbraw/zinc/31/69/20/571316920.db2.gz MVLDNVKDDCEGLX-UHFFFAOYSA-N 1 0 424.520 5.095 50 0 HKAARO CCCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000035509826 569041788 /nfs/dbraw/zinc/04/17/88/569041788.db2.gz QCOWRGINRCXDGI-UHFFFAOYSA-N 1 0 412.603 5.029 50 0 HKAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511271 558793095 /nfs/dbraw/zinc/79/30/95/558793095.db2.gz IKHYUIDPXUGYSD-SFHVURJKSA-N 1 0 415.335 5.288 50 0 HKAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511272 558793138 /nfs/dbraw/zinc/79/31/38/558793138.db2.gz IKHYUIDPXUGYSD-GOSISDBHSA-N 1 0 415.335 5.288 50 0 HKAARO O=C(Nc1sc2scc(-c3ccccc3)[n+]2c1-c1ccccc1)c1ccccc1 ZINC000035681844 569049000 /nfs/dbraw/zinc/04/90/00/569049000.db2.gz XDDNTMZKQPKGQG-UHFFFAOYSA-O 1 0 413.547 6.135 50 0 HKAARO COc1cccc([C@@H]2C[NH2+][C@@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729890 569053681 /nfs/dbraw/zinc/05/36/81/569053681.db2.gz WKSPXDADRMWNJM-CCLHPLFOSA-N 1 0 410.517 5.110 50 0 HKAARO COc1cccc([C@H]2C[NH2+][C@@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729892 569053654 /nfs/dbraw/zinc/05/36/54/569053654.db2.gz WKSPXDADRMWNJM-NFQMXDRXSA-N 1 0 410.517 5.110 50 0 HKAARO COc1cccc([C@@H]2C[NH2+][C@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729894 569053611 /nfs/dbraw/zinc/05/36/11/569053611.db2.gz WKSPXDADRMWNJM-DCFHFQCYSA-N 1 0 410.517 5.110 50 0 HKAARO COc1cccc([C@H]2C[NH2+][C@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729895 569053623 /nfs/dbraw/zinc/05/36/23/569053623.db2.gz WKSPXDADRMWNJM-HRFSGMKKSA-N 1 0 410.517 5.110 50 0 HKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000035840621 569062301 /nfs/dbraw/zinc/06/23/01/569062301.db2.gz AEUHDFZCSNDVAS-RUZDIDTESA-N 1 0 408.561 5.127 50 0 HKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000035840623 569062274 /nfs/dbraw/zinc/06/22/74/569062274.db2.gz AEUHDFZCSNDVAS-VWLOTQADSA-N 1 0 408.561 5.127 50 0 HKAARO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000035840763 569062290 /nfs/dbraw/zinc/06/22/90/569062290.db2.gz SDGMQASAIFLLKD-SANMLTNESA-N 1 0 420.597 5.133 50 0 HKAARO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000035840765 569062325 /nfs/dbraw/zinc/06/23/25/569062325.db2.gz SDGMQASAIFLLKD-AREMUKBSSA-N 1 0 420.597 5.133 50 0 HKAARO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)C[C@H](O)Cc1ccccc1 ZINC000035840771 569062336 /nfs/dbraw/zinc/06/23/36/569062336.db2.gz DEKKIIFJFXPDDR-HHHXNRCGSA-N 1 0 404.598 5.297 50 0 HKAARO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000035840773 569062321 /nfs/dbraw/zinc/06/23/21/569062321.db2.gz DEKKIIFJFXPDDR-MHZLTWQESA-N 1 0 404.598 5.297 50 0 HKAARO COC(=O)c1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000035840974 569062316 /nfs/dbraw/zinc/06/23/16/569062316.db2.gz WFEUGWPSCWPWQT-UHFFFAOYSA-N 1 0 404.554 5.371 50 0 HKAARO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)c1 ZINC000035840982 569062387 /nfs/dbraw/zinc/06/23/87/569062387.db2.gz NHZUQDUOISDZGE-UHFFFAOYSA-N 1 0 402.582 6.128 50 0 HKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000035840994 569062304 /nfs/dbraw/zinc/06/23/04/569062304.db2.gz DJIASDNFAKBLAK-UHFFFAOYSA-N 1 0 406.545 6.019 50 0 HKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1F)CC1CCCCC1 ZINC000035841059 569062293 /nfs/dbraw/zinc/06/22/93/569062293.db2.gz AIPRYVNBKFECMV-UHFFFAOYSA-N 1 0 404.573 6.566 50 0 HKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000035841064 569062353 /nfs/dbraw/zinc/06/23/53/569062353.db2.gz UHDCBBKXSQPSRE-HXUWFJFHSA-N 1 0 414.515 6.602 50 0 HKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000035841066 569062313 /nfs/dbraw/zinc/06/23/13/569062313.db2.gz UHDCBBKXSQPSRE-FQEVSTJZSA-N 1 0 414.515 6.602 50 0 HKAARO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841083 569062310 /nfs/dbraw/zinc/06/23/10/569062310.db2.gz XSSODQAYNCPTKI-UHFFFAOYSA-N 1 0 416.609 6.436 50 0 HKAARO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841091 569062278 /nfs/dbraw/zinc/06/22/78/569062278.db2.gz ICLMPQXTBWNQNC-UHFFFAOYSA-N 1 0 400.610 6.736 50 0 HKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2ccccc2C)C2CCCCC2)c1 ZINC000035841098 569062380 /nfs/dbraw/zinc/06/23/80/569062380.db2.gz RQRRHVSFGFEIJS-UHFFFAOYSA-N 1 0 402.582 6.188 50 0 HKAARO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841114 569062374 /nfs/dbraw/zinc/06/23/74/569062374.db2.gz IMOGNNZIYNXLED-UHFFFAOYSA-N 1 0 416.609 6.436 50 0 HKAARO COc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2cccc(OC)c2)c1 ZINC000035841125 569062368 /nfs/dbraw/zinc/06/23/68/569062368.db2.gz SEOIIIGBJXGGFB-UHFFFAOYSA-N 1 0 406.570 5.602 50 0 HKAARO COc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841142 569062359 /nfs/dbraw/zinc/06/23/59/569062359.db2.gz BXOZRCBTLHSUIZ-UHFFFAOYSA-N 1 0 416.609 6.436 50 0 HKAARO COc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(F)c2)CC2CCCCC2)c1 ZINC000035841146 569062349 /nfs/dbraw/zinc/06/23/49/569062349.db2.gz IMWTUUSOSYTPDD-UHFFFAOYSA-N 1 0 420.572 6.267 50 0 HKAARO CC(C)C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841151 569062307 /nfs/dbraw/zinc/06/23/07/569062307.db2.gz CFUBUECJKPOQCS-UHFFFAOYSA-N 1 0 418.478 6.353 50 0 HKAARO COCC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841186 569062371 /nfs/dbraw/zinc/06/23/71/569062371.db2.gz SPZFOFXRGXHFKG-UHFFFAOYSA-N 1 0 416.487 5.512 50 0 HKAARO CC(C)CC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841194 569062384 /nfs/dbraw/zinc/06/23/84/569062384.db2.gz GOAQRKGSOONANL-UHFFFAOYSA-N 1 0 414.515 6.604 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843609 569062401 /nfs/dbraw/zinc/06/24/01/569062401.db2.gz VLHXEZBLIWEBAL-HSZRJFAPSA-N 1 0 400.563 5.010 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843610 569062483 /nfs/dbraw/zinc/06/24/83/569062483.db2.gz VLHXEZBLIWEBAL-QHCPKHFHSA-N 1 0 400.563 5.010 50 0 HKAARO Cc1ccc(C)c(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843702 569062440 /nfs/dbraw/zinc/06/24/40/569062440.db2.gz QNGVOPFZLVEAFI-XMMPIXPASA-N 1 0 414.590 5.175 50 0 HKAARO Cc1ccc(C)c(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843703 569062437 /nfs/dbraw/zinc/06/24/37/569062437.db2.gz QNGVOPFZLVEAFI-DEOSSOPVSA-N 1 0 414.590 5.175 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843708 569062451 /nfs/dbraw/zinc/06/24/51/569062451.db2.gz OKVHMRDWNGGPKH-XMMPIXPASA-N 1 0 414.590 5.319 50 0 HKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843709 569062395 /nfs/dbraw/zinc/06/23/95/569062395.db2.gz OKVHMRDWNGGPKH-DEOSSOPVSA-N 1 0 414.590 5.319 50 0 HKAARO Fc1ccc(Cn2cccc2C[N@H+](Cc2cccc(Cl)c2)C2CCCCC2)cc1 ZINC000035843734 569062448 /nfs/dbraw/zinc/06/24/48/569062448.db2.gz XXQOCBSLHARCGR-UHFFFAOYSA-N 1 0 410.964 6.664 50 0 HKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843741 569062494 /nfs/dbraw/zinc/06/24/94/569062494.db2.gz WZDOUMAQJCYZAB-UHFFFAOYSA-N 1 0 400.925 5.368 50 0 HKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843742 569062472 /nfs/dbraw/zinc/06/24/72/569062472.db2.gz RSTBKSFLKIAVKN-UHFFFAOYSA-N 1 0 422.588 6.012 50 0 HKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843755 569062487 /nfs/dbraw/zinc/06/24/87/569062487.db2.gz VQAMRHQOXYWQNT-UHFFFAOYSA-N 1 0 418.478 6.353 50 0 HKAARO COCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843758 569062454 /nfs/dbraw/zinc/06/24/54/569062454.db2.gz QCOGWCCIBHQWHV-UHFFFAOYSA-N 1 0 408.561 5.622 50 0 HKAARO COCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843759 569062433 /nfs/dbraw/zinc/06/24/33/569062433.db2.gz NHBPSLKMEWZUGY-UHFFFAOYSA-N 1 0 420.450 5.343 50 0 HKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843771 569062466 /nfs/dbraw/zinc/06/24/66/569062466.db2.gz RVQJEXUGQJGCBM-GOSISDBHSA-N 1 0 400.488 6.000 50 0 HKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843772 569062479 /nfs/dbraw/zinc/06/24/79/569062479.db2.gz RVQJEXUGQJGCBM-SFHVURJKSA-N 1 0 400.488 6.000 50 0 HKAARO COC(=O)c1ccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)[C@H](C)C(C)C)cc1 ZINC000035843775 569062545 /nfs/dbraw/zinc/06/25/45/569062545.db2.gz RGIYNLNTFNCNBX-HXUWFJFHSA-N 1 0 422.544 5.509 50 0 HKAARO COC(=O)c1ccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)[C@@H](C)C(C)C)cc1 ZINC000035843776 569062512 /nfs/dbraw/zinc/06/25/12/569062512.db2.gz RGIYNLNTFNCNBX-FQEVSTJZSA-N 1 0 422.544 5.509 50 0 HKAARO Fc1ccc(Cn2cccc2C[N@@H+](Cc2ccccc2Cl)CC2CCCCC2)cc1 ZINC000035843781 569062516 /nfs/dbraw/zinc/06/25/16/569062516.db2.gz BJWXAOYNTCOXQJ-UHFFFAOYSA-N 1 0 424.991 6.911 50 0 HKAARO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1 ZINC000035844744 569062499 /nfs/dbraw/zinc/06/24/99/569062499.db2.gz MNYZGJHBRPDNLV-UHFFFAOYSA-N 1 0 418.581 5.462 50 0 HKAARO CC[C@@H](C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4)CC2)n1)CCCC3 ZINC000035892712 569065066 /nfs/dbraw/zinc/06/50/66/569065066.db2.gz SWNISLZBKYPFIB-GOSISDBHSA-N 1 0 420.626 5.406 50 0 HKAARO CC[C@H](C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4)CC2)n1)CCCC3 ZINC000035892714 569065072 /nfs/dbraw/zinc/06/50/72/569065072.db2.gz SWNISLZBKYPFIB-SFHVURJKSA-N 1 0 420.626 5.406 50 0 HKAARO CCCCc1nc2sc3c(c2c(N2CCC([NH+]4CCCCC4)CC2)n1)CCCC3 ZINC000035892771 569065074 /nfs/dbraw/zinc/06/50/74/569065074.db2.gz VSEPGXLGZFNZHT-UHFFFAOYSA-N 1 0 412.647 5.367 50 0 HKAARO c1ccc(C[NH+]2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892940 569065090 /nfs/dbraw/zinc/06/50/90/569065090.db2.gz YQZGAHBMZGEDKK-UHFFFAOYSA-N 1 0 418.610 5.160 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3c[nH]c4ccccc34)CCC[C@@]21C ZINC000035999451 569074882 /nfs/dbraw/zinc/07/48/82/569074882.db2.gz WAWPYSHDONJSJL-ULNSLHSMSA-N 1 0 414.637 7.091 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031448 569081005 /nfs/dbraw/zinc/08/10/05/569081005.db2.gz VTGLODBTTAMTCN-FQEVSTJZSA-N 1 0 419.949 5.291 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031450 569081020 /nfs/dbraw/zinc/08/10/20/569081020.db2.gz VTGLODBTTAMTCN-HXUWFJFHSA-N 1 0 419.949 5.291 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031457 569081073 /nfs/dbraw/zinc/08/10/73/569081073.db2.gz ZMCMNITUQGBQPW-QHCPKHFHSA-N 1 0 413.920 5.230 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031459 569081109 /nfs/dbraw/zinc/08/11/09/569081109.db2.gz ZMCMNITUQGBQPW-HSZRJFAPSA-N 1 0 413.920 5.230 50 0 HKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)c1 ZINC000036031959 569081170 /nfs/dbraw/zinc/08/11/70/569081170.db2.gz YFYYGRAITBGETG-VWLOTQADSA-N 1 0 407.529 5.193 50 0 HKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)c1 ZINC000036031962 569081134 /nfs/dbraw/zinc/08/11/34/569081134.db2.gz YFYYGRAITBGETG-RUZDIDTESA-N 1 0 407.529 5.193 50 0 HKAARO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036056945 569084542 /nfs/dbraw/zinc/08/45/42/569084542.db2.gz LPNFTHYQNAWEIM-SIKLNZKXSA-N 1 0 412.574 5.112 50 0 HKAARO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036056946 569084531 /nfs/dbraw/zinc/08/45/31/569084531.db2.gz LPNFTHYQNAWEIM-DENIHFKCSA-N 1 0 412.574 5.112 50 0 HKAARO Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000036056947 569084555 /nfs/dbraw/zinc/08/45/55/569084555.db2.gz USTZOLMUDCRMRV-NZQKXSOJSA-N 1 0 408.611 5.912 50 0 HKAARO Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000036056948 569084524 /nfs/dbraw/zinc/08/45/24/569084524.db2.gz USTZOLMUDCRMRV-NFBKMPQASA-N 1 0 408.611 5.912 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098982 569090974 /nfs/dbraw/zinc/09/09/74/569090974.db2.gz ZUXPGQHKENTAET-SANMLTNESA-N 1 0 407.529 5.022 50 0 HKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098984 569091021 /nfs/dbraw/zinc/09/10/21/569091021.db2.gz ZUXPGQHKENTAET-AREMUKBSSA-N 1 0 407.529 5.022 50 0 HKAARO O[C@H](COc1ccc(Cl)cc1)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102617 569092108 /nfs/dbraw/zinc/09/21/08/569092108.db2.gz KTSTXZAASGPFKN-QFIPXVFZSA-N 1 0 417.883 5.060 50 0 HKAARO O[C@@H](COc1ccc(Cl)cc1)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102619 569092216 /nfs/dbraw/zinc/09/22/16/569092216.db2.gz KTSTXZAASGPFKN-JOCHJYFZSA-N 1 0 417.883 5.060 50 0 HKAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2cc1OC ZINC000036102752 569092200 /nfs/dbraw/zinc/09/22/00/569092200.db2.gz RZQSPPPSUWTWFY-UHFFFAOYSA-N 1 0 404.510 5.172 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000036126889 569052320 /nfs/dbraw/zinc/05/23/20/569052320.db2.gz KWVISVAMQJWJSZ-CAKNJAFZSA-N 1 0 413.646 5.287 50 0 in-vitro HKAARO O[C@@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000036145882 558797967 /nfs/dbraw/zinc/79/79/67/558797967.db2.gz XOZTZVWOEUGXCB-ZCYQVOJMSA-N 1 0 420.940 5.069 50 0 HKAARO O[C@@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000036145883 558798110 /nfs/dbraw/zinc/79/81/10/558798110.db2.gz XOZTZVWOEUGXCB-NOZRDPDXSA-N 1 0 420.940 5.069 50 0 HKAARO CC(C)[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036154628 569100956 /nfs/dbraw/zinc/10/09/56/569100956.db2.gz YLYOUDFVFIOMBI-UHFFFAOYSA-N 1 0 417.574 6.036 50 0 HKAARO CCC[N@H+](Cc1ccc(C(O)(CCC)CCC)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156215 569101312 /nfs/dbraw/zinc/10/13/12/569101312.db2.gz PSIOTGTWJCOJBY-UHFFFAOYSA-N 1 0 403.563 5.497 50 0 HKAARO C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2[NH2+]C2CCCCCCCCCCC2)[C@@H]1C ZINC000036162569 569103015 /nfs/dbraw/zinc/10/30/15/569103015.db2.gz YKSIZWWEVLYGSR-SZUBIPLGSA-N 1 0 424.673 7.229 50 0 HKAARO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2cccc(OC)c2OC)CC(C)C)o1 ZINC000036202334 569109466 /nfs/dbraw/zinc/10/94/66/569109466.db2.gz SZRSNIKODOUAJQ-UHFFFAOYSA-N 1 0 417.590 5.743 50 0 HKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036202804 569109432 /nfs/dbraw/zinc/10/94/32/569109432.db2.gz YGUXYOSFTZBJJW-UHFFFAOYSA-N 1 0 423.556 6.037 50 0 HKAARO Cc1ccccc1C[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)C1CC1 ZINC000036203273 569109462 /nfs/dbraw/zinc/10/94/62/569109462.db2.gz CRVWVTJWONJBSP-UHFFFAOYSA-N 1 0 423.556 6.037 50 0 HKAARO OC(c1ccc(C[N@H+](Cc2ccccc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036203658 569109636 /nfs/dbraw/zinc/10/96/36/569109636.db2.gz HCCCTQBXTJIAHC-UHFFFAOYSA-N 1 0 421.587 5.851 50 0 HKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304791 569128986 /nfs/dbraw/zinc/12/89/86/569128986.db2.gz KTXYINPAQGEGKM-QHCPKHFHSA-N 1 0 419.569 5.407 50 0 HKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304794 569128959 /nfs/dbraw/zinc/12/89/59/569128959.db2.gz KTXYINPAQGEGKM-HSZRJFAPSA-N 1 0 419.569 5.407 50 0 HKAARO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304806 569128991 /nfs/dbraw/zinc/12/89/91/569128991.db2.gz YJVDZCZNFLBVBA-QFIPXVFZSA-N 1 0 405.542 5.017 50 0 HKAARO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304808 569128969 /nfs/dbraw/zinc/12/89/69/569128969.db2.gz YJVDZCZNFLBVBA-JOCHJYFZSA-N 1 0 405.542 5.017 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036304856 569128951 /nfs/dbraw/zinc/12/89/51/569128951.db2.gz YSZOXCXCPDNZNZ-JOCHJYFZSA-N 1 0 407.558 5.264 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036304859 569128930 /nfs/dbraw/zinc/12/89/30/569128930.db2.gz YSZOXCXCPDNZNZ-QFIPXVFZSA-N 1 0 407.558 5.264 50 0 HKAARO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306393 569129698 /nfs/dbraw/zinc/12/96/98/569129698.db2.gz PEEPSRFFWLZPST-NRFANRHFSA-N 1 0 407.558 5.169 50 0 HKAARO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306395 569129710 /nfs/dbraw/zinc/12/97/10/569129710.db2.gz PEEPSRFFWLZPST-OAQYLSRUSA-N 1 0 407.558 5.169 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036306477 569129830 /nfs/dbraw/zinc/12/98/30/569129830.db2.gz ARROMINMPWWIJH-OAQYLSRUSA-N 1 0 407.558 5.171 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036306480 569129885 /nfs/dbraw/zinc/12/98/85/569129885.db2.gz ARROMINMPWWIJH-NRFANRHFSA-N 1 0 407.558 5.171 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306577 569129383 /nfs/dbraw/zinc/12/93/83/569129383.db2.gz WFYIRXFTMITOEU-QFIPXVFZSA-N 1 0 419.569 5.171 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306579 569129302 /nfs/dbraw/zinc/12/93/02/569129302.db2.gz WFYIRXFTMITOEU-JOCHJYFZSA-N 1 0 419.569 5.171 50 0 HKAARO CCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307096 569129401 /nfs/dbraw/zinc/12/94/01/569129401.db2.gz NZXSAUKIUNICSE-NRFANRHFSA-N 1 0 423.532 5.144 50 0 HKAARO CCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307098 569129283 /nfs/dbraw/zinc/12/92/83/569129283.db2.gz NZXSAUKIUNICSE-OAQYLSRUSA-N 1 0 423.532 5.144 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307317 569129361 /nfs/dbraw/zinc/12/93/61/569129361.db2.gz WVKFBHLFQFDXGF-NRFANRHFSA-N 1 0 423.532 5.001 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307320 569129426 /nfs/dbraw/zinc/12/94/26/569129426.db2.gz WVKFBHLFQFDXGF-OAQYLSRUSA-N 1 0 423.532 5.001 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036307696 569130195 /nfs/dbraw/zinc/13/01/95/569130195.db2.gz KIKXMAABJMNARP-HXUWFJFHSA-N 1 0 411.521 5.001 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036307699 569130283 /nfs/dbraw/zinc/13/02/83/569130283.db2.gz KIKXMAABJMNARP-FQEVSTJZSA-N 1 0 411.521 5.001 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307786 569130225 /nfs/dbraw/zinc/13/02/25/569130225.db2.gz XZVGJQCENUHTKW-NRFANRHFSA-N 1 0 423.532 5.001 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307788 569130231 /nfs/dbraw/zinc/13/02/31/569130231.db2.gz XZVGJQCENUHTKW-OAQYLSRUSA-N 1 0 423.532 5.001 50 0 HKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036308056 569130184 /nfs/dbraw/zinc/13/01/84/569130184.db2.gz NRLYSUKEEQWMLG-DEOSSOPVSA-N 1 0 421.585 5.354 50 0 HKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036308059 569130278 /nfs/dbraw/zinc/13/02/78/569130278.db2.gz NRLYSUKEEQWMLG-XMMPIXPASA-N 1 0 421.585 5.354 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308062 569130238 /nfs/dbraw/zinc/13/02/38/569130238.db2.gz MJYQDULBJQWWLF-NRFANRHFSA-N 1 0 407.558 5.108 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308066 569130188 /nfs/dbraw/zinc/13/01/88/569130188.db2.gz MJYQDULBJQWWLF-OAQYLSRUSA-N 1 0 407.558 5.108 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036308243 569130403 /nfs/dbraw/zinc/13/04/03/569130403.db2.gz JQZYBZJTIKUTTE-QHCPKHFHSA-N 1 0 407.558 5.108 50 0 HKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036308247 569130373 /nfs/dbraw/zinc/13/03/73/569130373.db2.gz JQZYBZJTIKUTTE-HSZRJFAPSA-N 1 0 407.558 5.108 50 0 HKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308515 569130447 /nfs/dbraw/zinc/13/04/47/569130447.db2.gz GRCGHLXSKQHLES-QFIPXVFZSA-N 1 0 407.558 5.346 50 0 HKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308518 569130361 /nfs/dbraw/zinc/13/03/61/569130361.db2.gz GRCGHLXSKQHLES-JOCHJYFZSA-N 1 0 407.558 5.346 50 0 HKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313650 569133759 /nfs/dbraw/zinc/13/37/59/569133759.db2.gz KYCFCOTZEMIJLC-QFIPXVFZSA-N 1 0 421.585 5.641 50 0 HKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313652 569133754 /nfs/dbraw/zinc/13/37/54/569133754.db2.gz KYCFCOTZEMIJLC-JOCHJYFZSA-N 1 0 421.585 5.641 50 0 HKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313653 569133691 /nfs/dbraw/zinc/13/36/91/569133691.db2.gz HATRANIWOKSYSR-QHCPKHFHSA-N 1 0 421.585 5.735 50 0 HKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313654 569133776 /nfs/dbraw/zinc/13/37/76/569133776.db2.gz HATRANIWOKSYSR-HSZRJFAPSA-N 1 0 421.585 5.735 50 0 HKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313841 569133890 /nfs/dbraw/zinc/13/38/90/569133890.db2.gz GXBYZHCWFPBHQS-QFIPXVFZSA-N 1 0 419.569 5.395 50 0 HKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313842 569133817 /nfs/dbraw/zinc/13/38/17/569133817.db2.gz GXBYZHCWFPBHQS-JOCHJYFZSA-N 1 0 419.569 5.395 50 0 HKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313843 569133838 /nfs/dbraw/zinc/13/38/38/569133838.db2.gz LUMRPPYAHWNYSL-QFIPXVFZSA-N 1 0 421.585 5.643 50 0 HKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313844 569133800 /nfs/dbraw/zinc/13/38/00/569133800.db2.gz LUMRPPYAHWNYSL-JOCHJYFZSA-N 1 0 421.585 5.643 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](O)CC ZINC000036316232 569135103 /nfs/dbraw/zinc/13/51/03/569135103.db2.gz JFOUDTQYMVHFDC-JOCHJYFZSA-N 1 0 421.585 5.456 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)CC ZINC000036316233 569135145 /nfs/dbraw/zinc/13/51/45/569135145.db2.gz JFOUDTQYMVHFDC-QFIPXVFZSA-N 1 0 421.585 5.456 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036316236 569135152 /nfs/dbraw/zinc/13/51/52/569135152.db2.gz DIERNJDZURGJBS-HXUWFJFHSA-N 1 0 407.558 5.066 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036316237 569135120 /nfs/dbraw/zinc/13/51/20/569135120.db2.gz DIERNJDZURGJBS-FQEVSTJZSA-N 1 0 407.558 5.066 50 0 HKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036316550 569135082 /nfs/dbraw/zinc/13/50/82/569135082.db2.gz BRRJKCUYQKOGPJ-QGZVFWFLSA-N 1 0 413.949 5.124 50 0 HKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036316551 569135160 /nfs/dbraw/zinc/13/51/60/569135160.db2.gz BRRJKCUYQKOGPJ-KRWDZBQOSA-N 1 0 413.949 5.124 50 0 HKAARO COc1cccc(C[NH2+][C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000036323648 558799126 /nfs/dbraw/zinc/79/91/26/558799126.db2.gz QRXVHHGJYZCNHF-NSOVKSMOSA-N 1 0 412.577 5.080 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036340898 569141526 /nfs/dbraw/zinc/14/15/26/569141526.db2.gz MTWFDWYCWJVQHA-MBSDFSHPSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036340899 569141497 /nfs/dbraw/zinc/14/14/97/569141497.db2.gz MTWFDWYCWJVQHA-FDDCHVKYSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036340904 569141672 /nfs/dbraw/zinc/14/16/72/569141672.db2.gz DQFAKTVRXNDFEA-QHCPKHFHSA-N 1 0 409.961 5.058 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036340905 569141684 /nfs/dbraw/zinc/14/16/84/569141684.db2.gz DQFAKTVRXNDFEA-HSZRJFAPSA-N 1 0 409.961 5.058 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340948 558799101 /nfs/dbraw/zinc/79/91/01/558799101.db2.gz REACVQCBRXOSLI-ZHRRBRCNSA-N 1 0 413.924 5.031 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340949 558799114 /nfs/dbraw/zinc/79/91/14/558799114.db2.gz REACVQCBRXOSLI-AOMKIAJQSA-N 1 0 413.924 5.031 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340978 569141867 /nfs/dbraw/zinc/14/18/67/569141867.db2.gz ZEFIPKOEOPCODJ-DEOSSOPVSA-N 1 0 423.988 5.366 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340979 569141853 /nfs/dbraw/zinc/14/18/53/569141853.db2.gz ZEFIPKOEOPCODJ-XMMPIXPASA-N 1 0 423.988 5.366 50 0 HKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036340996 569141803 /nfs/dbraw/zinc/14/18/03/569141803.db2.gz JZXAJGQDQKSONW-FQEVSTJZSA-N 1 0 404.341 5.013 50 0 HKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036340997 569141850 /nfs/dbraw/zinc/14/18/50/569141850.db2.gz JZXAJGQDQKSONW-HXUWFJFHSA-N 1 0 404.341 5.013 50 0 HKAARO CC(C)[N@H+](C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036341008 569141861 /nfs/dbraw/zinc/14/18/61/569141861.db2.gz UWUDVKMLIFRMFB-FQEVSTJZSA-N 1 0 404.341 5.011 50 0 HKAARO CC(C)[N@H+](C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036341009 569141864 /nfs/dbraw/zinc/14/18/64/569141864.db2.gz UWUDVKMLIFRMFB-HXUWFJFHSA-N 1 0 404.341 5.011 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341599 569142005 /nfs/dbraw/zinc/14/20/05/569142005.db2.gz XYEZLXUBUNRDCI-VWLOTQADSA-N 1 0 403.570 5.246 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341600 569142022 /nfs/dbraw/zinc/14/20/22/569142022.db2.gz XYEZLXUBUNRDCI-RUZDIDTESA-N 1 0 403.570 5.246 50 0 HKAARO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341996 569142088 /nfs/dbraw/zinc/14/20/88/569142088.db2.gz BJHPXMRFKUAGQU-FQEVSTJZSA-N 1 0 411.521 5.093 50 0 HKAARO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341997 569142223 /nfs/dbraw/zinc/14/22/23/569142223.db2.gz BJHPXMRFKUAGQU-HXUWFJFHSA-N 1 0 411.521 5.093 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036342094 569142183 /nfs/dbraw/zinc/14/21/83/569142183.db2.gz RHKPJHDBFWUNGD-OAQYLSRUSA-N 1 0 411.521 5.095 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036342095 569142106 /nfs/dbraw/zinc/14/21/06/569142106.db2.gz RHKPJHDBFWUNGD-NRFANRHFSA-N 1 0 411.521 5.095 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342118 569142094 /nfs/dbraw/zinc/14/20/94/569142094.db2.gz UGECPUFRTSPMQR-QFIPXVFZSA-N 1 0 423.532 5.095 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342119 569142133 /nfs/dbraw/zinc/14/21/33/569142133.db2.gz UGECPUFRTSPMQR-JOCHJYFZSA-N 1 0 423.532 5.095 50 0 HKAARO CC[N@H+](CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342524 569142195 /nfs/dbraw/zinc/14/21/95/569142195.db2.gz KMBIPPUXZQSARD-VWLOTQADSA-N 1 0 421.560 5.466 50 0 HKAARO CC[N@H+](CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342525 569142203 /nfs/dbraw/zinc/14/22/03/569142203.db2.gz KMBIPPUXZQSARD-RUZDIDTESA-N 1 0 421.560 5.466 50 0 HKAARO CC[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342854 569142118 /nfs/dbraw/zinc/14/21/18/569142118.db2.gz RJKRFMZBHWYGDR-DEOSSOPVSA-N 1 0 423.988 5.672 50 0 HKAARO CC[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342856 569142073 /nfs/dbraw/zinc/14/20/73/569142073.db2.gz RJKRFMZBHWYGDR-XMMPIXPASA-N 1 0 423.988 5.672 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036343555 569142354 /nfs/dbraw/zinc/14/23/54/569142354.db2.gz AWNLMWISWSJOFI-OFVILXPXSA-N 1 0 403.570 5.164 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036343556 569142428 /nfs/dbraw/zinc/14/24/28/569142428.db2.gz AWNLMWISWSJOFI-SQJMNOBHSA-N 1 0 403.570 5.164 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036343564 569142359 /nfs/dbraw/zinc/14/23/59/569142359.db2.gz ZFNYZBRFKAOKMV-VWLOTQADSA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036343566 569142419 /nfs/dbraw/zinc/14/24/19/569142419.db2.gz ZFNYZBRFKAOKMV-RUZDIDTESA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036343581 569142307 /nfs/dbraw/zinc/14/23/07/569142307.db2.gz JIAFNLVBMOJTMN-SANMLTNESA-N 1 0 417.597 5.554 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036343584 569142304 /nfs/dbraw/zinc/14/23/04/569142304.db2.gz JIAFNLVBMOJTMN-AREMUKBSSA-N 1 0 417.597 5.554 50 0 HKAARO Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036343611 569142387 /nfs/dbraw/zinc/14/23/87/569142387.db2.gz WDAULNIXMGCADE-OFVILXPXSA-N 1 0 403.570 5.164 50 0 HKAARO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036343612 569142313 /nfs/dbraw/zinc/14/23/13/569142313.db2.gz WDAULNIXMGCADE-SQJMNOBHSA-N 1 0 403.570 5.164 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036343767 569142341 /nfs/dbraw/zinc/14/23/41/569142341.db2.gz TTXHWSXXBGLICB-QHCPKHFHSA-N 1 0 409.961 5.058 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036343769 569142330 /nfs/dbraw/zinc/14/23/30/569142330.db2.gz TTXHWSXXBGLICB-HSZRJFAPSA-N 1 0 409.961 5.058 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343881 569142332 /nfs/dbraw/zinc/14/23/32/569142332.db2.gz DRZUQQFABSZYOV-DEOSSOPVSA-N 1 0 423.988 5.366 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343883 569142413 /nfs/dbraw/zinc/14/24/13/569142413.db2.gz DRZUQQFABSZYOV-XMMPIXPASA-N 1 0 423.988 5.366 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344602 569142649 /nfs/dbraw/zinc/14/26/49/569142649.db2.gz ITVBYZIGGKVXGX-VWLOTQADSA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344603 569142654 /nfs/dbraw/zinc/14/26/54/569142654.db2.gz ITVBYZIGGKVXGX-RUZDIDTESA-N 1 0 403.570 5.021 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344630 569142646 /nfs/dbraw/zinc/14/26/46/569142646.db2.gz PNYUHSSRMSGCGK-VWLOTQADSA-N 1 0 403.570 5.021 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344631 569142710 /nfs/dbraw/zinc/14/27/10/569142710.db2.gz PNYUHSSRMSGCGK-RUZDIDTESA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c(C)c1 ZINC000036344650 569142681 /nfs/dbraw/zinc/14/26/81/569142681.db2.gz GWVUURADEJXFHL-SANMLTNESA-N 1 0 417.597 5.330 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c(C)c1 ZINC000036344651 569142700 /nfs/dbraw/zinc/14/27/00/569142700.db2.gz GWVUURADEJXFHL-AREMUKBSSA-N 1 0 417.597 5.330 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344668 569142721 /nfs/dbraw/zinc/14/27/21/569142721.db2.gz HXXCZJDRUUZQTL-SANMLTNESA-N 1 0 417.597 5.330 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344669 569142705 /nfs/dbraw/zinc/14/27/05/569142705.db2.gz HXXCZJDRUUZQTL-AREMUKBSSA-N 1 0 417.597 5.330 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)cc1C ZINC000036344706 569142883 /nfs/dbraw/zinc/14/28/83/569142883.db2.gz JQGZPUPVSLNDGF-VWLOTQADSA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)cc1C ZINC000036344707 569142832 /nfs/dbraw/zinc/14/28/32/569142832.db2.gz JQGZPUPVSLNDGF-RUZDIDTESA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344782 569142896 /nfs/dbraw/zinc/14/28/96/569142896.db2.gz IJVFCZYIUWOPAE-VWLOTQADSA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344783 569142863 /nfs/dbraw/zinc/14/28/63/569142863.db2.gz IJVFCZYIUWOPAE-RUZDIDTESA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344808 558799089 /nfs/dbraw/zinc/79/90/89/558799089.db2.gz SVLHDTSRILHBTA-VWLOTQADSA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344809 558799108 /nfs/dbraw/zinc/79/91/08/558799108.db2.gz SVLHDTSRILHBTA-RUZDIDTESA-N 1 0 421.560 5.385 50 0 HKAARO Cc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036344891 569142774 /nfs/dbraw/zinc/14/27/74/569142774.db2.gz YBMLKZGRKPHYBK-QHCPKHFHSA-N 1 0 409.961 5.058 50 0 HKAARO Cc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036344892 569142856 /nfs/dbraw/zinc/14/28/56/569142856.db2.gz YBMLKZGRKPHYBK-HSZRJFAPSA-N 1 0 409.961 5.058 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344985 569143022 /nfs/dbraw/zinc/14/30/22/569143022.db2.gz AXADJGIKQLGXSC-VWLOTQADSA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344986 569143014 /nfs/dbraw/zinc/14/30/14/569143014.db2.gz AXADJGIKQLGXSC-RUZDIDTESA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036345009 569143078 /nfs/dbraw/zinc/14/30/78/569143078.db2.gz AKYSQWIIZKVXGZ-VWLOTQADSA-N 1 0 403.570 5.021 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345010 569142994 /nfs/dbraw/zinc/14/29/94/569142994.db2.gz AKYSQWIIZKVXGZ-RUZDIDTESA-N 1 0 403.570 5.021 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345043 569143034 /nfs/dbraw/zinc/14/30/34/569143034.db2.gz ZGONRFLXCAMTJX-MBSDFSHPSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345044 569142983 /nfs/dbraw/zinc/14/29/83/569142983.db2.gz ZGONRFLXCAMTJX-FDDCHVKYSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345065 569143057 /nfs/dbraw/zinc/14/30/57/569143057.db2.gz NTNBWGVUMLAPRI-CYFREDJKSA-N 1 0 423.988 5.509 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345066 569143024 /nfs/dbraw/zinc/14/30/24/569143024.db2.gz NTNBWGVUMLAPRI-YADARESESA-N 1 0 423.988 5.509 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345071 569143037 /nfs/dbraw/zinc/14/30/37/569143037.db2.gz LXJKUVFMWDBCCA-DEOSSOPVSA-N 1 0 423.988 5.366 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345072 569143091 /nfs/dbraw/zinc/14/30/91/569143091.db2.gz LXJKUVFMWDBCCA-XMMPIXPASA-N 1 0 423.988 5.366 50 0 HKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036345839 569143407 /nfs/dbraw/zinc/14/34/07/569143407.db2.gz BFWKYFIRHPQLRN-HXUWFJFHSA-N 1 0 407.558 5.120 50 0 HKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036345840 569143377 /nfs/dbraw/zinc/14/33/77/569143377.db2.gz BFWKYFIRHPQLRN-FQEVSTJZSA-N 1 0 407.558 5.120 50 0 HKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345883 569143373 /nfs/dbraw/zinc/14/33/73/569143373.db2.gz ZRTJGTCTZVXROE-QHCPKHFHSA-N 1 0 419.569 5.407 50 0 HKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345884 569143413 /nfs/dbraw/zinc/14/34/13/569143413.db2.gz ZRTJGTCTZVXROE-HSZRJFAPSA-N 1 0 419.569 5.407 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)C(C)C ZINC000036345915 569143335 /nfs/dbraw/zinc/14/33/35/569143335.db2.gz VYUIBXWFAFLGRD-VWLOTQADSA-N 1 0 421.585 5.510 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)C(C)C ZINC000036345916 569143366 /nfs/dbraw/zinc/14/33/66/569143366.db2.gz VYUIBXWFAFLGRD-RUZDIDTESA-N 1 0 421.585 5.510 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)CC ZINC000036345921 569143488 /nfs/dbraw/zinc/14/34/88/569143488.db2.gz NTQUTHMGVYEPLN-JOCHJYFZSA-N 1 0 407.558 5.264 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)CC ZINC000036345922 569143674 /nfs/dbraw/zinc/14/36/74/569143674.db2.gz NTQUTHMGVYEPLN-QFIPXVFZSA-N 1 0 407.558 5.264 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345947 569143522 /nfs/dbraw/zinc/14/35/22/569143522.db2.gz AEOGRNNLEFLHBK-QHCPKHFHSA-N 1 0 419.569 5.264 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345948 569143556 /nfs/dbraw/zinc/14/35/56/569143556.db2.gz AEOGRNNLEFLHBK-HSZRJFAPSA-N 1 0 419.569 5.264 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CC ZINC000036346061 569143581 /nfs/dbraw/zinc/14/35/81/569143581.db2.gz SUUINDNBWBVCRJ-HXUWFJFHSA-N 1 0 411.521 5.095 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036346062 569143613 /nfs/dbraw/zinc/14/36/13/569143613.db2.gz SUUINDNBWBVCRJ-FQEVSTJZSA-N 1 0 411.521 5.095 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346091 569143662 /nfs/dbraw/zinc/14/36/62/569143662.db2.gz URMFDQJZWJHUKA-NRFANRHFSA-N 1 0 423.532 5.095 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346092 569143515 /nfs/dbraw/zinc/14/35/15/569143515.db2.gz URMFDQJZWJHUKA-OAQYLSRUSA-N 1 0 423.532 5.095 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346121 569143509 /nfs/dbraw/zinc/14/35/09/569143509.db2.gz HDQORJRGCMLRHG-QHCPKHFHSA-N 1 0 421.585 5.510 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346122 569143534 /nfs/dbraw/zinc/14/35/34/569143534.db2.gz HDQORJRGCMLRHG-HSZRJFAPSA-N 1 0 421.585 5.510 50 0 HKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036346125 569143576 /nfs/dbraw/zinc/14/35/76/569143576.db2.gz XGQSWTBAJPZLTL-HXUWFJFHSA-N 1 0 407.558 5.120 50 0 HKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036346126 569143678 /nfs/dbraw/zinc/14/36/78/569143678.db2.gz XGQSWTBAJPZLTL-FQEVSTJZSA-N 1 0 407.558 5.120 50 0 HKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346336 569143652 /nfs/dbraw/zinc/14/36/52/569143652.db2.gz JLOCFTVSXQETDL-QFIPXVFZSA-N 1 0 423.532 5.238 50 0 HKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346338 569143636 /nfs/dbraw/zinc/14/36/36/569143636.db2.gz JLOCFTVSXQETDL-JOCHJYFZSA-N 1 0 423.532 5.238 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346380 569143649 /nfs/dbraw/zinc/14/36/49/569143649.db2.gz XKALJBKZXLOZIU-OAQYLSRUSA-N 1 0 411.521 5.095 50 0 HKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346381 569143632 /nfs/dbraw/zinc/14/36/32/569143632.db2.gz XKALJBKZXLOZIU-NRFANRHFSA-N 1 0 411.521 5.095 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346427 569143671 /nfs/dbraw/zinc/14/36/71/569143671.db2.gz BTODHPQJWPXWOT-QFIPXVFZSA-N 1 0 423.532 5.095 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346428 569143479 /nfs/dbraw/zinc/14/34/79/569143479.db2.gz BTODHPQJWPXWOT-JOCHJYFZSA-N 1 0 423.532 5.095 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](C)O)C(C)C ZINC000036346513 569143655 /nfs/dbraw/zinc/14/36/55/569143655.db2.gz AOMVLARRXWZLJF-HXUWFJFHSA-N 1 0 407.558 5.127 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](C)O)C(C)C ZINC000036346514 569143625 /nfs/dbraw/zinc/14/36/25/569143625.db2.gz AOMVLARRXWZLJF-FQEVSTJZSA-N 1 0 407.558 5.127 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](C)O)CC1CC1 ZINC000036346544 569143668 /nfs/dbraw/zinc/14/36/68/569143668.db2.gz CPERAKBAZIBVOE-HXUWFJFHSA-N 1 0 419.569 5.128 50 0 HKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](C)O)CC1CC1 ZINC000036346545 569143778 /nfs/dbraw/zinc/14/37/78/569143778.db2.gz CPERAKBAZIBVOE-FQEVSTJZSA-N 1 0 419.569 5.128 50 0 HKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346777 569143737 /nfs/dbraw/zinc/14/37/37/569143737.db2.gz TWAQUCXWENNNJY-QFIPXVFZSA-N 1 0 421.585 5.417 50 0 HKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346778 569143804 /nfs/dbraw/zinc/14/38/04/569143804.db2.gz TWAQUCXWENNNJY-JOCHJYFZSA-N 1 0 421.585 5.417 50 0 HKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346781 569143845 /nfs/dbraw/zinc/14/38/45/569143845.db2.gz IPJAUZJUKPILEW-HXUWFJFHSA-N 1 0 407.558 5.027 50 0 HKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346782 569143791 /nfs/dbraw/zinc/14/37/91/569143791.db2.gz IPJAUZJUKPILEW-FQEVSTJZSA-N 1 0 407.558 5.027 50 0 HKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346815 569143619 /nfs/dbraw/zinc/14/36/19/569143619.db2.gz VITAVNHDPDJDSG-WOJBJXKFSA-N 1 0 407.558 5.169 50 0 HKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346816 569143528 /nfs/dbraw/zinc/14/35/28/569143528.db2.gz VITAVNHDPDJDSG-VQTJNVASSA-N 1 0 407.558 5.169 50 0 HKAARO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036347430 569143980 /nfs/dbraw/zinc/14/39/80/569143980.db2.gz JLCGFNJDMYEZCE-SANMLTNESA-N 1 0 404.554 5.624 50 0 HKAARO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036347431 569143985 /nfs/dbraw/zinc/14/39/85/569143985.db2.gz JLCGFNJDMYEZCE-AREMUKBSSA-N 1 0 404.554 5.624 50 0 HKAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347686 569144133 /nfs/dbraw/zinc/14/41/33/569144133.db2.gz LZTHXSHBZCLMFV-SANMLTNESA-N 1 0 418.581 5.798 50 0 HKAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347687 569144197 /nfs/dbraw/zinc/14/41/97/569144197.db2.gz LZTHXSHBZCLMFV-AREMUKBSSA-N 1 0 418.581 5.798 50 0 HKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347863 569144202 /nfs/dbraw/zinc/14/42/02/569144202.db2.gz SVOBAYGYUQEJPC-RUZDIDTESA-N 1 0 418.581 5.798 50 0 HKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347864 569144295 /nfs/dbraw/zinc/14/42/95/569144295.db2.gz SVOBAYGYUQEJPC-VWLOTQADSA-N 1 0 418.581 5.798 50 0 HKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347871 569144418 /nfs/dbraw/zinc/14/44/18/569144418.db2.gz SZUPMKUAUCPGPE-NDEPHWFRSA-N 1 0 408.545 6.584 50 0 HKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347872 569144378 /nfs/dbraw/zinc/14/43/78/569144378.db2.gz SZUPMKUAUCPGPE-MUUNZHRXSA-N 1 0 408.545 6.584 50 0 HKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347879 569144485 /nfs/dbraw/zinc/14/44/85/569144485.db2.gz RMBOLYIEAUDSFP-NDEPHWFRSA-N 1 0 424.544 6.284 50 0 HKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347880 569144476 /nfs/dbraw/zinc/14/44/76/569144476.db2.gz RMBOLYIEAUDSFP-MUUNZHRXSA-N 1 0 424.544 6.284 50 0 HKAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347883 569144439 /nfs/dbraw/zinc/14/44/39/569144439.db2.gz SYKSCWKGHATVGB-NDEPHWFRSA-N 1 0 424.544 6.284 50 0 HKAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347884 569144413 /nfs/dbraw/zinc/14/44/13/569144413.db2.gz SYKSCWKGHATVGB-MUUNZHRXSA-N 1 0 424.544 6.284 50 0 HKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347897 569144522 /nfs/dbraw/zinc/14/45/22/569144522.db2.gz YTGXCOPJYOJRHU-NDEPHWFRSA-N 1 0 408.545 6.584 50 0 HKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347898 569144516 /nfs/dbraw/zinc/14/45/16/569144516.db2.gz YTGXCOPJYOJRHU-MUUNZHRXSA-N 1 0 408.545 6.584 50 0 HKAARO COc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348011 569144534 /nfs/dbraw/zinc/14/45/34/569144534.db2.gz GMLHJCKIDPEZMG-AREMUKBSSA-N 1 0 404.554 5.624 50 0 HKAARO COc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348012 569144402 /nfs/dbraw/zinc/14/44/02/569144402.db2.gz GMLHJCKIDPEZMG-SANMLTNESA-N 1 0 404.554 5.624 50 0 HKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348033 569144451 /nfs/dbraw/zinc/14/44/51/569144451.db2.gz PNJXQNCOVMGKFM-RUZDIDTESA-N 1 0 404.554 5.624 50 0 HKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348034 569144482 /nfs/dbraw/zinc/14/44/82/569144482.db2.gz PNJXQNCOVMGKFM-VWLOTQADSA-N 1 0 404.554 5.624 50 0 HKAARO Cc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000036348303 569144042 /nfs/dbraw/zinc/14/40/42/569144042.db2.gz NJMBSVZZMBNGRN-MUUNZHRXSA-N 1 0 408.545 6.584 50 0 HKAARO Cc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000036348304 569144086 /nfs/dbraw/zinc/14/40/86/569144086.db2.gz NJMBSVZZMBNGRN-NDEPHWFRSA-N 1 0 408.545 6.584 50 0 HKAARO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348385 569144236 /nfs/dbraw/zinc/14/42/36/569144236.db2.gz YZJRAQJEPJBCPI-MUUNZHRXSA-N 1 0 408.545 6.584 50 0 HKAARO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348386 569144185 /nfs/dbraw/zinc/14/41/85/569144185.db2.gz YZJRAQJEPJBCPI-NDEPHWFRSA-N 1 0 408.545 6.584 50 0 HKAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348558 569144501 /nfs/dbraw/zinc/14/45/01/569144501.db2.gz NTWMLMHPCYGEOK-DEOSSOPVSA-N 1 0 420.553 5.126 50 0 HKAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348560 569144336 /nfs/dbraw/zinc/14/43/36/569144336.db2.gz NTWMLMHPCYGEOK-XMMPIXPASA-N 1 0 420.553 5.126 50 0 HKAARO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)C[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000036383309 569158731 /nfs/dbraw/zinc/15/87/31/569158731.db2.gz XNDXEIYARWEMSV-YMPZKCBVSA-N 1 0 403.547 5.350 50 0 HKAARO Cc1ccc(C(=O)[C@H]2C[N@@H+](C)[C@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000036383310 558799574 /nfs/dbraw/zinc/79/95/74/558799574.db2.gz XNDXEIYARWEMSV-MDNUFGMLSA-N 1 0 403.547 5.350 50 0 HKAARO C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000036389642 569165432 /nfs/dbraw/zinc/16/54/32/569165432.db2.gz GVHRIGWZAPAXDC-NYUBLWNDSA-N 1 0 409.599 5.129 50 0 HKAARO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000036390190 569165420 /nfs/dbraw/zinc/16/54/20/569165420.db2.gz BJXJWFCVTOYHJQ-UEXGIBASSA-N 1 0 409.599 5.131 50 0 HKAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl ZINC000036398644 569171593 /nfs/dbraw/zinc/17/15/93/569171593.db2.gz FOYQVPLPPTUFMU-XMMPIXPASA-N 1 0 417.940 5.642 50 0 HKAARO Cc1ccc(NC(=O)[C@@H]([NH2+]CCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl ZINC000036398645 569171691 /nfs/dbraw/zinc/17/16/91/569171691.db2.gz FOYQVPLPPTUFMU-DEOSSOPVSA-N 1 0 417.940 5.642 50 0 HKAARO C[N@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000036447036 569185039 /nfs/dbraw/zinc/18/50/39/569185039.db2.gz MPKOXKGPBIYWGW-KNQAVFIVSA-N 1 0 419.594 5.012 50 0 HKAARO Clc1ccccc1/C=C1/CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccccc1Cl ZINC000036490673 560880275 /nfs/dbraw/zinc/88/02/75/560880275.db2.gz CQVVXEGDIXUDOK-OKULMJQMSA-N 1 0 409.320 5.774 50 0 HKAARO O[C@H](C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)CO[C@H]1CCCc2ccccc21 ZINC000036666595 569217452 /nfs/dbraw/zinc/21/74/52/569217452.db2.gz GPFNJXKIGXNQPX-SFLYRZDNSA-N 1 0 411.542 5.021 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000037143098 569238788 /nfs/dbraw/zinc/23/87/88/569238788.db2.gz OSSGYWKIQMSUQI-UHFFFAOYSA-N 1 0 402.485 5.234 50 0 HKAARO C[C@@H](NC(=O)[C@H](C)[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000037195909 569240002 /nfs/dbraw/zinc/24/00/02/569240002.db2.gz QVMKACNLTBORMR-KGVIQGDOSA-N 1 0 417.578 5.217 50 0 HKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037279853 569246364 /nfs/dbraw/zinc/24/63/64/569246364.db2.gz BDYBOGTWDBTMIF-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037279855 569246304 /nfs/dbraw/zinc/24/63/04/569246304.db2.gz JVIGXUDPJVQPPO-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279964 569246331 /nfs/dbraw/zinc/24/63/31/569246331.db2.gz ZWHYLMXUFLQZTK-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279978 569246358 /nfs/dbraw/zinc/24/63/58/569246358.db2.gz IAGDRGOMQHHHRL-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)cc1 ZINC000037279991 569246279 /nfs/dbraw/zinc/24/62/79/569246279.db2.gz CPQZQRLJZQUZGT-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000037279994 569246430 /nfs/dbraw/zinc/24/64/30/569246430.db2.gz REDKQFGWYTUSSE-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037280020 569246442 /nfs/dbraw/zinc/24/64/42/569246442.db2.gz HEUBPAHUDIQQTO-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280024 569246446 /nfs/dbraw/zinc/24/64/46/569246446.db2.gz WGGROUAODLSMBJ-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037280034 569246397 /nfs/dbraw/zinc/24/63/97/569246397.db2.gz LNVIWRAQMYUKFO-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037280049 569246400 /nfs/dbraw/zinc/24/64/00/569246400.db2.gz JOYOVDLFUDJUGU-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1cc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523242 569302912 /nfs/dbraw/zinc/30/29/12/569302912.db2.gz UCOMDIACLZYKNL-VWLOTQADSA-N 1 0 420.553 5.126 50 0 HKAARO COc1cc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523243 569302921 /nfs/dbraw/zinc/30/29/21/569302921.db2.gz UCOMDIACLZYKNL-RUZDIDTESA-N 1 0 420.553 5.126 50 0 HKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)cc1 ZINC000037524001 569303355 /nfs/dbraw/zinc/30/33/55/569303355.db2.gz HBDNNOHQOVOIDR-RSXGOPAZSA-N 1 0 424.604 5.490 50 0 HKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)cc1 ZINC000037524002 569303341 /nfs/dbraw/zinc/30/33/41/569303341.db2.gz HBDNNOHQOVOIDR-AHWVRZQESA-N 1 0 424.604 5.490 50 0 HKAARO O=C(NCc1cccc(F)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547287 569305853 /nfs/dbraw/zinc/30/58/53/569305853.db2.gz WLWMISUMDXHXBV-UHFFFAOYSA-N 1 0 416.540 5.210 50 0 HKAARO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547393 569305860 /nfs/dbraw/zinc/30/58/60/569305860.db2.gz IHSWWYKRIKLKMP-UHFFFAOYSA-N 1 0 416.540 5.210 50 0 HKAARO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000037547414 569305813 /nfs/dbraw/zinc/30/58/13/569305813.db2.gz NFQXFLNLFJIJOR-UHFFFAOYSA-N 1 0 412.577 5.380 50 0 HKAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000037554020 569306143 /nfs/dbraw/zinc/30/61/43/569306143.db2.gz JDRQOEDWWUVCAB-UHFFFAOYSA-N 1 0 400.522 5.191 50 0 HKAARO Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000037554101 559176344 /nfs/dbraw/zinc/17/63/44/559176344.db2.gz CJKCCUAJYFSDSE-UHFFFAOYSA-N 1 0 405.586 5.174 50 0 HKAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554275 569306157 /nfs/dbraw/zinc/30/61/57/569306157.db2.gz MMLMNJGMUKQVAC-UHFFFAOYSA-N 1 0 419.613 5.519 50 0 HKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000037554358 559176285 /nfs/dbraw/zinc/17/62/85/559176285.db2.gz RGJRZQUXRCUQTO-UHFFFAOYSA-N 1 0 405.586 5.080 50 0 HKAARO Cc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N(C)C3CCCCC3)CC2)c1 ZINC000037554521 569306365 /nfs/dbraw/zinc/30/63/65/569306365.db2.gz FRPNLBFFUDKJGT-UHFFFAOYSA-N 1 0 419.613 5.483 50 0 HKAARO Cc1ccc(C(=O)NCC(C)C)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554541 569306348 /nfs/dbraw/zinc/30/63/48/569306348.db2.gz AMYZBAOHDOUGQZ-UHFFFAOYSA-N 1 0 407.602 5.279 50 0 HKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000037554728 569306309 /nfs/dbraw/zinc/30/63/09/569306309.db2.gz CBBHCLNDFWCMTL-UHFFFAOYSA-N 1 0 423.576 5.219 50 0 HKAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000037554730 569306242 /nfs/dbraw/zinc/30/62/42/569306242.db2.gz YGNZEPOPRYSBKA-UHFFFAOYSA-N 1 0 411.977 5.049 50 0 HKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559429 569306815 /nfs/dbraw/zinc/30/68/15/569306815.db2.gz FESVQMMYJIYGIS-UHFFFAOYSA-N 1 0 406.476 5.276 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037559437 569306842 /nfs/dbraw/zinc/30/68/42/569306842.db2.gz FPUOMXZIPYEHAH-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO Cc1cccc(N(C(=O)c2ccccc2F)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037559447 569306807 /nfs/dbraw/zinc/30/68/07/569306807.db2.gz OCAJMLKYEBKLCQ-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037559450 569306839 /nfs/dbraw/zinc/30/68/39/569306839.db2.gz HPJGHKBFQNYHDU-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1 ZINC000037559497 569306854 /nfs/dbraw/zinc/30/68/54/569306854.db2.gz RKTUYRNYYQWZPK-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037559517 569306794 /nfs/dbraw/zinc/30/67/94/569306794.db2.gz KNFJNJRRJJNRHE-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037559519 569306862 /nfs/dbraw/zinc/30/68/62/569306862.db2.gz GNXZZEDBZLBJNE-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000037559573 569306817 /nfs/dbraw/zinc/30/68/17/569306817.db2.gz YUDSJLBFYGCGOG-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559575 569306833 /nfs/dbraw/zinc/30/68/33/569306833.db2.gz ZXKSWLGYVLMHQP-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559581 569306836 /nfs/dbraw/zinc/30/68/36/569306836.db2.gz SLFMWHVVVGYCEG-UHFFFAOYSA-N 1 0 424.466 5.415 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037559653 569306796 /nfs/dbraw/zinc/30/67/96/569306796.db2.gz YPWUCFXBAYQXAG-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccc(C)cc3)CC2)cc1 ZINC000037559659 569306813 /nfs/dbraw/zinc/30/68/13/569306813.db2.gz WOJCEVMIBJSKNV-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559809 569306858 /nfs/dbraw/zinc/30/68/58/569306858.db2.gz BIRJCTSLPXPYBW-UHFFFAOYSA-N 1 0 406.476 5.276 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037559819 569306819 /nfs/dbraw/zinc/30/68/19/569306819.db2.gz KGSUHANQDFPMFM-UHFFFAOYSA-N 1 0 400.522 5.007 50 0 HKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037559821 569306851 /nfs/dbraw/zinc/30/68/51/569306851.db2.gz ZZNBTTSGDDEWTP-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000037559825 569306805 /nfs/dbraw/zinc/30/68/05/569306805.db2.gz VSJKGQSWKVBICQ-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559872 569306987 /nfs/dbraw/zinc/30/69/87/569306987.db2.gz CGBCASKUJDUADA-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000037559932 569306943 /nfs/dbraw/zinc/30/69/43/569306943.db2.gz ACRCJLVUCKCSSY-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000037559934 569306989 /nfs/dbraw/zinc/30/69/89/569306989.db2.gz QMNOGQAVVNOCLD-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037559936 569306924 /nfs/dbraw/zinc/30/69/24/569306924.db2.gz ABKWYWQBTDJFDN-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037559938 569306934 /nfs/dbraw/zinc/30/69/34/569306934.db2.gz LRKPUHDLRNMLFV-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559977 569306965 /nfs/dbraw/zinc/30/69/65/569306965.db2.gz VVADEBKUZGAITI-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037559979 569306973 /nfs/dbraw/zinc/30/69/73/569306973.db2.gz WGUICDYYMFQDNO-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559993 569306926 /nfs/dbraw/zinc/30/69/26/569306926.db2.gz SWUNZCNERDCONB-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccc(C)cc3)CC2)c1 ZINC000037560015 569306951 /nfs/dbraw/zinc/30/69/51/569306951.db2.gz NSDLTTCXUMCVPQ-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2cccs2)c2ccc(C)cc2)CC1 ZINC000037560018 569306982 /nfs/dbraw/zinc/30/69/82/569306982.db2.gz SMKOSTPUHAPGRO-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2)c2ccc(C)cc2)CC1 ZINC000037560037 569306941 /nfs/dbraw/zinc/30/69/41/569306941.db2.gz GAMDSNMBZFQWAJ-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2F)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037560040 569306955 /nfs/dbraw/zinc/30/69/55/569306955.db2.gz DVBAWERYWIGZKW-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037560105 569306910 /nfs/dbraw/zinc/30/69/10/569306910.db2.gz ZGZKNUZOOFVLCO-UHFFFAOYSA-N 1 0 424.541 5.207 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000037560109 569306918 /nfs/dbraw/zinc/30/69/18/569306918.db2.gz HSRROXYMBHNLRJ-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000037560121 569306959 /nfs/dbraw/zinc/30/69/59/569306959.db2.gz NCVBDKDOJSGCPN-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037560123 569306949 /nfs/dbraw/zinc/30/69/49/569306949.db2.gz OCZBPZSPDFWKPT-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037560293 569306902 /nfs/dbraw/zinc/30/69/02/569306902.db2.gz MQCOYNHMRLUKBT-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037560335 569306953 /nfs/dbraw/zinc/30/69/53/569306953.db2.gz ISLDBNQJFIJJHL-UHFFFAOYSA-N 1 0 424.466 5.415 50 0 HKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037560392 569306939 /nfs/dbraw/zinc/30/69/39/569306939.db2.gz LNJNNFBLCFCVHL-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037560399 569306994 /nfs/dbraw/zinc/30/69/94/569306994.db2.gz RCGDZBYOVHACJS-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037560402 569306992 /nfs/dbraw/zinc/30/69/92/569306992.db2.gz QCBFJAMIEGGJFR-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037560404 569306957 /nfs/dbraw/zinc/30/69/57/569306957.db2.gz QHVCQOHHFUTFBT-UHFFFAOYSA-N 1 0 408.542 5.507 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037560424 569306980 /nfs/dbraw/zinc/30/69/80/569306980.db2.gz WWJZDJPDVANAIM-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037560426 569306961 /nfs/dbraw/zinc/30/69/61/569306961.db2.gz MGICJQGGJJZGHG-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037560452 569306945 /nfs/dbraw/zinc/30/69/45/569306945.db2.gz XNTIIUZTLJTAEK-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037560455 569307087 /nfs/dbraw/zinc/30/70/87/569307087.db2.gz RSDCPLQSVYGRDI-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000037560480 569307072 /nfs/dbraw/zinc/30/70/72/569307072.db2.gz QRDQFIDROTZNPJ-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037560501 569307056 /nfs/dbraw/zinc/30/70/56/569307056.db2.gz XHCOBSRRNDVKCL-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000037560646 569307068 /nfs/dbraw/zinc/30/70/68/569307068.db2.gz BPTHFEYJEZNSQD-UHFFFAOYSA-N 1 0 400.522 5.007 50 0 HKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000037560650 569307078 /nfs/dbraw/zinc/30/70/78/569307078.db2.gz UJUNKEPJEMIYQW-UHFFFAOYSA-N 1 0 400.522 5.007 50 0 HKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037560701 569307061 /nfs/dbraw/zinc/30/70/61/569307061.db2.gz LOQVHMJETAYWHE-UHFFFAOYSA-N 1 0 406.476 5.276 50 0 HKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560703 569307112 /nfs/dbraw/zinc/30/71/12/569307112.db2.gz BCUTYZURCBWXMF-UHFFFAOYSA-N 1 0 406.476 5.276 50 0 HKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000037560705 569307052 /nfs/dbraw/zinc/30/70/52/569307052.db2.gz FIOKNZZWDSXLJU-UHFFFAOYSA-N 1 0 418.512 5.146 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037560730 569307065 /nfs/dbraw/zinc/30/70/65/569307065.db2.gz YBRBHIIBCZJSOU-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000037560732 569307106 /nfs/dbraw/zinc/30/71/06/569307106.db2.gz AXSYJXPTNBFTNM-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO O=C(c1cccs1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560759 569307054 /nfs/dbraw/zinc/30/70/54/569307054.db2.gz VNISHYQNGPLGFL-UHFFFAOYSA-N 1 0 412.505 5.338 50 0 HKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)cc1 ZINC000037560848 569307091 /nfs/dbraw/zinc/30/70/91/569307091.db2.gz WCVOLSLYXMKTDD-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000037560873 569307109 /nfs/dbraw/zinc/30/71/09/569307109.db2.gz MRSREGBYSNFPRO-UHFFFAOYSA-N 1 0 424.541 5.207 50 0 HKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000037560875 569307089 /nfs/dbraw/zinc/30/70/89/569307089.db2.gz YHZFMBVERHTNPT-UHFFFAOYSA-N 1 0 424.541 5.207 50 0 HKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000037570524 569307392 /nfs/dbraw/zinc/30/73/92/569307392.db2.gz GWAKPWHIFBYWLJ-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000037570530 569307408 /nfs/dbraw/zinc/30/74/08/569307408.db2.gz LINPAWPMWZZKEB-UHFFFAOYSA-N 1 0 410.464 5.178 50 0 HKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccc(C)c(F)c3)CC2)c1 ZINC000037570531 569307434 /nfs/dbraw/zinc/30/74/34/569307434.db2.gz VZQYWSOARYXWDX-UHFFFAOYSA-N 1 0 406.501 5.347 50 0 HKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)cc1 ZINC000037570534 569307438 /nfs/dbraw/zinc/30/74/38/569307438.db2.gz WZONOHCIDYCQOB-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037570626 569307443 /nfs/dbraw/zinc/30/74/43/569307443.db2.gz GHHVCBPWTVOMKM-UHFFFAOYSA-N 1 0 402.513 5.446 50 0 HKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000037570627 569307400 /nfs/dbraw/zinc/30/74/00/569307400.db2.gz OFDPGGZCZJULSW-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)c1 ZINC000037570637 569307411 /nfs/dbraw/zinc/30/74/11/569307411.db2.gz WIJNUYSGKBDSJH-UHFFFAOYSA-N 1 0 414.549 5.315 50 0 HKAARO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037570638 569307448 /nfs/dbraw/zinc/30/74/48/569307448.db2.gz JWZADZSIDOQXGT-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c1 ZINC000037570643 569307425 /nfs/dbraw/zinc/30/74/25/569307425.db2.gz WGPUCLAJRNDNTE-UHFFFAOYSA-N 1 0 416.540 5.754 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000037570644 569307406 /nfs/dbraw/zinc/30/74/06/569307406.db2.gz WJPPVFBRVRPWQH-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1F ZINC000037572185 569307395 /nfs/dbraw/zinc/30/73/95/569307395.db2.gz GWLIFKIHHVTELN-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000037572193 569307440 /nfs/dbraw/zinc/30/74/40/569307440.db2.gz KNXAYTAVHGVSGJ-UHFFFAOYSA-N 1 0 410.464 5.178 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037580729 559255478 /nfs/dbraw/zinc/25/54/78/559255478.db2.gz FJXCVYQLNVNVBN-UHFFFAOYSA-N 1 0 412.577 5.869 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037580758 569308068 /nfs/dbraw/zinc/30/80/68/569308068.db2.gz YJVMJWWPHLPVBI-UHFFFAOYSA-N 1 0 412.577 5.869 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037587659 569308275 /nfs/dbraw/zinc/30/82/75/569308275.db2.gz WMHFAZWZXPWGNA-UHFFFAOYSA-N 1 0 416.540 5.700 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037587681 569308191 /nfs/dbraw/zinc/30/81/91/569308191.db2.gz ZXNHORCNPSBSPS-UHFFFAOYSA-N 1 0 416.540 5.700 50 0 HKAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037587823 569308230 /nfs/dbraw/zinc/30/82/30/569308230.db2.gz WDZOYZKNDRGSRC-UHFFFAOYSA-N 1 0 423.626 5.183 50 0 HKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037587960 559255483 /nfs/dbraw/zinc/25/54/83/559255483.db2.gz CIFIPTMYABMYKD-UHFFFAOYSA-N 1 0 416.540 5.700 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000038139398 569358113 /nfs/dbraw/zinc/35/81/13/569358113.db2.gz XYNPYHXGMWJBLV-NSASOMIBSA-N 1 0 415.662 5.367 50 0 HKAARO Clc1ccccc1/C=C1/CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccccc1Cl ZINC000038182398 568570580 /nfs/dbraw/zinc/57/05/80/568570580.db2.gz CQVVXEGDIXUDOK-MQGIHEMASA-N 1 0 409.320 5.774 50 0 HKAARO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545862 568999836 /nfs/dbraw/zinc/99/98/36/568999836.db2.gz RLXWGKCSNPWIOT-OAQYLSRUSA-N 1 0 410.539 5.486 50 0 HKAARO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545863 568999793 /nfs/dbraw/zinc/99/97/93/568999793.db2.gz RLXWGKCSNPWIOT-NRFANRHFSA-N 1 0 410.539 5.486 50 0 HKAARO COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1 ZINC000038545864 568999784 /nfs/dbraw/zinc/99/97/84/568999784.db2.gz QDPLWFNMYPXRSZ-OAQYLSRUSA-N 1 0 410.539 5.486 50 0 HKAARO COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1 ZINC000038545865 568999697 /nfs/dbraw/zinc/99/96/97/568999697.db2.gz QDPLWFNMYPXRSZ-NRFANRHFSA-N 1 0 410.539 5.486 50 0 HKAARO COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000038545866 568999800 /nfs/dbraw/zinc/99/98/00/568999800.db2.gz QUDOBIRLISKFJW-OAQYLSRUSA-N 1 0 410.539 5.486 50 0 HKAARO COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000038545867 568999769 /nfs/dbraw/zinc/99/97/69/568999769.db2.gz QUDOBIRLISKFJW-NRFANRHFSA-N 1 0 410.539 5.486 50 0 HKAARO CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545889 568999807 /nfs/dbraw/zinc/99/98/07/568999807.db2.gz URKZSTXZXGYFCB-QFIPXVFZSA-N 1 0 424.566 5.876 50 0 HKAARO CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545890 568999700 /nfs/dbraw/zinc/99/97/00/568999700.db2.gz URKZSTXZXGYFCB-JOCHJYFZSA-N 1 0 424.566 5.876 50 0 HKAARO Cc1cc([C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545895 568999829 /nfs/dbraw/zinc/99/98/29/568999829.db2.gz FTQOZLLEMZLZMA-HSZRJFAPSA-N 1 0 422.594 6.601 50 0 HKAARO Cc1cc([C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545896 568999752 /nfs/dbraw/zinc/99/97/52/568999752.db2.gz FTQOZLLEMZLZMA-QHCPKHFHSA-N 1 0 422.594 6.601 50 0 HKAARO Cc1cc([C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545903 568999790 /nfs/dbraw/zinc/99/97/90/568999790.db2.gz RFHARNZEGLXDEF-OAQYLSRUSA-N 1 0 424.522 5.206 50 0 HKAARO Cc1cc([C@H](c2ccc3c(c2)OCO3)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545904 568999705 /nfs/dbraw/zinc/99/97/05/568999705.db2.gz RFHARNZEGLXDEF-NRFANRHFSA-N 1 0 424.522 5.206 50 0 HKAARO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545917 568999734 /nfs/dbraw/zinc/99/97/34/568999734.db2.gz NKAZOAGZWJPEBQ-JOCHJYFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545918 568999861 /nfs/dbraw/zinc/99/98/61/568999861.db2.gz NKAZOAGZWJPEBQ-QFIPXVFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@@H](c2cccc(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545919 568999854 /nfs/dbraw/zinc/99/98/54/568999854.db2.gz TZBFOKZNPKXEOF-JOCHJYFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@H](c2cccc(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545920 568999832 /nfs/dbraw/zinc/99/98/32/568999832.db2.gz TZBFOKZNPKXEOF-QFIPXVFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545929 568999710 /nfs/dbraw/zinc/99/97/10/568999710.db2.gz DDIUARLRAHYGIM-JOCHJYFZSA-N 1 0 408.567 6.040 50 0 HKAARO CCc1cc([C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545930 568999825 /nfs/dbraw/zinc/99/98/25/568999825.db2.gz DDIUARLRAHYGIM-QFIPXVFZSA-N 1 0 408.567 6.040 50 0 HKAARO CCc1cc([C@@H](c2cccs2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545949 568999780 /nfs/dbraw/zinc/99/97/80/568999780.db2.gz GCUMODPLLYKIQQ-IBGZPJMESA-N 1 0 400.569 5.793 50 0 HKAARO CCc1cc([C@H](c2cccs2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545950 568999759 /nfs/dbraw/zinc/99/97/59/568999759.db2.gz GCUMODPLLYKIQQ-LJQANCHMSA-N 1 0 400.569 5.793 50 0 HKAARO O=C(Nc1sc2c(c1[C@H](c1ccccc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545951 568999843 /nfs/dbraw/zinc/99/98/43/568999843.db2.gz TZTQRBCWTGSUPW-QHCPKHFHSA-N 1 0 420.578 6.048 50 0 HKAARO O=C(Nc1sc2c(c1[C@@H](c1ccccc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545952 568999718 /nfs/dbraw/zinc/99/97/18/568999718.db2.gz TZTQRBCWTGSUPW-HSZRJFAPSA-N 1 0 420.578 6.048 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000038545971 568999839 /nfs/dbraw/zinc/99/98/39/568999839.db2.gz YZORXBGMBPFELN-OAQYLSRUSA-N 1 0 410.608 6.254 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000038545972 568999746 /nfs/dbraw/zinc/99/97/46/568999746.db2.gz YZORXBGMBPFELN-NRFANRHFSA-N 1 0 410.608 6.254 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000038545985 568999676 /nfs/dbraw/zinc/99/96/76/568999676.db2.gz GTFSQMHFLXUSDP-HXUWFJFHSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000038545986 568999681 /nfs/dbraw/zinc/99/96/81/568999681.db2.gz GTFSQMHFLXUSDP-FQEVSTJZSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000038545987 568999812 /nfs/dbraw/zinc/99/98/12/568999812.db2.gz JQAFFAOWRUXQBN-HXUWFJFHSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000038545988 568999726 /nfs/dbraw/zinc/99/97/26/568999726.db2.gz JQAFFAOWRUXQBN-FQEVSTJZSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)[NH+]2CCCCC2)c1C ZINC000038545989 568999796 /nfs/dbraw/zinc/99/97/96/568999796.db2.gz LUIGLDSKEOQUQF-HXUWFJFHSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccncc2)[NH+]2CCCCC2)c1C ZINC000038545990 568999714 /nfs/dbraw/zinc/99/97/14/568999714.db2.gz LUIGLDSKEOQUQF-FQEVSTJZSA-N 1 0 411.596 5.649 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1C ZINC000038545992 568999857 /nfs/dbraw/zinc/99/98/57/568999857.db2.gz MFRJUCMDWIXBHM-QFIPXVFZSA-N 1 0 424.635 6.562 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1C ZINC000038545993 568999846 /nfs/dbraw/zinc/99/98/46/568999846.db2.gz MFRJUCMDWIXBHM-JOCHJYFZSA-N 1 0 424.635 6.562 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000038546004 568999742 /nfs/dbraw/zinc/99/97/42/568999742.db2.gz FKTQADVXUCKXMJ-LJQANCHMSA-N 1 0 416.637 6.316 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000038546005 568999804 /nfs/dbraw/zinc/99/98/04/568999804.db2.gz FKTQADVXUCKXMJ-IBGZPJMESA-N 1 0 416.637 6.316 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)[NH+]2CCCCC2)c1C ZINC000038546006 568999748 /nfs/dbraw/zinc/99/97/48/568999748.db2.gz GZVWCGABUSABBJ-LJQANCHMSA-N 1 0 416.637 6.316 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)[NH+]2CCCCC2)c1C ZINC000038546007 568999819 /nfs/dbraw/zinc/99/98/19/568999819.db2.gz GZVWCGABUSABBJ-IBGZPJMESA-N 1 0 416.637 6.316 50 0 HKAARO CCc1cc([C@@H](c2ccccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546107 568999956 /nfs/dbraw/zinc/99/99/56/568999956.db2.gz YMULKJJGPYKYGT-JOCHJYFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@H](c2ccccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546108 568999967 /nfs/dbraw/zinc/99/99/67/568999967.db2.gz YMULKJJGPYKYGT-QFIPXVFZSA-N 1 0 424.566 5.740 50 0 HKAARO CCc1cc([C@@H](c2ccsc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546119 568999979 /nfs/dbraw/zinc/99/99/79/568999979.db2.gz AYTBDXJZVOMUFN-LJQANCHMSA-N 1 0 400.569 5.793 50 0 HKAARO CCc1cc([C@H](c2ccsc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546120 568999973 /nfs/dbraw/zinc/99/99/73/568999973.db2.gz AYTBDXJZVOMUFN-IBGZPJMESA-N 1 0 400.569 5.793 50 0 HKAARO O=C(Nc1sc2c(c1[C@H](c1ccccn1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546121 569000022 /nfs/dbraw/zinc/00/00/22/569000022.db2.gz SGKNMDJYNOWZSS-QFIPXVFZSA-N 1 0 421.566 5.443 50 0 HKAARO O=C(Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546122 568999985 /nfs/dbraw/zinc/99/99/85/568999985.db2.gz SGKNMDJYNOWZSS-JOCHJYFZSA-N 1 0 421.566 5.443 50 0 HKAARO O=C(Nc1sc2c(c1[C@H](c1cccnc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546123 568999994 /nfs/dbraw/zinc/99/99/94/568999994.db2.gz ARFBSXBIXXLRDJ-QFIPXVFZSA-N 1 0 421.566 5.443 50 0 HKAARO O=C(Nc1sc2c(c1[C@@H](c1cccnc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546124 569000043 /nfs/dbraw/zinc/00/00/43/569000043.db2.gz ARFBSXBIXXLRDJ-JOCHJYFZSA-N 1 0 421.566 5.443 50 0 HKAARO O=C(Nc1sc2c(c1[C@@H](c1ccncc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546125 569000038 /nfs/dbraw/zinc/00/00/38/569000038.db2.gz HAPRBPPXZLJPCY-JOCHJYFZSA-N 1 0 421.566 5.443 50 0 HKAARO O=C(Nc1sc2c(c1[C@H](c1ccncc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546126 569000047 /nfs/dbraw/zinc/00/00/47/569000047.db2.gz HAPRBPPXZLJPCY-QFIPXVFZSA-N 1 0 421.566 5.443 50 0 HKAARO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546226 569000284 /nfs/dbraw/zinc/00/02/84/569000284.db2.gz SVLWFISRLACTLO-JOCHJYFZSA-N 1 0 424.566 5.732 50 0 HKAARO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546227 569000198 /nfs/dbraw/zinc/00/01/98/569000198.db2.gz SVLWFISRLACTLO-QFIPXVFZSA-N 1 0 424.566 5.732 50 0 HKAARO COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1 ZINC000038546228 569000150 /nfs/dbraw/zinc/00/01/50/569000150.db2.gz KFMRRILZOOMTLZ-JOCHJYFZSA-N 1 0 424.566 5.732 50 0 HKAARO COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1 ZINC000038546229 569000147 /nfs/dbraw/zinc/00/01/47/569000147.db2.gz KFMRRILZOOMTLZ-QFIPXVFZSA-N 1 0 424.566 5.732 50 0 HKAARO COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000038546230 569000232 /nfs/dbraw/zinc/00/02/32/569000232.db2.gz VOCMSDKUOXKRPH-JOCHJYFZSA-N 1 0 424.566 5.732 50 0 HKAARO COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000038546231 569000184 /nfs/dbraw/zinc/00/01/84/569000184.db2.gz VOCMSDKUOXKRPH-QFIPXVFZSA-N 1 0 424.566 5.732 50 0 HKAARO Cc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546238 569000244 /nfs/dbraw/zinc/00/02/44/569000244.db2.gz QKLQISPVSHYQCO-OAQYLSRUSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546239 568577837 /nfs/dbraw/zinc/57/78/37/568577837.db2.gz QKLQISPVSHYQCO-NRFANRHFSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546240 568577878 /nfs/dbraw/zinc/57/78/78/568577878.db2.gz VNMZZQOMUJTPRL-OAQYLSRUSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546241 569000159 /nfs/dbraw/zinc/00/01/59/569000159.db2.gz VNMZZQOMUJTPRL-NRFANRHFSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@@H](c2ccccc2F)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546242 569000255 /nfs/dbraw/zinc/00/02/55/569000255.db2.gz PQLWOGXBMLLDNC-OAQYLSRUSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@H](c2ccccc2F)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546243 569000265 /nfs/dbraw/zinc/00/02/65/569000265.db2.gz PQLWOGXBMLLDNC-NRFANRHFSA-N 1 0 412.530 5.862 50 0 HKAARO Cc1cc([C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546251 569000235 /nfs/dbraw/zinc/00/02/35/569000235.db2.gz SCXQHULLRXVFAR-QFIPXVFZSA-N 1 0 408.567 6.032 50 0 HKAARO Cc1cc([C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546252 568577799 /nfs/dbraw/zinc/57/77/99/568577799.db2.gz SCXQHULLRXVFAR-JOCHJYFZSA-N 1 0 408.567 6.032 50 0 HKAARO Cc1cc([C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546273 569000249 /nfs/dbraw/zinc/00/02/49/569000249.db2.gz GZEFDTIPCTYOCU-IBGZPJMESA-N 1 0 400.569 5.785 50 0 HKAARO Cc1cc([C@H](c2cccs2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546274 569000239 /nfs/dbraw/zinc/00/02/39/569000239.db2.gz GZEFDTIPCTYOCU-LJQANCHMSA-N 1 0 400.569 5.785 50 0 HKAARO Cc1cc([C@@H](c2ccsc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546275 569000268 /nfs/dbraw/zinc/00/02/68/569000268.db2.gz CQXBCLBDNMTLPK-LJQANCHMSA-N 1 0 400.569 5.785 50 0 HKAARO Cc1cc([C@H](c2ccsc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546276 568577824 /nfs/dbraw/zinc/57/78/24/568577824.db2.gz CQXBCLBDNMTLPK-IBGZPJMESA-N 1 0 400.569 5.785 50 0 HKAARO CCc1cc([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546277 569000228 /nfs/dbraw/zinc/00/02/28/569000228.db2.gz CNAMYNADLTYLMZ-JOCHJYFZSA-N 1 0 408.567 5.977 50 0 HKAARO CCc1cc([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546278 568577810 /nfs/dbraw/zinc/57/78/10/568577810.db2.gz CNAMYNADLTYLMZ-QFIPXVFZSA-N 1 0 408.567 5.977 50 0 HKAARO CCc1cc([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546289 569000194 /nfs/dbraw/zinc/00/01/94/569000194.db2.gz ZOZYSAQELQYCLN-OAQYLSRUSA-N 1 0 409.555 5.372 50 0 HKAARO CCc1cc([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546290 568577787 /nfs/dbraw/zinc/57/77/87/568577787.db2.gz ZOZYSAQELQYCLN-NRFANRHFSA-N 1 0 409.555 5.372 50 0 HKAARO CCc1cc([C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546291 569000187 /nfs/dbraw/zinc/00/01/87/569000187.db2.gz DYBJMFNIRIXTGW-HSZRJFAPSA-N 1 0 422.594 6.286 50 0 HKAARO CCc1cc([C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546292 569000135 /nfs/dbraw/zinc/00/01/35/569000135.db2.gz DYBJMFNIRIXTGW-QHCPKHFHSA-N 1 0 422.594 6.286 50 0 HKAARO CCc1cc([C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546303 569000137 /nfs/dbraw/zinc/00/01/37/569000137.db2.gz DKLDREAVTQPXHT-FQEVSTJZSA-N 1 0 414.596 6.039 50 0 HKAARO CCc1cc([C@H](c2cccs2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546304 568577815 /nfs/dbraw/zinc/57/78/15/568577815.db2.gz DKLDREAVTQPXHT-HXUWFJFHSA-N 1 0 414.596 6.039 50 0 HKAARO CCc1cc([C@@H](c2ccsc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546305 569000221 /nfs/dbraw/zinc/00/02/21/569000221.db2.gz BUCYVQNXCCKURU-HXUWFJFHSA-N 1 0 414.596 6.039 50 0 HKAARO CCc1cc([C@H](c2ccsc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546306 569000297 /nfs/dbraw/zinc/00/02/97/569000297.db2.gz BUCYVQNXCCKURU-FQEVSTJZSA-N 1 0 414.596 6.039 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000038546701 569000501 /nfs/dbraw/zinc/00/05/01/569000501.db2.gz MAZQXWOOHOHJMY-JOCHJYFZSA-N 1 0 424.635 6.500 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000038546702 569000386 /nfs/dbraw/zinc/00/03/86/569000386.db2.gz MAZQXWOOHOHJMY-QFIPXVFZSA-N 1 0 424.635 6.500 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000038546869 569000532 /nfs/dbraw/zinc/00/05/32/569000532.db2.gz HQOOAJLGCXAEJI-HXUWFJFHSA-N 1 0 414.571 6.003 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000038546871 569000366 /nfs/dbraw/zinc/00/03/66/569000366.db2.gz HQOOAJLGCXAEJI-FQEVSTJZSA-N 1 0 414.571 6.003 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)[NH+]2CCCC2)c1C ZINC000038546873 569000465 /nfs/dbraw/zinc/00/04/65/569000465.db2.gz CIALMLOEVADBPZ-HXUWFJFHSA-N 1 0 414.571 6.003 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)[NH+]2CCCC2)c1C ZINC000038546875 569000453 /nfs/dbraw/zinc/00/04/53/569000453.db2.gz CIALMLOEVADBPZ-FQEVSTJZSA-N 1 0 414.571 6.003 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)[NH+]2CCCC2)c1C ZINC000038546877 569000506 /nfs/dbraw/zinc/00/05/06/569000506.db2.gz AIVVIFQZQGZDJV-HXUWFJFHSA-N 1 0 414.571 6.003 50 0 HKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2F)[NH+]2CCCC2)c1C ZINC000038546879 569000553 /nfs/dbraw/zinc/00/05/53/569000553.db2.gz AIVVIFQZQGZDJV-FQEVSTJZSA-N 1 0 414.571 6.003 50 0 HKAARO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12 ZINC000038628744 569358087 /nfs/dbraw/zinc/35/80/87/569358087.db2.gz UXUFUAYZSLSBDA-RUZDIDTESA-N 1 0 409.577 6.011 50 0 HKAARO Clc1ccc(Cn2cc(C[NH2+]CCCn3ccnc3)c3ccccc32)c(Cl)c1 ZINC000039279946 558820068 /nfs/dbraw/zinc/82/00/68/558820068.db2.gz HNQPHNNSLGNAIQ-UHFFFAOYSA-N 1 0 413.352 5.373 50 0 HKAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000039355390 558820311 /nfs/dbraw/zinc/82/03/11/558820311.db2.gz QIVQMFKVPXGISL-UHFFFAOYSA-N 1 0 415.537 5.157 50 0 HKAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000039420780 571132114 /nfs/dbraw/zinc/13/21/14/571132114.db2.gz JADHVJMOVYSPGN-KNQAVFIVSA-N 1 0 400.570 5.740 50 0 HKAARO CC[C@H](C)C[N@@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000039420781 571131990 /nfs/dbraw/zinc/13/19/90/571131990.db2.gz JADHVJMOVYSPGN-UGKGYDQZSA-N 1 0 400.570 5.740 50 0 HKAARO Cc1ccccc1N1CCC([N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000039515272 558822005 /nfs/dbraw/zinc/82/20/05/558822005.db2.gz QBDXBWYVKHVUEM-OAQYLSRUSA-N 1 0 423.576 5.234 50 0 HKAARO Cc1ccccc1N1CCC([N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000039515273 558822028 /nfs/dbraw/zinc/82/20/28/558822028.db2.gz QBDXBWYVKHVUEM-NRFANRHFSA-N 1 0 423.576 5.234 50 0 HKAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000039563784 571133467 /nfs/dbraw/zinc/13/34/67/571133467.db2.gz VHFUBNUNCVJWIX-UHFFFAOYSA-N 1 0 401.554 5.094 50 0 HKAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 ZINC000039563963 571133429 /nfs/dbraw/zinc/13/34/29/571133429.db2.gz MVQXOZIKANRIQT-UHFFFAOYSA-N 1 0 413.612 5.217 50 0 HKAARO c1ccc(COc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000039769828 558822584 /nfs/dbraw/zinc/82/25/84/558822584.db2.gz VGVHPQNRDXFRDX-SXOMAYOGSA-N 1 0 404.598 5.495 50 0 HKAARO CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000039917353 571134966 /nfs/dbraw/zinc/13/49/66/571134966.db2.gz UKFCLRJKLMJDJL-OAQYLSRUSA-N 1 0 418.585 5.415 50 0 HKAARO CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000039917354 571134832 /nfs/dbraw/zinc/13/48/32/571134832.db2.gz UKFCLRJKLMJDJL-NRFANRHFSA-N 1 0 418.585 5.415 50 0 HKAARO COc1ccc(C[C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000039931433 571134917 /nfs/dbraw/zinc/13/49/17/571134917.db2.gz BVQQXEYBVWBXGX-RUZDIDTESA-N 1 0 416.565 5.118 50 0 HKAARO COc1ccc(C[C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000039931434 571134861 /nfs/dbraw/zinc/13/48/61/571134861.db2.gz BVQQXEYBVWBXGX-VWLOTQADSA-N 1 0 416.565 5.118 50 0 HKAARO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000039979579 571135964 /nfs/dbraw/zinc/13/59/64/571135964.db2.gz GMWPOSBNHMJWRU-UHFFFAOYSA-N 1 0 408.760 5.532 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000040039648 571141994 /nfs/dbraw/zinc/14/19/94/571141994.db2.gz GIRBJUKZOMSSJK-UHFFFAOYSA-N 1 0 405.369 5.939 50 0 HKAARO Cc1cc(-n2c(C)cc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)c2C)no1 ZINC000040080110 571155247 /nfs/dbraw/zinc/15/52/47/571155247.db2.gz NQCRFYNCXPCTTD-UHFFFAOYSA-N 1 0 420.557 5.407 50 0 HKAARO Fc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086368 571156873 /nfs/dbraw/zinc/15/68/73/571156873.db2.gz JMZDVZAUCLIKNI-HXUWFJFHSA-N 1 0 414.322 5.000 50 0 HKAARO Fc1ccc(Br)cc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086369 571156807 /nfs/dbraw/zinc/15/68/07/571156807.db2.gz JMZDVZAUCLIKNI-FQEVSTJZSA-N 1 0 414.322 5.000 50 0 HKAARO COc1ccc(CN(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1F ZINC000040103361 571163851 /nfs/dbraw/zinc/16/38/51/571163851.db2.gz OAGVFFOSLGMXCU-UHFFFAOYSA-N 1 0 413.537 5.263 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000040103362 571163913 /nfs/dbraw/zinc/16/39/13/571163913.db2.gz JCXQAOOVUIVPFT-UHFFFAOYSA-N 1 0 416.569 5.523 50 0 HKAARO Cc1cccc(N2CCN(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)CC2)c1 ZINC000040103363 571163870 /nfs/dbraw/zinc/16/38/70/571163870.db2.gz ZSTMHAMJEYHPJK-UHFFFAOYSA-N 1 0 420.601 5.114 50 0 HKAARO CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000040103367 571163966 /nfs/dbraw/zinc/16/39/66/571163966.db2.gz CZSYMYCSQUQACC-UHFFFAOYSA-N 1 0 423.557 5.234 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccco1)C1CCCCC1 ZINC000040103370 571164010 /nfs/dbraw/zinc/16/40/10/571164010.db2.gz LKGPSSMMKQDDSO-UHFFFAOYSA-N 1 0 421.541 5.871 50 0 HKAARO COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000040103371 571164004 /nfs/dbraw/zinc/16/40/04/571164004.db2.gz VEHMVHAPCVINFD-RUZDIDTESA-N 1 0 421.585 5.829 50 0 HKAARO COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000040103372 571164041 /nfs/dbraw/zinc/16/40/41/571164041.db2.gz VEHMVHAPCVINFD-VWLOTQADSA-N 1 0 421.585 5.829 50 0 HKAARO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 ZINC000040155517 571202569 /nfs/dbraw/zinc/20/25/69/571202569.db2.gz CANMQCVHKNPSDF-MRXNPFEDSA-N 1 0 404.630 5.873 50 0 HKAARO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 ZINC000040155518 571202688 /nfs/dbraw/zinc/20/26/88/571202688.db2.gz CANMQCVHKNPSDF-INIZCTEOSA-N 1 0 404.630 5.873 50 0 HKAARO C[C@H](NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155746 571202835 /nfs/dbraw/zinc/20/28/35/571202835.db2.gz UOKVPPMLSNPROL-UGSOOPFHSA-N 1 0 409.393 5.065 50 0 HKAARO C[C@H](NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155748 571202993 /nfs/dbraw/zinc/20/29/93/571202993.db2.gz UOKVPPMLSNPROL-SCLBCKFNSA-N 1 0 409.393 5.065 50 0 HKAARO C[C@@H](NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155749 571202982 /nfs/dbraw/zinc/20/29/82/571202982.db2.gz UOKVPPMLSNPROL-FZKQIMNGSA-N 1 0 409.393 5.065 50 0 HKAARO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000040382430 522260319 /nfs/dbraw/zinc/26/03/19/522260319.db2.gz XKLIHGBKDQPUKU-UHFFFAOYSA-N 1 0 404.554 5.290 50 0 HKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040414704 524387747 /nfs/dbraw/zinc/38/77/47/524387747.db2.gz IQNUGLJJFZRUIW-UHFFFAOYSA-N 1 0 420.503 5.585 50 0 HKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000040416015 521090591 /nfs/dbraw/zinc/09/05/91/521090591.db2.gz XOJJPCWPSPLGLO-UHFFFAOYSA-N 1 0 404.476 5.421 50 0 HKAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000040416033 526127547 /nfs/dbraw/zinc/12/75/47/526127547.db2.gz RVYCRAMHFKBGJS-UHFFFAOYSA-N 1 0 400.950 5.002 50 0 HKAARO CCOc1ccc(C[N@H+](C)CCCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000040461098 520961819 /nfs/dbraw/zinc/96/18/19/520961819.db2.gz UCMAEESDNSSZSZ-UHFFFAOYSA-N 1 0 409.357 5.551 50 0 HKAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)cc1 ZINC000040736225 525071447 /nfs/dbraw/zinc/07/14/47/525071447.db2.gz WUCAFKROZZJMKR-UHFFFAOYSA-N 1 0 402.538 5.588 50 0 HKAARO CCCCC[NH2+]Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040739976 520227271 /nfs/dbraw/zinc/22/72/71/520227271.db2.gz IVCYKTMWXAGOQB-UHFFFAOYSA-N 1 0 419.363 5.055 50 0 HKAARO COc1ccc2nc(C)cc(SCCNc3cc(C)[nH+]c4ccc(OC)cc34)c2c1 ZINC000041105093 525663267 /nfs/dbraw/zinc/66/32/67/525663267.db2.gz ITCHHJBNZHJQHR-UHFFFAOYSA-N 1 0 419.550 5.621 50 0 HKAARO C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)[NH+]1CCCCC1 ZINC000041156082 524759851 /nfs/dbraw/zinc/75/98/51/524759851.db2.gz GTENRUOPDBFEEV-SFHVURJKSA-N 1 0 413.525 5.238 50 0 HKAARO C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)[NH+]1CCCCC1 ZINC000041156085 524511612 /nfs/dbraw/zinc/51/16/12/524511612.db2.gz GTENRUOPDBFEEV-GOSISDBHSA-N 1 0 413.525 5.238 50 0 HKAARO Brc1ccc2c(ccc(OCCC3CC[NH2+]CC3)c2Br)c1 ZINC000042770328 518217612 /nfs/dbraw/zinc/21/76/12/518217612.db2.gz KNHZPBUSTAVMHB-UHFFFAOYSA-N 1 0 413.153 5.133 50 0 HKAARO Brc1ccc2c(ccc(OCC[C@@H]3CCC[NH2+]C3)c2Br)c1 ZINC000042770332 518217547 /nfs/dbraw/zinc/21/75/47/518217547.db2.gz WAQLMQPXDFRIID-LBPRGKRZSA-N 1 0 413.153 5.133 50 0 HKAARO Brc1ccc2c(ccc(OCC[C@H]3CCC[NH2+]C3)c2Br)c1 ZINC000042770336 518218301 /nfs/dbraw/zinc/21/83/01/518218301.db2.gz WAQLMQPXDFRIID-GFCCVEGCSA-N 1 0 413.153 5.133 50 0 HKAARO Brc1ccc2c(ccc(OCC[C@@H]3CCCC[NH2+]3)c2Br)c1 ZINC000042770340 518217943 /nfs/dbraw/zinc/21/79/43/518217943.db2.gz DZTIXUTZTIPEMG-AWEZNQCLSA-N 1 0 413.153 5.276 50 0 HKAARO Brc1ccc2c(ccc(OCC[C@H]3CCCC[NH2+]3)c2Br)c1 ZINC000042770344 518217622 /nfs/dbraw/zinc/21/76/22/518217622.db2.gz DZTIXUTZTIPEMG-CQSZACIVSA-N 1 0 413.153 5.276 50 0 HKAARO CC(C)(c1ccccc1)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770644 519381640 /nfs/dbraw/zinc/38/16/40/519381640.db2.gz LXQCCLVTPPJKJZ-UHFFFAOYSA-N 1 0 402.376 5.544 50 0 HKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770648 519381562 /nfs/dbraw/zinc/38/15/62/519381562.db2.gz XXDYJIYSDADCIT-KRWDZBQOSA-N 1 0 402.376 5.544 50 0 HKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770652 519381506 /nfs/dbraw/zinc/38/15/06/519381506.db2.gz XXDYJIYSDADCIT-QGZVFWFLSA-N 1 0 402.376 5.544 50 0 HKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770656 519381418 /nfs/dbraw/zinc/38/14/18/519381418.db2.gz BIZACYMNRXBVGM-IBGZPJMESA-N 1 0 402.376 5.686 50 0 HKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770662 519383313 /nfs/dbraw/zinc/38/33/13/519383313.db2.gz BIZACYMNRXBVGM-LJQANCHMSA-N 1 0 402.376 5.686 50 0 HKAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942786 522974291 /nfs/dbraw/zinc/97/42/91/522974291.db2.gz NTWHGLFSMIMOSI-INIZCTEOSA-N 1 0 419.447 5.215 50 0 HKAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942789 522974382 /nfs/dbraw/zinc/97/43/82/522974382.db2.gz NTWHGLFSMIMOSI-MRXNPFEDSA-N 1 0 419.447 5.215 50 0 HKAARO CCn1c2ccccc2c2cc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000043028061 523274635 /nfs/dbraw/zinc/27/46/35/523274635.db2.gz CCPMAALZHMJSHK-IZLXSDGUSA-N 1 0 415.625 6.043 50 0 HKAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056932 522972495 /nfs/dbraw/zinc/97/24/95/522972495.db2.gz VGYKSUKVTWOMQW-IBGZPJMESA-N 1 0 401.510 5.349 50 0 HKAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056933 522974009 /nfs/dbraw/zinc/97/40/09/522974009.db2.gz VGYKSUKVTWOMQW-LJQANCHMSA-N 1 0 401.510 5.349 50 0 HKAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043125014 519716297 /nfs/dbraw/zinc/71/62/97/519716297.db2.gz WZGGIBXBPNKAGJ-IBGZPJMESA-N 1 0 408.933 5.068 50 0 HKAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043125016 519716511 /nfs/dbraw/zinc/71/65/11/519716511.db2.gz WZGGIBXBPNKAGJ-LJQANCHMSA-N 1 0 408.933 5.068 50 0 HKAARO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1 ZINC000043206677 569014186 /nfs/dbraw/zinc/01/41/86/569014186.db2.gz ZHPMYDSXGRRERG-DEOSSOPVSA-N 1 0 418.512 5.671 50 0 investigational HKAARO CC[C@H](C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000043766932 559049481 /nfs/dbraw/zinc/04/94/81/559049481.db2.gz XGBOXQUTPFMYLI-NVQXNPDNSA-N 1 0 423.560 5.520 50 0 HKAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)Nc2ccccc2Cl)CC1 ZINC000043991701 526157412 /nfs/dbraw/zinc/15/74/12/526157412.db2.gz UVIPUEGLKCLNMY-UHFFFAOYSA-N 1 0 403.979 5.096 50 0 HKAARO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000044857397 560897551 /nfs/dbraw/zinc/89/75/51/560897551.db2.gz BJXJNTJXEYCWGR-UHFFFAOYSA-N 1 0 400.522 5.244 50 0 HKAARO Cc1ccc2nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n2c1 ZINC000045974136 568422780 /nfs/dbraw/zinc/42/27/80/568422780.db2.gz XJCYTQYADGQYHG-UHFFFAOYSA-N 1 0 411.549 5.329 50 0 HKAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1 ZINC000046032326 568424697 /nfs/dbraw/zinc/42/46/97/568424697.db2.gz ADQSHYRBDBVWKO-UHFFFAOYSA-N 1 0 424.614 5.165 50 0 HKAARO CCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055507 568425726 /nfs/dbraw/zinc/42/57/26/568425726.db2.gz HSZTXOUPZLTPOF-UHFFFAOYSA-N 1 0 423.988 5.081 50 0 HKAARO CCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055606 568425710 /nfs/dbraw/zinc/42/57/10/568425710.db2.gz MJYWLFCWWFUXFO-UHFFFAOYSA-N 1 0 423.988 5.081 50 0 HKAARO CCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055707 568425718 /nfs/dbraw/zinc/42/57/18/568425718.db2.gz VBAKBJZMFDQOPJ-UHFFFAOYSA-N 1 0 423.988 5.081 50 0 HKAARO CCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000046055904 568425716 /nfs/dbraw/zinc/42/57/16/568425716.db2.gz XXPKPIIDPNCWMZ-UHFFFAOYSA-N 1 0 417.597 5.126 50 0 HKAARO Cc1sc2nc(-c3cccs3)nc(N3CCC([N@@H+](C)C(C)C)CC3)c2c1C ZINC000048261558 568433739 /nfs/dbraw/zinc/43/37/39/568433739.db2.gz OXRXHRXUFBZMCK-UHFFFAOYSA-N 1 0 400.617 5.346 50 0 HKAARO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1OC(F)(F)F ZINC000048291018 568435332 /nfs/dbraw/zinc/43/53/32/568435332.db2.gz YQOGYTYVCIWCMS-UHFFFAOYSA-N 1 0 402.416 5.191 50 0 HKAARO C[N@H+](Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000048308950 568436442 /nfs/dbraw/zinc/43/64/42/568436442.db2.gz RVFHDQRLVDCVLU-UHFFFAOYSA-N 1 0 400.526 5.160 50 0 HKAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000049523419 568452319 /nfs/dbraw/zinc/45/23/19/568452319.db2.gz LPEQFTNCDSACLX-UHFFFAOYSA-N 1 0 422.516 5.069 50 0 HKAARO CC(C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000049535962 568451048 /nfs/dbraw/zinc/45/10/48/568451048.db2.gz WAMHINVTGSQZTE-UHFFFAOYSA-N 1 0 423.988 5.080 50 0 HKAARO CC(C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000049535963 568450986 /nfs/dbraw/zinc/45/09/86/568450986.db2.gz OXIXRVAMBWYBID-UHFFFAOYSA-N 1 0 423.988 5.080 50 0 HKAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535964 568450965 /nfs/dbraw/zinc/45/09/65/568450965.db2.gz CWEGONVCZTZXGV-OAQYLSRUSA-N 1 0 417.597 5.125 50 0 HKAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535965 568451054 /nfs/dbraw/zinc/45/10/54/568451054.db2.gz CWEGONVCZTZXGV-NRFANRHFSA-N 1 0 417.597 5.125 50 0 HKAARO CCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535971 568451045 /nfs/dbraw/zinc/45/10/45/568451045.db2.gz PSKDLERYGCPLQF-UHFFFAOYSA-N 1 0 417.597 5.126 50 0 HKAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000049535972 568450983 /nfs/dbraw/zinc/45/09/83/568450983.db2.gz PAEODHXMSZIEDM-OAQYLSRUSA-N 1 0 417.597 5.125 50 0 HKAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000049535973 568451015 /nfs/dbraw/zinc/45/10/15/568451015.db2.gz PAEODHXMSZIEDM-NRFANRHFSA-N 1 0 417.597 5.125 50 0 HKAARO CC(C)[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590266 568452958 /nfs/dbraw/zinc/45/29/58/568452958.db2.gz OGZOQJPESBARSQ-UUOWRZLLSA-N 1 0 403.570 6.019 50 0 HKAARO CC(C)[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590267 568453049 /nfs/dbraw/zinc/45/30/49/568453049.db2.gz OGZOQJPESBARSQ-MHECFPHRSA-N 1 0 403.570 6.019 50 0 HKAARO CC(C)[C@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590268 568453033 /nfs/dbraw/zinc/45/30/33/568453033.db2.gz OGZOQJPESBARSQ-KOSHJBKYSA-N 1 0 403.570 6.019 50 0 HKAARO CC(C)[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590269 568453075 /nfs/dbraw/zinc/45/30/75/568453075.db2.gz OGZOQJPESBARSQ-HOYKHHGWSA-N 1 0 403.570 6.019 50 0 HKAARO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000054214646 569061204 /nfs/dbraw/zinc/06/12/04/569061204.db2.gz NOPDPPMQYVNCOW-UHFFFAOYSA-N 1 0 414.940 5.272 50 0 HKAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000054219796 569061239 /nfs/dbraw/zinc/06/12/39/569061239.db2.gz MCULONDEFPFYFQ-UHFFFAOYSA-N 1 0 416.952 6.001 50 0 HKAARO Cc1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccc(F)cc1 ZINC000054235502 569061484 /nfs/dbraw/zinc/06/14/84/569061484.db2.gz KXPHOPATZNRTNA-UHFFFAOYSA-N 1 0 418.541 5.128 50 0 HKAARO Cc1cc(Cl)cc2c(=O)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000054268703 569062773 /nfs/dbraw/zinc/06/27/73/569062773.db2.gz YXFLLADEPASCTB-UHFFFAOYSA-N 1 0 416.952 6.001 50 0 HKAARO O=C(C[NH2+]Cc1ccccc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000054956562 569369272 /nfs/dbraw/zinc/36/92/72/569369272.db2.gz WGZYIDPDAOLAMM-UHFFFAOYSA-N 1 0 414.452 5.625 50 0 HKAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cc(C)c(OC)cc1C)[NH2+]C2 ZINC000055008566 569375220 /nfs/dbraw/zinc/37/52/20/569375220.db2.gz UMNFUBGCQCAOLZ-VWLOTQADSA-N 1 0 406.526 5.093 50 0 HKAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)[NH2+]C2 ZINC000055008567 569375312 /nfs/dbraw/zinc/37/53/12/569375312.db2.gz UMNFUBGCQCAOLZ-RUZDIDTESA-N 1 0 406.526 5.093 50 0 HKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2cccc(C)c2)C3)c1OC ZINC000055036398 569376299 /nfs/dbraw/zinc/37/62/99/569376299.db2.gz VSBYFMMCCCYGAQ-UHFFFAOYSA-N 1 0 419.521 5.082 50 0 HKAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000055037026 558870235 /nfs/dbraw/zinc/87/02/35/558870235.db2.gz PWQMARARBFDSEX-FCHUYYIVSA-N 1 0 418.585 5.022 50 0 HKAARO Cc1cccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(-c3cccs3)nc12 ZINC000055041920 558870464 /nfs/dbraw/zinc/87/04/64/558870464.db2.gz JAITWOIFIHBYJS-LJQANCHMSA-N 1 0 402.519 5.201 50 0 HKAARO Cc1cccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(-c3cccs3)nc12 ZINC000055041921 558870454 /nfs/dbraw/zinc/87/04/54/558870454.db2.gz JAITWOIFIHBYJS-IBGZPJMESA-N 1 0 402.519 5.201 50 0 HKAARO CCC[NH+]1CCN(C(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)CC1 ZINC000055060369 558870925 /nfs/dbraw/zinc/87/09/25/558870925.db2.gz XSLCTNWZRLKZTD-UHFFFAOYSA-N 1 0 407.945 5.031 50 0 HKAARO CCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccc(C)cc32)CC1 ZINC000055060422 558870921 /nfs/dbraw/zinc/87/09/21/558870921.db2.gz FTLHZABNGUITOW-UHFFFAOYSA-N 1 0 407.945 5.031 50 0 HKAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)s1 ZINC000055060595 558871142 /nfs/dbraw/zinc/87/11/42/558871142.db2.gz YGMZYWMNQYZPQC-UHFFFAOYSA-N 1 0 405.567 5.278 50 0 HKAARO O=C(CC[C@H]1CCC[N@H+](C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060815 569381465 /nfs/dbraw/zinc/38/14/65/569381465.db2.gz HPCXJOYWXBVNGV-GCFJHJGGSA-N 1 0 400.925 5.536 50 0 HKAARO O=C(CC[C@@H]1CCC[N@H+](C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060816 569381378 /nfs/dbraw/zinc/38/13/78/569381378.db2.gz HPCXJOYWXBVNGV-RVPSJEOCSA-N 1 0 400.925 5.536 50 0 HKAARO Fc1ccc(F)c(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1F ZINC000055061178 558871393 /nfs/dbraw/zinc/87/13/93/558871393.db2.gz XZLJYOLBZRNFRQ-UHFFFAOYSA-N 1 0 417.519 5.156 50 0 HKAARO CCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3C)nc3ccc(Cl)cc32)CC1 ZINC000055062782 558871543 /nfs/dbraw/zinc/87/15/43/558871543.db2.gz VXVZKJGZDZPKPC-UHFFFAOYSA-N 1 0 407.945 5.031 50 0 HKAARO Cc1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000055065537 558871442 /nfs/dbraw/zinc/87/14/42/558871442.db2.gz OHGLORUDWRVTKT-UHFFFAOYSA-N 1 0 422.572 6.171 50 0 HKAARO Cc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc(C)c1O ZINC000055090221 558872047 /nfs/dbraw/zinc/87/20/47/558872047.db2.gz ZOYARJMEJSWOLV-DEOSSOPVSA-N 1 0 421.629 5.451 50 0 HKAARO Cc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc(C)c1O ZINC000055090224 558871994 /nfs/dbraw/zinc/87/19/94/558871994.db2.gz ZOYARJMEJSWOLV-XMMPIXPASA-N 1 0 421.629 5.451 50 0 HKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000055167025 558874693 /nfs/dbraw/zinc/87/46/93/558874693.db2.gz NLSBHJARNDACHO-UHFFFAOYSA-N 1 0 418.990 5.117 50 0 HKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2cccs2)CC1)N1CCCCC1 ZINC000055195916 558875455 /nfs/dbraw/zinc/87/54/55/558875455.db2.gz JQAIZILGTXYFFC-UHFFFAOYSA-N 1 0 418.990 5.071 50 0 HKAARO CCC[NH+]1CCC(CC(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C)c2)CC1 ZINC000055198299 558875737 /nfs/dbraw/zinc/87/57/37/558875737.db2.gz HCSMOVKLARRDBF-UHFFFAOYSA-N 1 0 407.558 5.006 50 0 HKAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(-c3ccccc3)cc1)[NH2+]C2 ZINC000055214602 569394001 /nfs/dbraw/zinc/39/40/01/569394001.db2.gz YMBJUTJKIOXNDY-NDEPHWFRSA-N 1 0 424.544 6.134 50 0 HKAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(-c3ccccc3)cc1)[NH2+]C2 ZINC000055214605 569393982 /nfs/dbraw/zinc/39/39/82/569393982.db2.gz YMBJUTJKIOXNDY-MUUNZHRXSA-N 1 0 424.544 6.134 50 0 HKAARO c1cnn(C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000055243437 558877059 /nfs/dbraw/zinc/87/70/59/558877059.db2.gz MKHBLIBKIPVSLF-SANMLTNESA-N 1 0 419.532 5.471 50 0 HKAARO c1cnn(C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000055243440 558877023 /nfs/dbraw/zinc/87/70/23/558877023.db2.gz MKHBLIBKIPVSLF-AREMUKBSSA-N 1 0 419.532 5.471 50 0 HKAARO Fc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000055244274 558877332 /nfs/dbraw/zinc/87/73/32/558877332.db2.gz SDRUIHVPWJXMGD-NRFANRHFSA-N 1 0 413.556 5.407 50 0 HKAARO Fc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000055244276 558877261 /nfs/dbraw/zinc/87/72/61/558877261.db2.gz SDRUIHVPWJXMGD-OAQYLSRUSA-N 1 0 413.556 5.407 50 0 HKAARO COc1cccc(N2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000055291826 558878639 /nfs/dbraw/zinc/87/86/39/558878639.db2.gz FOZLVIKZMUFVJV-UHFFFAOYSA-N 1 0 408.929 5.463 50 0 HKAARO Cc1ccc(C)c(N2CC[NH+](Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1 ZINC000055292220 558878659 /nfs/dbraw/zinc/87/86/59/558878659.db2.gz POHWGBXJPFOEDA-UHFFFAOYSA-N 1 0 408.630 5.926 50 0 HKAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000055292396 558878624 /nfs/dbraw/zinc/87/86/24/558878624.db2.gz KODJJSRFRGZXBZ-UHFFFAOYSA-N 1 0 406.957 6.071 50 0 HKAARO O=C(c1ccc(OC2CC[NH+](Cc3cc4ccccc4s3)CC2)cc1)N1CCCC1 ZINC000055361100 558880156 /nfs/dbraw/zinc/88/01/56/558880156.db2.gz GSRVXPWDXCLUGJ-UHFFFAOYSA-N 1 0 420.578 5.181 50 0 HKAARO Cc1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccc(C)cc1 ZINC000055416889 568774723 /nfs/dbraw/zinc/77/47/23/568774723.db2.gz KLWKCPUCEZWGCN-UHFFFAOYSA-N 1 0 414.578 5.297 50 0 HKAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1Cl ZINC000055477861 558881552 /nfs/dbraw/zinc/88/15/52/558881552.db2.gz LHBFKPBAODEFFC-UHFFFAOYSA-N 1 0 419.956 5.223 50 0 HKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc2ccccc2c1 ZINC000055529298 558881791 /nfs/dbraw/zinc/88/17/91/558881791.db2.gz AYGRTQRUBZXLQY-UHFFFAOYSA-N 1 0 421.544 5.414 50 0 HKAARO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055529488 558881735 /nfs/dbraw/zinc/88/17/35/558881735.db2.gz BALYSPHUAUPNKJ-UHFFFAOYSA-N 1 0 413.565 5.385 50 0 HKAARO CCOc1ccc(CNc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055535534 558881759 /nfs/dbraw/zinc/88/17/59/558881759.db2.gz LSQRYZDRBPWXTJ-UHFFFAOYSA-N 1 0 401.554 5.020 50 0 HKAARO Fc1cccc(Cl)c1CNc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055535559 558881826 /nfs/dbraw/zinc/88/18/26/558881826.db2.gz HXKNIQGERXWYOA-UHFFFAOYSA-N 1 0 409.936 5.413 50 0 HKAARO CC(C)(C)c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(C(C)(C)C)c1O ZINC000055543387 558882071 /nfs/dbraw/zinc/88/20/71/558882071.db2.gz OKLNOVLBTNJVCF-UHFFFAOYSA-N 1 0 415.021 5.963 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccccc4Cl)CC3)ccc21 ZINC000055543449 558882091 /nfs/dbraw/zinc/88/20/91/558882091.db2.gz NZOFDLJBWLJARP-UHFFFAOYSA-N 1 0 403.957 5.790 50 0 HKAARO Cc1cccc(N2CC[NH+](Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1C ZINC000055543470 558882050 /nfs/dbraw/zinc/88/20/50/558882050.db2.gz VBMGNBBZBNITHP-UHFFFAOYSA-N 1 0 408.630 5.926 50 0 HKAARO Clc1ccc(Oc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)cc1 ZINC000055543530 558882104 /nfs/dbraw/zinc/88/21/04/558882104.db2.gz FJQFVDJMOCIODZ-UHFFFAOYSA-N 1 0 413.348 6.108 50 0 HKAARO CC(C)(C)c1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O ZINC000055543836 558882120 /nfs/dbraw/zinc/88/21/20/558882120.db2.gz CGNJTFKKBVFAQA-UHFFFAOYSA-N 1 0 415.021 5.963 50 0 HKAARO Clc1ccc(Oc2cccc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2)cc1 ZINC000055543946 558882002 /nfs/dbraw/zinc/88/20/02/558882002.db2.gz YVLPFNVCIYYCEO-UHFFFAOYSA-N 1 0 413.348 6.108 50 0 HKAARO Cc1cccc(N2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1C ZINC000055544040 558882021 /nfs/dbraw/zinc/88/20/21/558882021.db2.gz IYXDRMKOEANGOP-UHFFFAOYSA-N 1 0 406.957 6.071 50 0 HKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000055544068 558882112 /nfs/dbraw/zinc/88/21/12/558882112.db2.gz RCGYJKOYSAQKLF-UHFFFAOYSA-N 1 0 412.455 5.820 50 0 HKAARO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215035 568794427 /nfs/dbraw/zinc/79/44/27/568794427.db2.gz LTOSBQYZIPUXTI-APPZFPTMSA-N 1 0 406.766 5.398 50 0 HKAARO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215036 568794445 /nfs/dbraw/zinc/79/44/45/568794445.db2.gz LTOSBQYZIPUXTI-CBAPKCEASA-N 1 0 406.766 5.398 50 0 HKAARO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215037 568794449 /nfs/dbraw/zinc/79/44/49/568794449.db2.gz LTOSBQYZIPUXTI-VXNVDRBHSA-N 1 0 406.766 5.398 50 0 HKAARO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215038 568794468 /nfs/dbraw/zinc/79/44/68/568794468.db2.gz LTOSBQYZIPUXTI-IONNQARKSA-N 1 0 406.766 5.398 50 0 HKAARO CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C(C)(C)C)C(C)(C)C)c(C(C)C)c1 ZINC000056961724 558887107 /nfs/dbraw/zinc/88/71/07/558887107.db2.gz SACNIGZYDTUHKB-UHFFFAOYSA-N 1 0 424.653 9.428 50 0 HKAARO FC(F)(F)c1cccc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1 ZINC000057050663 568823689 /nfs/dbraw/zinc/82/36/89/568823689.db2.gz BOHRAKGAVRMLCC-UHFFFAOYSA-N 1 0 400.444 5.060 50 0 HKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc2ccccc21 ZINC000057215313 558887740 /nfs/dbraw/zinc/88/77/40/558887740.db2.gz QBQWWLGCRVKBKK-UHFFFAOYSA-N 1 0 421.544 5.414 50 0 HKAARO O=C1C2=C(CCCC2)[C@@H]([NH2+][C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256210 568825249 /nfs/dbraw/zinc/82/52/49/568825249.db2.gz JDUZKWIQKHHAOK-DQEYMECFSA-N 1 0 420.984 5.589 50 0 HKAARO O=C1C2=C(CCCC2)[C@@H]([NH2+][C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256211 568825210 /nfs/dbraw/zinc/82/52/10/568825210.db2.gz JDUZKWIQKHHAOK-RPBOFIJWSA-N 1 0 420.984 5.589 50 0 HKAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256212 568825214 /nfs/dbraw/zinc/82/52/14/568825214.db2.gz JDUZKWIQKHHAOK-LOSJGSFVSA-N 1 0 420.984 5.589 50 0 HKAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256213 568825205 /nfs/dbraw/zinc/82/52/05/568825205.db2.gz JDUZKWIQKHHAOK-JWQCQUIFSA-N 1 0 420.984 5.589 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000057273680 568825745 /nfs/dbraw/zinc/82/57/45/568825745.db2.gz FOOBTUKRBSHMKG-QFIPXVFZSA-N 1 0 406.551 5.182 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000057273683 568825730 /nfs/dbraw/zinc/82/57/30/568825730.db2.gz FOOBTUKRBSHMKG-JOCHJYFZSA-N 1 0 406.551 5.182 50 0 HKAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057315492 568826864 /nfs/dbraw/zinc/82/68/64/568826864.db2.gz NUMDZEGSAWHFAY-NSHDSACASA-N 1 0 405.281 5.232 50 0 HKAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057315493 568826883 /nfs/dbraw/zinc/82/68/83/568826883.db2.gz NUMDZEGSAWHFAY-LLVKDONJSA-N 1 0 405.281 5.232 50 0 HKAARO CC1=C(C)[C@@H]([NH2+]C2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000057317518 568826898 /nfs/dbraw/zinc/82/68/98/568826898.db2.gz IRXHHOJTUFUDPU-CUNXSJBXSA-N 1 0 424.673 6.775 50 0 HKAARO COc1ccc(-c2csc3ncnc(NC[C@@H](c4cccs4)[NH+](C)C)c23)cc1 ZINC000057366530 568829532 /nfs/dbraw/zinc/82/95/32/568829532.db2.gz BRJDVGUKTAVXQW-KRWDZBQOSA-N 1 0 410.568 5.143 50 0 HKAARO COc1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)[NH+](C)C)c23)cc1 ZINC000057366532 568829498 /nfs/dbraw/zinc/82/94/98/568829498.db2.gz BRJDVGUKTAVXQW-QGZVFWFLSA-N 1 0 410.568 5.143 50 0 HKAARO c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c5ccccc5oc43)CC2)cc1 ZINC000057381099 568830638 /nfs/dbraw/zinc/83/06/38/568830638.db2.gz JYSGAOKHJSLNRE-UHFFFAOYSA-N 1 0 420.516 5.365 50 0 HKAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000057475479 568839243 /nfs/dbraw/zinc/83/92/43/568839243.db2.gz OVMAWJAEOOZATA-JOCHJYFZSA-N 1 0 410.949 5.068 50 0 HKAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000057475480 568839298 /nfs/dbraw/zinc/83/92/98/568839298.db2.gz OVMAWJAEOOZATA-QFIPXVFZSA-N 1 0 410.949 5.068 50 0 HKAARO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508736 568847520 /nfs/dbraw/zinc/84/75/20/568847520.db2.gz FUKZBLFDOFKNIJ-LIRRHRJNSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508737 568847439 /nfs/dbraw/zinc/84/74/39/568847439.db2.gz FUKZBLFDOFKNIJ-KUHUBIRLSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508742 568847449 /nfs/dbraw/zinc/84/74/49/568847449.db2.gz FUKZBLFDOFKNIJ-IFXJQAMLSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508747 568847415 /nfs/dbraw/zinc/84/74/15/568847415.db2.gz FUKZBLFDOFKNIJ-AUUYWEPGSA-N 1 0 415.356 5.217 50 0 HKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc2ccccc2o1 ZINC000057527444 568850809 /nfs/dbraw/zinc/85/08/09/568850809.db2.gz BKKAHZYWAXVVNB-UHFFFAOYSA-N 1 0 411.505 5.007 50 0 HKAARO CCOc1ccccc1CNc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057541756 558889271 /nfs/dbraw/zinc/88/92/71/558889271.db2.gz NGICEPWKPFUJQS-UHFFFAOYSA-N 1 0 401.554 5.020 50 0 HKAARO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593865 568854643 /nfs/dbraw/zinc/85/46/43/568854643.db2.gz LAWMZDSMQXGDAW-LIRRHRJNSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593871 568854666 /nfs/dbraw/zinc/85/46/66/568854666.db2.gz LAWMZDSMQXGDAW-KUHUBIRLSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593876 568854745 /nfs/dbraw/zinc/85/47/45/568854745.db2.gz LAWMZDSMQXGDAW-IFXJQAMLSA-N 1 0 415.356 5.217 50 0 HKAARO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593881 568854702 /nfs/dbraw/zinc/85/47/02/568854702.db2.gz LAWMZDSMQXGDAW-AUUYWEPGSA-N 1 0 415.356 5.217 50 0 HKAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 ZINC000057849690 568863278 /nfs/dbraw/zinc/86/32/78/568863278.db2.gz DMQBNTYHDYMJQD-RUZDIDTESA-N 1 0 418.585 5.285 50 0 HKAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 ZINC000057849697 568863447 /nfs/dbraw/zinc/86/34/47/568863447.db2.gz DMQBNTYHDYMJQD-VWLOTQADSA-N 1 0 418.585 5.285 50 0 HKAARO Cc1cc2oc(=O)cc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2cc1C(C)C ZINC000057945241 558891679 /nfs/dbraw/zinc/89/16/79/558891679.db2.gz OZKQTSVUAVJNML-UHFFFAOYSA-N 1 0 411.545 6.427 50 0 HKAARO Cc1scc(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1-c1ccc(C)cc1 ZINC000057992739 568873067 /nfs/dbraw/zinc/87/30/67/568873067.db2.gz IMRIJZHZABRDHQ-UHFFFAOYSA-N 1 0 411.014 6.316 50 0 HKAARO CCC[NH+]1CCN(C(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)CC1 ZINC000058011407 568875911 /nfs/dbraw/zinc/87/59/11/568875911.db2.gz MSGYKWVCANKJCL-UHFFFAOYSA-N 1 0 422.960 5.108 50 0 HKAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012663 568876131 /nfs/dbraw/zinc/87/61/31/568876131.db2.gz REYUDEWFDVRERN-SANMLTNESA-N 1 0 404.598 5.440 50 0 HKAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012665 568876207 /nfs/dbraw/zinc/87/62/07/568876207.db2.gz REYUDEWFDVRERN-AREMUKBSSA-N 1 0 404.598 5.440 50 0 HKAARO O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000058056728 568881501 /nfs/dbraw/zinc/88/15/01/568881501.db2.gz BYEQPGLBYBUJRJ-UHFFFAOYSA-N 1 0 413.974 5.193 50 0 HKAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000058088418 558898456 /nfs/dbraw/zinc/89/84/56/558898456.db2.gz IYHRUCUJHCXZKF-HXUWFJFHSA-N 1 0 403.570 5.181 50 0 HKAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000058088425 558898414 /nfs/dbraw/zinc/89/84/14/558898414.db2.gz IYHRUCUJHCXZKF-FQEVSTJZSA-N 1 0 403.570 5.181 50 0 HKAARO COc1cc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(F)F ZINC000058141909 558901614 /nfs/dbraw/zinc/90/16/14/558901614.db2.gz PZGIOXODGUVLPY-UHFFFAOYSA-N 1 0 420.283 5.637 50 0 HKAARO COc1ccc([C@H](NCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000058157835 558903413 /nfs/dbraw/zinc/90/34/13/558903413.db2.gz FZOBCYMTOFKSSW-MUUNZHRXSA-N 1 0 422.528 5.680 50 0 HKAARO COc1ccc([C@@H](NCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000058157836 558903337 /nfs/dbraw/zinc/90/33/37/558903337.db2.gz FZOBCYMTOFKSSW-NDEPHWFRSA-N 1 0 422.528 5.680 50 0 HKAARO Cc1c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)sc2cccc(F)c12 ZINC000058158592 558903817 /nfs/dbraw/zinc/90/38/17/558903817.db2.gz MWZCQPYCLAFDRO-UHFFFAOYSA-N 1 0 414.571 5.458 50 0 HKAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159645 558904611 /nfs/dbraw/zinc/90/46/11/558904611.db2.gz REVHXXAHXSLHJT-ROUUACIJSA-N 1 0 404.510 5.049 50 0 HKAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159647 558904647 /nfs/dbraw/zinc/90/46/47/558904647.db2.gz REVHXXAHXSLHJT-MSOLQXFVSA-N 1 0 404.510 5.049 50 0 HKAARO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159649 558904638 /nfs/dbraw/zinc/90/46/38/558904638.db2.gz REVHXXAHXSLHJT-ZWKOTPCHSA-N 1 0 404.510 5.049 50 0 HKAARO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159650 558904576 /nfs/dbraw/zinc/90/45/76/558904576.db2.gz REVHXXAHXSLHJT-QZTJIDSGSA-N 1 0 404.510 5.049 50 0 HKAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166232 558906929 /nfs/dbraw/zinc/90/69/29/558906929.db2.gz QCPBWWRLIAKLLI-DEOSSOPVSA-N 1 0 404.510 5.015 50 0 HKAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166233 558906909 /nfs/dbraw/zinc/90/69/09/558906909.db2.gz QCPBWWRLIAKLLI-XMMPIXPASA-N 1 0 404.510 5.015 50 0 HKAARO CC(C)([NH2+]Cc1ccc(OCc2cscn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058171952 558908250 /nfs/dbraw/zinc/90/82/50/558908250.db2.gz CCJVKQPXIOSXTO-UHFFFAOYSA-N 1 0 407.366 6.054 50 0 HKAARO CC(C)([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000058178010 558909922 /nfs/dbraw/zinc/90/99/22/558909922.db2.gz AZVFBNFYPCFINU-UHFFFAOYSA-N 1 0 406.140 5.764 50 0 HKAARO CC(C)c1nc(CCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cs1 ZINC000058297574 558917334 /nfs/dbraw/zinc/91/73/34/558917334.db2.gz NKWLDCDXKKETLU-UHFFFAOYSA-N 1 0 414.619 5.395 50 0 HKAARO CC(C)([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000058325134 558919630 /nfs/dbraw/zinc/91/96/30/558919630.db2.gz KIPMZIQJQAGXAX-UHFFFAOYSA-N 1 0 416.146 5.219 50 0 HKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+](C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000058476310 568920662 /nfs/dbraw/zinc/92/06/62/568920662.db2.gz SKHITEJNZGODQD-IVNHJSRESA-N 1 0 415.964 6.615 50 0 biogenic HKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+](C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000058476312 568920686 /nfs/dbraw/zinc/92/06/86/568920686.db2.gz SKHITEJNZGODQD-PBMMVTTKSA-N 1 0 415.964 6.615 50 0 biogenic HKAARO Cc1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](O)CCC1 ZINC000058980752 558931315 /nfs/dbraw/zinc/93/13/15/558931315.db2.gz DHAVVSHZLVKYGS-MUUNZHRXSA-N 1 0 424.588 6.022 50 0 HKAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000059392888 558935298 /nfs/dbraw/zinc/93/52/98/558935298.db2.gz MPHDMOFLSHZMDD-UHFFFAOYSA-N 1 0 411.501 5.123 50 0 HKAARO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000059647041 558937952 /nfs/dbraw/zinc/93/79/52/558937952.db2.gz OUXLGJKDPVYYFI-UHFFFAOYSA-N 1 0 419.956 5.223 50 0 HKAARO CN(C)[C@H]1OC2=C(C=C1c1ccccc1)CCC/C2=C\C(=C\[NH+](C)C)c1ccccc1 ZINC000059942402 558620376 /nfs/dbraw/zinc/62/03/76/558620376.db2.gz JNEITWJXNGTTIY-XLMHAHFNSA-N 1 0 412.577 5.955 50 0 HKAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nccc2ccccc21 ZINC000060322151 558836301 /nfs/dbraw/zinc/83/63/01/558836301.db2.gz FSRXIHUKORDYDE-UHFFFAOYSA-N 1 0 416.352 5.136 50 0 HKAARO C[C@@H](c1ccccc1)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339131 558852038 /nfs/dbraw/zinc/85/20/38/558852038.db2.gz IOAPCIOZTQWIJL-AWEZNQCLSA-N 1 0 402.325 6.017 50 0 HKAARO C[C@H](c1ccccc1)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339132 558852054 /nfs/dbraw/zinc/85/20/54/558852054.db2.gz IOAPCIOZTQWIJL-CQSZACIVSA-N 1 0 402.325 6.017 50 0 HKAARO Fc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343303 559054289 /nfs/dbraw/zinc/05/42/89/559054289.db2.gz XDVMUDPZAQHHCQ-INIZCTEOSA-N 1 0 405.395 5.274 50 0 HKAARO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343304 558857222 /nfs/dbraw/zinc/85/72/22/558857222.db2.gz XDVMUDPZAQHHCQ-MRXNPFEDSA-N 1 0 405.395 5.274 50 0 HKAARO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1ccccc1Cl)C1CCCCC1 ZINC000060378985 558942762 /nfs/dbraw/zinc/94/27/62/558942762.db2.gz WLHQTPNRTJQYGT-UHFFFAOYSA-N 1 0 406.979 5.046 50 0 HKAARO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)o1 ZINC000060892904 559165061 /nfs/dbraw/zinc/16/50/61/559165061.db2.gz NBLSVFLNVPYIJK-MRXNPFEDSA-N 1 0 404.352 5.434 50 0 HKAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccccc2Br)cc1 ZINC000063666740 569000937 /nfs/dbraw/zinc/00/09/37/569000937.db2.gz KVCAGNKNFJILAF-UHFFFAOYSA-N 1 0 420.354 5.616 50 0 HKAARO COc1ccccc1-c1nc2cc3c(cc2cc1C[NH2+]Cc1cccs1)CCC3 ZINC000064103162 558962080 /nfs/dbraw/zinc/96/20/80/558962080.db2.gz KEOMFNXWFMIXJT-UHFFFAOYSA-N 1 0 400.547 5.750 50 0 HKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]Cc2cccs2)cc1 ZINC000064157875 558962109 /nfs/dbraw/zinc/96/21/09/558962109.db2.gz FKUUAVKIQATYIG-UHFFFAOYSA-N 1 0 406.576 5.984 50 0 HKAARO Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NCC[NH+](C)C)cc1C ZINC000064588547 569068909 /nfs/dbraw/zinc/06/89/09/569068909.db2.gz CJHCJHRFKDEMEK-UHFFFAOYSA-N 1 0 403.551 5.025 50 0 HKAARO C[NH+](C)CCNC(=O)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000064588549 569068954 /nfs/dbraw/zinc/06/89/54/569068954.db2.gz DVOLABQVADCTRI-UHFFFAOYSA-N 1 0 409.942 5.061 50 0 HKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657437 569077137 /nfs/dbraw/zinc/07/71/37/569077137.db2.gz DNANTDMTUMRIDF-KDURUIRLSA-N 1 0 409.599 5.139 50 0 HKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657439 569077075 /nfs/dbraw/zinc/07/70/75/569077075.db2.gz DNANTDMTUMRIDF-OALUTQOASA-N 1 0 409.599 5.139 50 0 HKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657444 569077116 /nfs/dbraw/zinc/07/71/16/569077116.db2.gz DNANTDMTUMRIDF-RTBURBONSA-N 1 0 409.599 5.139 50 0 HKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCCC[NH+]1CCCCC1 ZINC000064657750 569077332 /nfs/dbraw/zinc/07/73/32/569077332.db2.gz WYSXTFMGNNTOQC-UHFFFAOYSA-N 1 0 415.990 5.015 50 0 HKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCC[NH+]1CCCCCC1 ZINC000064657764 569077355 /nfs/dbraw/zinc/07/73/55/569077355.db2.gz BABOATFEWOAGMC-UHFFFAOYSA-N 1 0 415.990 5.015 50 0 HKAARO C[C@@H](CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)[NH+]1CCCC1 ZINC000064657802 569077304 /nfs/dbraw/zinc/07/73/04/569077304.db2.gz UJFJCPWDGYKVQH-INIZCTEOSA-N 1 0 415.990 5.014 50 0 HKAARO C[C@H](CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)[NH+]1CCCC1 ZINC000064657804 569077346 /nfs/dbraw/zinc/07/73/46/569077346.db2.gz UJFJCPWDGYKVQH-MRXNPFEDSA-N 1 0 415.990 5.014 50 0 HKAARO O=C(c1cnc2ccccc2c1Nc1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000064658256 569076257 /nfs/dbraw/zinc/07/62/57/569076257.db2.gz RSPQWRGITNXUAV-UHFFFAOYSA-N 1 0 418.349 5.474 50 0 HKAARO O=C(c1cnc2ccccc2c1Nc1cccc(C(F)(F)F)c1)N1CCSCC1 ZINC000064658259 569076229 /nfs/dbraw/zinc/07/62/29/569076229.db2.gz UOGSVSXGKYGAKT-UHFFFAOYSA-N 1 0 417.456 5.186 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000064669717 569078858 /nfs/dbraw/zinc/07/88/58/569078858.db2.gz XWWNGWKDSGDBOK-SFHVURJKSA-N 1 0 423.988 5.404 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000064669719 569078896 /nfs/dbraw/zinc/07/88/96/569078896.db2.gz XWWNGWKDSGDBOK-GOSISDBHSA-N 1 0 423.988 5.404 50 0 HKAARO Cn1cc(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000064669768 569078892 /nfs/dbraw/zinc/07/88/92/569078892.db2.gz WDNQJYXKFTVAPR-UHFFFAOYSA-N 1 0 413.993 5.050 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000064669853 569078832 /nfs/dbraw/zinc/07/88/32/569078832.db2.gz JDUBCRNUAMUPQX-RUZDIDTESA-N 1 0 415.581 5.067 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000064669858 569078841 /nfs/dbraw/zinc/07/88/41/569078841.db2.gz JDUBCRNUAMUPQX-VWLOTQADSA-N 1 0 415.581 5.067 50 0 HKAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2o1 ZINC000064968380 569137983 /nfs/dbraw/zinc/13/79/83/569137983.db2.gz XFEZOEBSSKGJTJ-UHFFFAOYSA-N 1 0 419.569 5.026 50 0 HKAARO CC(C)c1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000065059990 569163861 /nfs/dbraw/zinc/16/38/61/569163861.db2.gz YSEZEYHCMFFKDP-HXUWFJFHSA-N 1 0 417.597 5.391 50 0 HKAARO CC(C)c1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000065059991 569163891 /nfs/dbraw/zinc/16/38/91/569163891.db2.gz YSEZEYHCMFFKDP-FQEVSTJZSA-N 1 0 417.597 5.391 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c2cc(Cl)ccc21 ZINC000065060046 569163988 /nfs/dbraw/zinc/16/39/88/569163988.db2.gz XFVKLEKKEQSWOP-UHFFFAOYSA-N 1 0 416.009 5.366 50 0 HKAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3C)CC2)c2cc(Cl)ccc21 ZINC000065060059 569163980 /nfs/dbraw/zinc/16/39/80/569163980.db2.gz PCPBOJPPQWJSOR-UHFFFAOYSA-N 1 0 423.988 5.151 50 0 HKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c2ccccc21 ZINC000065060116 569163866 /nfs/dbraw/zinc/16/38/66/569163866.db2.gz QYUTWOXOMBJEDD-UHFFFAOYSA-N 1 0 423.988 5.151 50 0 HKAARO CCc1ccc(CNC(=O)C2CC[NH+](Cc3c(C)n(CC)c4ccccc34)CC2)cc1 ZINC000065060139 569163990 /nfs/dbraw/zinc/16/39/90/569163990.db2.gz XJJRUSBYPWOYDI-UHFFFAOYSA-N 1 0 417.597 5.060 50 0 HKAARO C[C@@H](CCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1)[NH+]1CCCCCC1 ZINC000065097939 569176912 /nfs/dbraw/zinc/17/69/12/569176912.db2.gz ZUZUJSQWBBRMSO-KRWDZBQOSA-N 1 0 409.509 5.004 50 0 HKAARO C[C@H](CCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1)[NH+]1CCCCCC1 ZINC000065097940 569176909 /nfs/dbraw/zinc/17/69/09/569176909.db2.gz ZUZUJSQWBBRMSO-QGZVFWFLSA-N 1 0 409.509 5.004 50 0 HKAARO C[C@@H](CCNc1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1)[NH+]1CCCCCC1 ZINC000065097955 569176875 /nfs/dbraw/zinc/17/68/75/569176875.db2.gz OUECABLYBPDWSC-KRWDZBQOSA-N 1 0 409.509 5.004 50 0 HKAARO C[C@H](CCNc1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1)[NH+]1CCCCCC1 ZINC000065097956 569176879 /nfs/dbraw/zinc/17/68/79/569176879.db2.gz OUECABLYBPDWSC-QGZVFWFLSA-N 1 0 409.509 5.004 50 0 HKAARO COc1ccc(-c2cccc3c2CCN(C(=O)CC2CC[NH+](C(C)C)CC2)[C@@H]3C)cc1 ZINC000065293133 569218456 /nfs/dbraw/zinc/21/84/56/569218456.db2.gz YXHHHBYSMNNNTJ-HXUWFJFHSA-N 1 0 420.597 5.318 50 0 HKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000065322241 569224455 /nfs/dbraw/zinc/22/44/55/569224455.db2.gz ROXHNMGOKLEBMC-UHFFFAOYSA-N 1 0 404.558 5.239 50 0 HKAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)c1 ZINC000065322302 569224534 /nfs/dbraw/zinc/22/45/34/569224534.db2.gz NELKPZJGGYIAFZ-UHFFFAOYSA-N 1 0 404.558 5.410 50 0 HKAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322306 569224612 /nfs/dbraw/zinc/22/46/12/569224612.db2.gz ARDQWRRUQWJQDW-UHFFFAOYSA-N 1 0 404.558 5.410 50 0 HKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000065322309 569224584 /nfs/dbraw/zinc/22/45/84/569224584.db2.gz PPIHKEHMQWQSNM-UHFFFAOYSA-N 1 0 424.976 5.755 50 0 HKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322310 569224571 /nfs/dbraw/zinc/22/45/71/569224571.db2.gz DGXWASDBPGQVHL-UHFFFAOYSA-N 1 0 424.976 5.755 50 0 HKAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)cc1 ZINC000065322312 569224526 /nfs/dbraw/zinc/22/45/26/569224526.db2.gz ROLJTOBWGVLKQL-UHFFFAOYSA-N 1 0 420.557 5.110 50 0 HKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322319 569224624 /nfs/dbraw/zinc/22/46/24/569224624.db2.gz ZJVPNBVUMYYNLU-UHFFFAOYSA-N 1 0 408.521 5.241 50 0 HKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322374 569224566 /nfs/dbraw/zinc/22/45/66/569224566.db2.gz HBHFOFLFUCKXPL-UHFFFAOYSA-N 1 0 404.558 5.321 50 0 HKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322385 569224516 /nfs/dbraw/zinc/22/45/16/569224516.db2.gz OEPVUHZEMUWOTI-UHFFFAOYSA-N 1 0 410.587 5.382 50 0 HKAARO COc1ccc2nc3oc(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)cc3cc2c1 ZINC000065331053 569225229 /nfs/dbraw/zinc/22/52/29/569225229.db2.gz KBOOHPAVOPJGQY-UHFFFAOYSA-N 1 0 415.493 5.228 50 0 HKAARO COc1cc(-c2c(-c3ccccc3)ncn2Cc2ccccc2C[NH+](C)C)ccc1O ZINC000065403690 558977423 /nfs/dbraw/zinc/97/74/23/558977423.db2.gz QNFXXJYRCGTLGP-UHFFFAOYSA-N 1 0 413.521 5.041 50 0 HKAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469561 558977860 /nfs/dbraw/zinc/97/78/60/558977860.db2.gz WVCBZZULYCQIMB-YQRKEEQESA-N 1 0 412.533 5.463 50 0 HKAARO COc1ccc(/C=C/C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469566 558977975 /nfs/dbraw/zinc/97/79/75/558977975.db2.gz WVCBZZULYCQIMB-MGPWBUOISA-N 1 0 412.533 5.463 50 0 HKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065552463 569235122 /nfs/dbraw/zinc/23/51/22/569235122.db2.gz HJEZMHVMOYZYES-BGYRXZFFSA-N 1 0 415.622 5.287 50 0 HKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065552464 569235144 /nfs/dbraw/zinc/23/51/44/569235144.db2.gz HJEZMHVMOYZYES-PMACEKPBSA-N 1 0 415.622 5.287 50 0 HKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065552465 569235184 /nfs/dbraw/zinc/23/51/84/569235184.db2.gz HJEZMHVMOYZYES-WOJBJXKFSA-N 1 0 415.622 5.287 50 0 HKAARO CC1CCC([NH+]2CCC(N(C)C(=O)Nc3nnc(C4CCCCC4)s3)CC2)CC1 ZINC000065609478 569237506 /nfs/dbraw/zinc/23/75/06/569237506.db2.gz GAFCDLIOXYPJAG-UHFFFAOYSA-N 1 0 419.639 5.093 50 0 HKAARO Brc1cc(C[NH2+]Cc2csc3ccccc23)cc2c1OCCCO2 ZINC000065932975 569304190 /nfs/dbraw/zinc/30/41/90/569304190.db2.gz QCBABLLYPIQNES-UHFFFAOYSA-N 1 0 404.329 5.115 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000066054491 558983038 /nfs/dbraw/zinc/98/30/38/558983038.db2.gz XYNPYHXGMWJBLV-PUHUBZITSA-N 1 0 415.662 5.367 50 0 HKAARO CC(=O)c1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000067642337 558990812 /nfs/dbraw/zinc/99/08/12/558990812.db2.gz RLSCGFZRGRIAPS-VWLOTQADSA-N 1 0 419.613 5.331 50 0 HKAARO CC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000067642341 558990818 /nfs/dbraw/zinc/99/08/18/558990818.db2.gz RLSCGFZRGRIAPS-RUZDIDTESA-N 1 0 419.613 5.331 50 0 HKAARO Fc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000067713607 558991838 /nfs/dbraw/zinc/99/18/38/558991838.db2.gz HCZKBISMHMNDLB-UHFFFAOYSA-N 1 0 415.984 5.531 50 0 HKAARO c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000067724874 558991912 /nfs/dbraw/zinc/99/19/12/558991912.db2.gz NLZSWYWYVTZSIB-DEOSSOPVSA-N 1 0 419.613 5.063 50 0 HKAARO c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000067724879 558991812 /nfs/dbraw/zinc/99/18/12/558991812.db2.gz NLZSWYWYVTZSIB-XMMPIXPASA-N 1 0 419.613 5.063 50 0 HKAARO CC1(C)C[C@H](C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741362 558992092 /nfs/dbraw/zinc/99/20/92/558992092.db2.gz JYUKRIOOCMSIJQ-MRXNPFEDSA-N 1 0 401.934 5.112 50 0 HKAARO CC1(C)C[C@@H](C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741364 558992014 /nfs/dbraw/zinc/99/20/14/558992014.db2.gz JYUKRIOOCMSIJQ-INIZCTEOSA-N 1 0 401.934 5.112 50 0 HKAARO CN1CC[NH+](Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 ZINC000068243575 558862902 /nfs/dbraw/zinc/86/29/02/558862902.db2.gz QKKIWEILHCXECO-UHFFFAOYSA-N 1 0 421.548 5.126 50 0 in-vitro HKAARO Brc1ccc2scc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000068677063 558864168 /nfs/dbraw/zinc/86/41/68/558864168.db2.gz YCHSWSXPYKWCCN-UHFFFAOYSA-N 1 0 422.391 6.866 50 0 HKAARO Cc1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](O)CCC1 ZINC000068705049 558864372 /nfs/dbraw/zinc/86/43/72/558864372.db2.gz DHAVVSHZLVKYGS-NDEPHWFRSA-N 1 0 424.588 6.022 50 0 HKAARO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000069872007 571247863 /nfs/dbraw/zinc/24/78/63/571247863.db2.gz IENQGENAIWREFJ-NRFANRHFSA-N 1 0 408.508 5.099 50 0 HKAARO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000069872012 571247790 /nfs/dbraw/zinc/24/77/90/571247790.db2.gz IENQGENAIWREFJ-OAQYLSRUSA-N 1 0 408.508 5.099 50 0 HKAARO CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(-c2ccccc2)c1OC ZINC000070040785 571254952 /nfs/dbraw/zinc/25/49/52/571254952.db2.gz YBGOZAXIGCPGMZ-FQEVSTJZSA-N 1 0 424.585 5.003 50 0 HKAARO CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000070040786 571254910 /nfs/dbraw/zinc/25/49/10/571254910.db2.gz YBGOZAXIGCPGMZ-HXUWFJFHSA-N 1 0 424.585 5.003 50 0 HKAARO COc1ccc(C2=C(C[NH+](C)C)[C@@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000071405264 571293825 /nfs/dbraw/zinc/29/38/25/571293825.db2.gz DMSJJPVUPIAKFP-QFIPXVFZSA-N 1 0 415.533 5.395 50 0 HKAARO COc1ccc(C2=C(C[NH+](C)C)[C@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000071405265 571293799 /nfs/dbraw/zinc/29/37/99/571293799.db2.gz DMSJJPVUPIAKFP-JOCHJYFZSA-N 1 0 415.533 5.395 50 0 HKAARO Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCCCC2)cc1 ZINC000071405266 571293870 /nfs/dbraw/zinc/29/38/70/571293870.db2.gz ZRHOORHRLISHGV-RUZDIDTESA-N 1 0 401.575 6.478 50 0 HKAARO Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCCCC2)cc1 ZINC000071405267 571293840 /nfs/dbraw/zinc/29/38/40/571293840.db2.gz ZRHOORHRLISHGV-VWLOTQADSA-N 1 0 401.575 6.478 50 0 HKAARO COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCCCC2)cc1 ZINC000071405268 571293790 /nfs/dbraw/zinc/29/37/90/571293790.db2.gz XBAFRWPAEFXLCU-RUZDIDTESA-N 1 0 417.574 6.178 50 0 HKAARO COc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCCCC2)cc1 ZINC000071405269 571293816 /nfs/dbraw/zinc/29/38/16/571293816.db2.gz XBAFRWPAEFXLCU-VWLOTQADSA-N 1 0 417.574 6.178 50 0 HKAARO Cc1cc(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)c2ccccc2[nH+]1 ZINC000071405488 571293813 /nfs/dbraw/zinc/29/38/13/571293813.db2.gz WLYDUKDONMTQHU-UHFFFAOYSA-N 1 0 419.315 7.137 50 0 HKAARO CC[NH+](CC)CCCNc1ccc2c(c1)oc1c2cccc1I ZINC000071766928 558840770 /nfs/dbraw/zinc/84/07/70/558840770.db2.gz POMYMSKPBIPDQC-UHFFFAOYSA-N 1 0 422.310 5.334 50 0 HKAARO CC(C)N1C[C@H](CC[NH+]2CCCCCC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769354 558910821 /nfs/dbraw/zinc/91/08/21/558910821.db2.gz KACDNJPTZWHPLB-VWLOTQADSA-N 1 0 404.598 5.106 50 0 HKAARO CC(C)N1C[C@@H](CC[NH+]2CCCCCC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769355 558911151 /nfs/dbraw/zinc/91/11/51/558911151.db2.gz KACDNJPTZWHPLB-RUZDIDTESA-N 1 0 404.598 5.106 50 0 HKAARO CCCCC1([PH+](C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21 ZINC000071769601 558911157 /nfs/dbraw/zinc/91/11/57/558911157.db2.gz RUPKSXTUAJAOCE-UHFFFAOYSA-N 1 0 418.605 9.248 50 0 HKAARO C[C@]1([PH+](C2CCCCC2)C2CCCCC2)CC1(c1ccccc1)c1ccccc1 ZINC000071771830 558911320 /nfs/dbraw/zinc/91/13/20/558911320.db2.gz JDNAVZKVTWHWKB-MHZLTWQESA-N 1 0 404.578 8.282 50 0 HKAARO C[C@@]1([PH+](C2CCCCC2)C2CCCCC2)CC1(c1ccccc1)c1ccccc1 ZINC000071771835 558911348 /nfs/dbraw/zinc/91/13/48/558911348.db2.gz JDNAVZKVTWHWKB-HHHXNRCGSA-N 1 0 404.578 8.282 50 0 HKAARO CC(C)c1cc(C(C)C)c([PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1 ZINC000071771840 558911334 /nfs/dbraw/zinc/91/13/34/558911334.db2.gz DTSPXGRQYHLKLO-UHFFFAOYSA-N 1 0 400.631 8.829 50 0 HKAARO CN(C)c1ccccc1[PH+](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000071773615 558911566 /nfs/dbraw/zinc/91/15/66/558911566.db2.gz MILNYLCUWRWYBI-UHFFFAOYSA-N 1 0 421.609 6.797 50 0 HKAARO Fc1ccc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)c2ncccc12 ZINC000071889685 557297625 /nfs/dbraw/zinc/29/76/25/557297625.db2.gz KXZKSMYNRGHHJC-FQEVSTJZSA-N 1 0 414.484 5.194 50 0 HKAARO Fc1ccc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)c2ncccc12 ZINC000071889686 557297685 /nfs/dbraw/zinc/29/76/85/557297685.db2.gz KXZKSMYNRGHHJC-HXUWFJFHSA-N 1 0 414.484 5.194 50 0 HKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000071930752 558782087 /nfs/dbraw/zinc/78/20/87/558782087.db2.gz VERBSFKNVSGHEP-UHFFFAOYSA-N 1 0 403.957 5.790 50 0 HKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000072260004 558653579 /nfs/dbraw/zinc/65/35/79/558653579.db2.gz BPYOMVXWGUNMOQ-RUZDIDTESA-N 1 0 405.586 5.053 50 0 HKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000072260005 558653639 /nfs/dbraw/zinc/65/36/39/558653639.db2.gz BPYOMVXWGUNMOQ-VWLOTQADSA-N 1 0 405.586 5.053 50 0 HKAARO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000072260006 558653643 /nfs/dbraw/zinc/65/36/43/558653643.db2.gz OOWZNMIZBZRZST-VWLOTQADSA-N 1 0 405.586 5.053 50 0 HKAARO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000072260007 558653805 /nfs/dbraw/zinc/65/38/05/558653805.db2.gz OOWZNMIZBZRZST-RUZDIDTESA-N 1 0 405.586 5.053 50 0 HKAARO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000072265285 558666503 /nfs/dbraw/zinc/66/65/03/558666503.db2.gz OGANKKOANZVVNE-SANMLTNESA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000072265286 558666496 /nfs/dbraw/zinc/66/64/96/558666496.db2.gz OGANKKOANZVVNE-AREMUKBSSA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000072265287 558666536 /nfs/dbraw/zinc/66/65/36/558666536.db2.gz NDLMKWXDVOPKLC-SANMLTNESA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000072265288 558666444 /nfs/dbraw/zinc/66/64/44/558666444.db2.gz NDLMKWXDVOPKLC-AREMUKBSSA-N 1 0 413.565 5.551 50 0 HKAARO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290444 558723215 /nfs/dbraw/zinc/72/32/15/558723215.db2.gz HRVLHIPDPIWYIQ-QMMMGPOBSA-N 1 0 404.190 5.312 50 0 HKAARO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290445 558723357 /nfs/dbraw/zinc/72/33/57/558723357.db2.gz HRVLHIPDPIWYIQ-MRVPVSSYSA-N 1 0 404.190 5.312 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296317 558749079 /nfs/dbraw/zinc/74/90/79/558749079.db2.gz RDIJMBPAZWYVLH-DEOSSOPVSA-N 1 0 416.521 6.019 50 0 HKAARO O=C(Nc1ccccc1)c1ccc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296318 558749104 /nfs/dbraw/zinc/74/91/04/558749104.db2.gz RDIJMBPAZWYVLH-XMMPIXPASA-N 1 0 416.521 6.019 50 0 HKAARO Cc1nc(-c2ccccc2)ccc1C(=O)N(c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000072300882 558750859 /nfs/dbraw/zinc/75/08/59/558750859.db2.gz LMFDNYNPFUJLCW-UHFFFAOYSA-N 1 0 419.956 5.451 50 0 HKAARO CCC[N@H+](CCCc1nc2ccccc2o1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000072308187 558768879 /nfs/dbraw/zinc/76/88/79/558768879.db2.gz NWGBSFIDVOVFSN-UHFFFAOYSA-N 1 0 410.905 5.376 50 0 HKAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000072308894 558771650 /nfs/dbraw/zinc/77/16/50/558771650.db2.gz ITONPGMHGJITSW-NRFANRHFSA-N 1 0 410.949 5.436 50 0 HKAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000072308895 558771685 /nfs/dbraw/zinc/77/16/85/558771685.db2.gz ITONPGMHGJITSW-OAQYLSRUSA-N 1 0 410.949 5.436 50 0 HKAARO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cs1 ZINC000072309147 559162299 /nfs/dbraw/zinc/16/22/99/559162299.db2.gz DMGXXBZWCVIINN-JOCHJYFZSA-N 1 0 419.594 5.230 50 0 HKAARO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cs1 ZINC000072309148 559162277 /nfs/dbraw/zinc/16/22/77/559162277.db2.gz DMGXXBZWCVIINN-QFIPXVFZSA-N 1 0 419.594 5.230 50 0 HKAARO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000072407248 558977089 /nfs/dbraw/zinc/97/70/89/558977089.db2.gz WNJZIWJHFPFZIV-NRFANRHFSA-N 1 0 408.567 5.243 50 0 HKAARO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000072407249 558977060 /nfs/dbraw/zinc/97/70/60/558977060.db2.gz WNJZIWJHFPFZIV-OAQYLSRUSA-N 1 0 408.567 5.243 50 0 HKAARO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420427 558978278 /nfs/dbraw/zinc/97/82/78/558978278.db2.gz GYXRKDKDZBRQNC-NRFANRHFSA-N 1 0 403.551 5.486 50 0 HKAARO COC[C@H](c1ccccn1)[N@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420428 558978390 /nfs/dbraw/zinc/97/83/90/558978390.db2.gz GYXRKDKDZBRQNC-OAQYLSRUSA-N 1 0 403.551 5.486 50 0 HKAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421258 558978416 /nfs/dbraw/zinc/97/84/16/558978416.db2.gz CENKQUFNPDLTCK-QFIPXVFZSA-N 1 0 421.903 6.328 50 0 HKAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421259 558978343 /nfs/dbraw/zinc/97/83/43/558978343.db2.gz CENKQUFNPDLTCK-JOCHJYFZSA-N 1 0 421.903 6.328 50 0 HKAARO COc1cccc(-c2nc3cc(SC)ccc3cc2C[NH+]2CCC(OC)CC2)c1 ZINC000072424944 558978938 /nfs/dbraw/zinc/97/89/38/558978938.db2.gz LJISXLOCGQPLFA-UHFFFAOYSA-N 1 0 408.567 5.243 50 0 HKAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCC(F)(F)CC1 ZINC000072427250 558979117 /nfs/dbraw/zinc/97/91/17/558979117.db2.gz JJANTIMSLYZROO-UHFFFAOYSA-N 1 0 403.423 5.357 50 0 HKAARO Cc1cccc2cc(C[NH+]3CCC(Cn4ccnc4)CC3)c(-c3cccs3)nc12 ZINC000072463646 558983277 /nfs/dbraw/zinc/98/32/77/558983277.db2.gz GKCVHSTVAQKKAD-UHFFFAOYSA-N 1 0 402.567 5.380 50 0 HKAARO Cc1cccc2cc(C[NH+]3CCC(Cn4cccn4)CC3)c(-c3cccs3)nc12 ZINC000072469365 558983325 /nfs/dbraw/zinc/98/33/25/558983325.db2.gz SDWYNADHRQVXBU-UHFFFAOYSA-N 1 0 402.567 5.380 50 0 HKAARO FC1(F)CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072474412 558983768 /nfs/dbraw/zinc/98/37/68/558983768.db2.gz KPIXZNPDPDWNQV-UHFFFAOYSA-N 1 0 407.464 5.576 50 0 HKAARO Cc1cccc2cc(C[N@@H+]3CC[C@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 ZINC000072479199 558984100 /nfs/dbraw/zinc/98/41/00/558984100.db2.gz UKKRTGBZHHNBIV-RUZDIDTESA-N 1 0 400.547 5.365 50 0 HKAARO Cc1cccc2cc(C[N@@H+]3CC[C@@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 ZINC000072479200 558984109 /nfs/dbraw/zinc/98/41/09/558984109.db2.gz UKKRTGBZHHNBIV-VWLOTQADSA-N 1 0 400.547 5.365 50 0 HKAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)n1 ZINC000076954674 558998825 /nfs/dbraw/zinc/99/88/25/558998825.db2.gz DSXLYCMBGBIQMK-UHFFFAOYSA-N 1 0 419.956 5.561 50 0 HKAARO FC(F)(F)c1nnc(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC000077198052 571312712 /nfs/dbraw/zinc/31/27/12/571312712.db2.gz POEGZQGQSIGINU-UHFFFAOYSA-N 1 0 417.431 5.047 50 0 HKAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555913 559009219 /nfs/dbraw/zinc/00/92/19/559009219.db2.gz SSLGZKOZUXOPBQ-MRXNPFEDSA-N 1 0 414.958 5.304 50 0 HKAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555920 559009152 /nfs/dbraw/zinc/00/91/52/559009152.db2.gz SSLGZKOZUXOPBQ-INIZCTEOSA-N 1 0 414.958 5.304 50 0 HKAARO Cc1cc(C[NH2+]CCc2nncn2C(C)C)cc(C)c1OCc1ccccc1Cl ZINC000078823168 569420777 /nfs/dbraw/zinc/42/07/77/569420777.db2.gz HRTIEAMFZBOZCV-UHFFFAOYSA-N 1 0 412.965 5.041 50 0 HKAARO COc1cccc(C[NH2+]CCCCc2nc(-c3cccnc3)cs2)c1OC(C)C ZINC000078869807 569420900 /nfs/dbraw/zinc/42/09/00/569420900.db2.gz QUTLSYNGNSZGNA-UHFFFAOYSA-N 1 0 411.571 5.113 50 0 HKAARO FC(F)(F)Oc1ccccc1C[NH2+]CCCCc1nc(-c2cccnc2)cs1 ZINC000078869811 569420981 /nfs/dbraw/zinc/42/09/81/569420981.db2.gz MJNVWXUPUSOILR-UHFFFAOYSA-N 1 0 407.461 5.216 50 0 HKAARO Cc1nc(COc2ccc(C[NH2+][C@@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 ZINC000078869822 569420863 /nfs/dbraw/zinc/42/08/63/569420863.db2.gz LNWJIVKZQIPCCA-QHCPKHFHSA-N 1 0 420.582 5.784 50 0 HKAARO Cc1nc(COc2ccc(C[NH2+][C@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 ZINC000078869825 569420916 /nfs/dbraw/zinc/42/09/16/569420916.db2.gz LNWJIVKZQIPCCA-HSZRJFAPSA-N 1 0 420.582 5.784 50 0 HKAARO CCC(CC)(CC)[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000078969944 569422409 /nfs/dbraw/zinc/42/24/09/569422409.db2.gz QYHHJFVISTVKFX-UHFFFAOYSA-N 1 0 420.189 5.017 50 0 HKAARO CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000079016425 569424007 /nfs/dbraw/zinc/42/40/07/569424007.db2.gz MKRAPDMFYZFDMA-UHFFFAOYSA-N 1 0 413.974 5.061 50 0 HKAARO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052014 569425724 /nfs/dbraw/zinc/42/57/24/569425724.db2.gz CVFSFZOCGDMFRB-GHTZIAJQSA-N 1 0 420.475 5.012 50 0 HKAARO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052021 569425713 /nfs/dbraw/zinc/42/57/13/569425713.db2.gz CVFSFZOCGDMFRB-RXVVDRJESA-N 1 0 420.475 5.012 50 0 HKAARO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052024 560541505 /nfs/dbraw/zinc/54/15/05/560541505.db2.gz CVFSFZOCGDMFRB-WIYYLYMNSA-N 1 0 420.475 5.012 50 0 HKAARO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052031 569425676 /nfs/dbraw/zinc/42/56/76/569425676.db2.gz CVFSFZOCGDMFRB-NQIIRXRSSA-N 1 0 420.475 5.012 50 0 HKAARO CC(C)(C)[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1 ZINC000079065306 569426602 /nfs/dbraw/zinc/42/66/02/569426602.db2.gz VRNPMOQBNHFUHC-UHFFFAOYSA-N 1 0 400.320 5.300 50 0 HKAARO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067934 569426609 /nfs/dbraw/zinc/42/66/09/569426609.db2.gz XEQXWAKJRPHZNF-PKOBYXMFSA-N 1 0 417.500 5.286 50 0 HKAARO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067940 569426616 /nfs/dbraw/zinc/42/66/16/569426616.db2.gz XEQXWAKJRPHZNF-HKUYNNGSSA-N 1 0 417.500 5.286 50 0 HKAARO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)o1 ZINC000084514882 568950021 /nfs/dbraw/zinc/95/00/21/568950021.db2.gz NBLSVFLNVPYIJK-INIZCTEOSA-N 1 0 404.352 5.434 50 0 HKAARO Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600287 568952438 /nfs/dbraw/zinc/95/24/38/568952438.db2.gz JEJPMZBYSWWVOI-SFHVURJKSA-N 1 0 408.889 5.301 50 0 HKAARO Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600288 568952389 /nfs/dbraw/zinc/95/23/89/568952389.db2.gz JEJPMZBYSWWVOI-GOSISDBHSA-N 1 0 408.889 5.301 50 0 HKAARO CN1c2ccccc2C(C)(C)/C1=C/C=C(Cl)/C=C/C1=[N+](C)c2ccccc2C1(C)C ZINC000084651853 569270128 /nfs/dbraw/zinc/27/01/28/569270128.db2.gz HLNWRQMXNZMNPX-UHFFFAOYSA-N 1 0 418.004 6.683 50 0 HKAARO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)c1ccc2c(c1)nc(C)n2C ZINC000084740404 568957834 /nfs/dbraw/zinc/95/78/34/568957834.db2.gz OERSMIRFGJUCGK-VKGMXUHCSA-N 1 0 424.633 5.166 50 0 HKAARO CC[NH+](CC)Cc1ccc(-c2nnc(-c3cnc4onc(-c5ccccc5)c4c3)o2)o1 ZINC000084773474 568958822 /nfs/dbraw/zinc/95/88/22/568958822.db2.gz LYDOAWSOYFGGPS-UHFFFAOYSA-N 1 0 415.453 5.042 50 0 HKAARO CSc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000085388999 568984369 /nfs/dbraw/zinc/98/43/69/568984369.db2.gz AXTUZIIIXMUDOU-AFTIPQHOSA-N 1 0 409.624 5.118 50 0 HKAARO Cc1ccc2ccc3cc(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)[nH]c3c2n1 ZINC000085577774 569002390 /nfs/dbraw/zinc/00/23/90/569002390.db2.gz TZAABQRMZKDPDY-UHFFFAOYSA-N 1 0 412.537 5.509 50 0 HKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651193 569005892 /nfs/dbraw/zinc/00/58/92/569005892.db2.gz BZWCLLKLDDDSPA-LJQANCHMSA-N 1 0 424.520 5.095 50 0 HKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651194 569005904 /nfs/dbraw/zinc/00/59/04/569005904.db2.gz BZWCLLKLDDDSPA-IBGZPJMESA-N 1 0 424.520 5.095 50 0 HKAARO O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085879013 569009722 /nfs/dbraw/zinc/00/97/22/569009722.db2.gz GAUQXGMJINWQCW-BJKOFHAPSA-N 1 0 415.581 5.079 50 0 biogenic HKAARO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000089340280 569058615 /nfs/dbraw/zinc/05/86/15/569058615.db2.gz IQXZZPYGSBVMNM-UHFFFAOYSA-N 1 0 421.491 5.015 50 0 HKAARO COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000089438854 569060362 /nfs/dbraw/zinc/06/03/62/569060362.db2.gz RTZFSUDGWCCLIG-OAQYLSRUSA-N 1 0 415.459 5.511 50 0 HKAARO COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000089438859 569060387 /nfs/dbraw/zinc/06/03/87/569060387.db2.gz RTZFSUDGWCCLIG-NRFANRHFSA-N 1 0 415.459 5.511 50 0 HKAARO c1nc(-c2ccccc2)sc1CN1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834931 569266773 /nfs/dbraw/zinc/26/67/73/569266773.db2.gz ZAJOAPUCLDCJCJ-RPWUZVMVSA-N 1 0 403.595 5.439 50 0 HKAARO c1nc(-c2ccccc2)sc1CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834932 569266795 /nfs/dbraw/zinc/26/67/95/569266795.db2.gz ZAJOAPUCLDCJCJ-ZEQRLZLVSA-N 1 0 403.595 5.439 50 0 HKAARO Fc1ccc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000089866629 569267404 /nfs/dbraw/zinc/26/74/04/569267404.db2.gz RSLBCRLELMLXKJ-UHFFFAOYSA-N 1 0 403.423 5.105 50 0 HKAARO FC(F)(F)c1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000089866633 569267440 /nfs/dbraw/zinc/26/74/40/569267440.db2.gz CBQSIQWAQVPHMY-UHFFFAOYSA-N 1 0 419.878 5.984 50 0 HKAARO C[C@H](NC(=O)CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000089905563 569268343 /nfs/dbraw/zinc/26/83/43/569268343.db2.gz SVJDLEXKCPXNRJ-FQEVSTJZSA-N 1 0 421.585 5.047 50 0 HKAARO C[C@@H](NC(=O)CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000089905565 569268288 /nfs/dbraw/zinc/26/82/88/569268288.db2.gz SVJDLEXKCPXNRJ-HXUWFJFHSA-N 1 0 421.585 5.047 50 0 HKAARO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000089929865 569268938 /nfs/dbraw/zinc/26/89/38/569268938.db2.gz MFMUEKDIZDPSSH-GOSISDBHSA-N 1 0 412.961 5.008 50 0 HKAARO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000089929866 569268948 /nfs/dbraw/zinc/26/89/48/569268948.db2.gz MFMUEKDIZDPSSH-SFHVURJKSA-N 1 0 412.961 5.008 50 0 HKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992820 568593485 /nfs/dbraw/zinc/59/34/85/568593485.db2.gz ACIJKWWBIVPOHU-QHCPKHFHSA-N 1 0 419.569 5.452 50 0 HKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992821 568593478 /nfs/dbraw/zinc/59/34/78/568593478.db2.gz ACIJKWWBIVPOHU-HSZRJFAPSA-N 1 0 419.569 5.452 50 0 HKAARO c1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2OCc2ccccc2)cc1 ZINC000095377567 568603305 /nfs/dbraw/zinc/60/33/05/568603305.db2.gz ZHSOGYRMGVTOLP-UHFFFAOYSA-N 1 0 410.517 5.529 50 0 HKAARO COc1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C2CCCCC2)cc1OC ZINC000095389770 568603886 /nfs/dbraw/zinc/60/38/86/568603886.db2.gz XBYBAFKVNLSEKD-UHFFFAOYSA-N 1 0 407.514 5.089 50 0 HKAARO c1ccc(C(c2ccccc2)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095398221 559080999 /nfs/dbraw/zinc/08/09/99/559080999.db2.gz FLOADUFBZDDTPV-UHFFFAOYSA-N 1 0 418.584 6.183 50 0 in-vitro HKAARO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1OCc1cccs1 ZINC000095453936 568615865 /nfs/dbraw/zinc/61/58/65/568615865.db2.gz JYCSGMKWNWEISJ-UHFFFAOYSA-N 1 0 421.562 5.431 50 0 HKAARO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H](C)c3ccc(-c4cncnc4)cc3)CC2)cc1 ZINC000095454570 568616203 /nfs/dbraw/zinc/61/62/03/568616203.db2.gz NKSZGSHLKPEQQH-FUNONRDXSA-N 1 0 415.581 5.748 50 0 HKAARO CC(C)c1ccc(C2(O)CCC([NH2+][C@H](C)c3ccc(-c4cncnc4)cc3)CC2)cc1 ZINC000095454571 568616476 /nfs/dbraw/zinc/61/64/76/568616476.db2.gz NKSZGSHLKPEQQH-RHKGEPBNSA-N 1 0 415.581 5.748 50 0 HKAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455321 568617037 /nfs/dbraw/zinc/61/70/37/568617037.db2.gz XUFJLBAHDWLEKP-HXUWFJFHSA-N 1 0 409.603 5.005 50 0 HKAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455322 568616956 /nfs/dbraw/zinc/61/69/56/568616956.db2.gz XUFJLBAHDWLEKP-FQEVSTJZSA-N 1 0 409.603 5.005 50 0 HKAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1)CC(C)C ZINC000095459670 568619869 /nfs/dbraw/zinc/61/98/69/568619869.db2.gz ARERIIHRKBMZFD-UHFFFAOYSA-N 1 0 414.619 5.422 50 0 HKAARO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000095462782 568621632 /nfs/dbraw/zinc/62/16/32/568621632.db2.gz DLIHIGOQRLFVTN-XMMPIXPASA-N 1 0 422.525 5.814 50 0 HKAARO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000095462783 568621668 /nfs/dbraw/zinc/62/16/68/568621668.db2.gz DLIHIGOQRLFVTN-DEOSSOPVSA-N 1 0 422.525 5.814 50 0 HKAARO COc1ccc(CC[NH2+][C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC ZINC000095466805 568624433 /nfs/dbraw/zinc/62/44/33/568624433.db2.gz UKBFRJBAEDCKJD-QFIPXVFZSA-N 1 0 416.443 5.039 50 0 HKAARO COc1ccc(CC[NH2+][C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC ZINC000095466806 568624265 /nfs/dbraw/zinc/62/42/65/568624265.db2.gz UKBFRJBAEDCKJD-JOCHJYFZSA-N 1 0 416.443 5.039 50 0 HKAARO FC(F)(F)c1ccc(C(c2ccc(C(F)(F)F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000095470217 559081204 /nfs/dbraw/zinc/08/12/04/559081204.db2.gz BDTBVAKNPRGTNR-UHFFFAOYSA-N 1 0 402.382 5.109 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+]Cc1ccco1 ZINC000095472394 568627896 /nfs/dbraw/zinc/62/78/96/568627896.db2.gz GDPWFJOFENBHTL-UHFFFAOYSA-N 1 0 400.434 5.101 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3ccco3)cc(=O)oc2c1C ZINC000095472747 568628132 /nfs/dbraw/zinc/62/81/32/568628132.db2.gz PPYGZGIWLTVMRL-UHFFFAOYSA-N 1 0 414.461 5.409 50 0 HKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3ccco3)c2cc1C ZINC000095474354 568629230 /nfs/dbraw/zinc/62/92/30/568629230.db2.gz RDFDEQHBJYNWFD-UHFFFAOYSA-N 1 0 414.461 5.409 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+]Cc1ccccc1 ZINC000095474385 568629421 /nfs/dbraw/zinc/62/94/21/568629421.db2.gz TXUYVYGCPPRREP-UHFFFAOYSA-N 1 0 410.473 5.508 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]C3CCCCC3)cc(=O)oc2c1C ZINC000095475304 568629856 /nfs/dbraw/zinc/62/98/56/568629856.db2.gz YREAHTBRPTUPKF-UHFFFAOYSA-N 1 0 416.521 5.949 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[N@H+](C)Cc1ccccc1 ZINC000095475512 568630084 /nfs/dbraw/zinc/63/00/84/568630084.db2.gz ZDDIYWGIPOJRSW-UHFFFAOYSA-N 1 0 424.500 5.850 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3ccccc3)cc(=O)oc2c1C ZINC000095475818 568630118 /nfs/dbraw/zinc/63/01/18/568630118.db2.gz LAIACZNLJCSANG-UHFFFAOYSA-N 1 0 424.500 5.816 50 0 HKAARO Cc1ncc(C[NH+]2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475992 568630340 /nfs/dbraw/zinc/63/03/40/568630340.db2.gz AFXCWTHVWNFOOG-UHFFFAOYSA-N 1 0 413.315 5.116 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+]C1CCCCC1 ZINC000095476633 568630385 /nfs/dbraw/zinc/63/03/85/568630385.db2.gz QINIDVJFCBEOIZ-UHFFFAOYSA-N 1 0 402.494 5.640 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]C3CCCC3)cc(=O)oc2c1C ZINC000095477131 568630727 /nfs/dbraw/zinc/63/07/27/568630727.db2.gz OWCGNLVZBYQELB-UHFFFAOYSA-N 1 0 402.494 5.559 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCCCC3)cc(=O)oc2c1C ZINC000095478138 568631540 /nfs/dbraw/zinc/63/15/40/568631540.db2.gz VEORTQFUYGEBRW-UHFFFAOYSA-N 1 0 416.521 5.902 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH+]1CCCCCC1 ZINC000095478493 568631627 /nfs/dbraw/zinc/63/16/27/568631627.db2.gz RXTHMJLPRCKRLX-UHFFFAOYSA-N 1 0 402.494 5.594 50 0 HKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCCC3)cc(=O)oc2c1C ZINC000095480218 568633205 /nfs/dbraw/zinc/63/32/05/568633205.db2.gz NTRRXEZASZWMIL-UHFFFAOYSA-N 1 0 402.494 5.512 50 0 HKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCCCC3)c2cc1C ZINC000095480407 568633110 /nfs/dbraw/zinc/63/31/10/568633110.db2.gz ZCPDLONOGCANMK-UHFFFAOYSA-N 1 0 416.521 5.902 50 0 HKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3ccccc3)c2cc1C ZINC000095480528 568633103 /nfs/dbraw/zinc/63/31/03/568633103.db2.gz ZLFRCBNGYXEZBS-UHFFFAOYSA-N 1 0 424.500 5.816 50 0 HKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCCC3)c2cc1C ZINC000095480809 568633455 /nfs/dbraw/zinc/63/34/55/568633455.db2.gz VQLLGYFPSUBQDF-UHFFFAOYSA-N 1 0 402.494 5.512 50 0 HKAARO Oc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000095615566 569278501 /nfs/dbraw/zinc/27/85/01/569278501.db2.gz LWPMUMIMHKHREW-UHFFFAOYSA-N 1 0 421.500 5.397 50 0 HKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000095642818 568640686 /nfs/dbraw/zinc/64/06/86/568640686.db2.gz FKDPPJLDRHYDSM-UHFFFAOYSA-N 1 0 422.594 5.029 50 0 HKAARO CCN(CC)c1ccc2cc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)c(=O)oc2c1 ZINC000095909203 559088925 /nfs/dbraw/zinc/08/89/25/559088925.db2.gz XPKDBFZWFRWOQX-UHFFFAOYSA-N 1 0 401.530 5.359 50 0 HKAARO CCN1c2ccccc2C=CC1=C/C=C(Cl)\C=C/c1ccc2ccccc2[n+]1CC ZINC000095913136 569279246 /nfs/dbraw/zinc/27/92/46/569279246.db2.gz OHSOQUQZMBMVQL-UHFFFAOYSA-N 1 0 413.972 6.720 50 0 HKAARO COc1ccc(/C(=C(/Cl)c2ccccc2)c2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000095918090 559088935 /nfs/dbraw/zinc/08/89/35/559088935.db2.gz YAHYAXVYYGDUMO-QPLCGJKRSA-N 1 0 421.968 6.181 50 0 HKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918155 559088967 /nfs/dbraw/zinc/08/89/67/559088967.db2.gz NQMKLEUBUQOAFG-UHFFFAOYSA-N 1 0 419.515 6.546 50 0 HKAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cn4cc(Br)ccc4n3)s2)cc1 ZINC000095953190 568668079 /nfs/dbraw/zinc/66/80/79/568668079.db2.gz QNVLOJHZSIHAEL-UHFFFAOYSA-N 1 0 416.319 5.254 50 0 HKAARO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003647 568682176 /nfs/dbraw/zinc/68/21/76/568682176.db2.gz QPJSOFYMMQJRNK-FIPFOOKPSA-N 1 0 413.970 5.128 50 0 HKAARO C[S@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003648 568682078 /nfs/dbraw/zinc/68/20/78/568682078.db2.gz QPJSOFYMMQJRNK-NEKDWFFYSA-N 1 0 413.970 5.128 50 0 HKAARO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003649 568682117 /nfs/dbraw/zinc/68/21/17/568682117.db2.gz QPJSOFYMMQJRNK-LXFBAYGMSA-N 1 0 413.970 5.128 50 0 HKAARO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003650 568682185 /nfs/dbraw/zinc/68/21/85/568682185.db2.gz QPJSOFYMMQJRNK-QDPGVEIFSA-N 1 0 413.970 5.128 50 0 HKAARO CN(C)C(=O)Sc1cccc(C[NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000096006936 568683256 /nfs/dbraw/zinc/68/32/56/568683256.db2.gz ZAGCEXSTCDYHEK-HSZRJFAPSA-N 1 0 418.562 5.741 50 0 HKAARO CN(C)C(=O)Sc1cccc(C[NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000096006937 568683042 /nfs/dbraw/zinc/68/30/42/568683042.db2.gz ZAGCEXSTCDYHEK-QHCPKHFHSA-N 1 0 418.562 5.741 50 0 HKAARO CCCSc1ccccc1N1CC[NH+](CCCCC[C@H](O)c2ccccc2)CC1 ZINC000096026836 568686775 /nfs/dbraw/zinc/68/67/75/568686775.db2.gz XYLSUQUNRRPTNI-DEOSSOPVSA-N 1 0 412.643 5.605 50 0 HKAARO CCCSc1ccccc1N1CC[NH+](CCCCC[C@@H](O)c2ccccc2)CC1 ZINC000096026837 568686794 /nfs/dbraw/zinc/68/67/94/568686794.db2.gz XYLSUQUNRRPTNI-XMMPIXPASA-N 1 0 412.643 5.605 50 0 HKAARO CCCSc1ccccc1N1CC[NH+](CCC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000096026889 568686612 /nfs/dbraw/zinc/68/66/12/568686612.db2.gz IYMOODJKUHAUQN-QFIPXVFZSA-N 1 0 419.034 5.478 50 0 HKAARO CCCSc1ccccc1N1CC[NH+](CCC[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000096026890 568686781 /nfs/dbraw/zinc/68/67/81/568686781.db2.gz IYMOODJKUHAUQN-JOCHJYFZSA-N 1 0 419.034 5.478 50 0 HKAARO CC(C)[NH+](CCOC(=O)c1ccccc1Nc1cccc(Cl)c1Cl)C(C)C ZINC000096027007 568686752 /nfs/dbraw/zinc/68/67/52/568686752.db2.gz BIEUUXAZRGMWAG-UHFFFAOYSA-N 1 0 409.357 6.013 50 0 HKAARO O[C@@]1(c2ccccc2)CCC[N@H+](CCCOc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027087 568686718 /nfs/dbraw/zinc/68/67/18/568686718.db2.gz WCRLWBVDNJNKFA-KAYWLYCHSA-N 1 0 401.550 5.050 50 0 HKAARO O[C@@]1(c2ccccc2)CCC[N@H+](CCCOc2ccccc2)[C@H]1Cc1ccccc1 ZINC000096027088 568686632 /nfs/dbraw/zinc/68/66/32/568686632.db2.gz WCRLWBVDNJNKFA-RRPNLBNLSA-N 1 0 401.550 5.050 50 0 HKAARO O[C@]1(c2ccccc2)CCC[N@H+](CCCOc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027089 568686579 /nfs/dbraw/zinc/68/65/79/568686579.db2.gz WCRLWBVDNJNKFA-SXOMAYOGSA-N 1 0 401.550 5.050 50 0 HKAARO O[C@]1(c2ccccc2)CCC[N@H+](CCCOc2ccccc2)[C@H]1Cc1ccccc1 ZINC000096027090 568686816 /nfs/dbraw/zinc/68/68/16/568686816.db2.gz WCRLWBVDNJNKFA-SVBPBHIXSA-N 1 0 401.550 5.050 50 0 HKAARO CC[NH+](CC)CCOC(=O)c1ccccc1Nc1c(Cl)ccc(Cl)c1Cl ZINC000096027167 568686760 /nfs/dbraw/zinc/68/67/60/568686760.db2.gz FZXMVYIESBCPRP-UHFFFAOYSA-N 1 0 415.748 5.889 50 0 HKAARO Brc1ccc(OCC[NH+]2CCC(CCCc3ccccc3)CC2)cc1 ZINC000096027235 568686670 /nfs/dbraw/zinc/68/66/70/568686670.db2.gz ZDXDBONHXMXLGE-UHFFFAOYSA-N 1 0 402.376 5.563 50 0 HKAARO FC(F)(F)c1cccc([C@H](c2ccccc2)[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000096027767 568686744 /nfs/dbraw/zinc/68/67/44/568686744.db2.gz ZYIUEDKQQGSDGP-DEOSSOPVSA-N 1 0 411.467 6.338 50 0 HKAARO FC(F)(F)c1cccc([C@@H](c2ccccc2)[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000096027768 568686685 /nfs/dbraw/zinc/68/66/85/568686685.db2.gz ZYIUEDKQQGSDGP-XMMPIXPASA-N 1 0 411.467 6.338 50 0 HKAARO CC(C)[NH+](C[C@@H](COc1ccccc1)OC(=O)Cc1cccc2ccccc21)C(C)C ZINC000096027894 568687003 /nfs/dbraw/zinc/68/70/03/568687003.db2.gz QQNMVSNIBAPUGD-VWLOTQADSA-N 1 0 419.565 5.492 50 0 HKAARO CC(C)[NH+](C[C@H](COc1ccccc1)OC(=O)Cc1cccc2ccccc21)C(C)C ZINC000096027895 568687030 /nfs/dbraw/zinc/68/70/30/568687030.db2.gz QQNMVSNIBAPUGD-RUZDIDTESA-N 1 0 419.565 5.492 50 0 HKAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+]CCc1ccccc1 ZINC000096114849 568694551 /nfs/dbraw/zinc/69/45/51/568694551.db2.gz FFQHFHWNAROXTP-UHFFFAOYSA-N 1 0 424.500 5.550 50 0 biogenic HKAARO Cc1ncc(C[NH+]2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116463 568695934 /nfs/dbraw/zinc/69/59/34/568695934.db2.gz ODGOXZVVDBWWQX-UHFFFAOYSA-N 1 0 414.505 5.384 50 0 biogenic HKAARO Cc1ncc(C[NH2+]CC(C)C)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116516 568696194 /nfs/dbraw/zinc/69/61/94/568696194.db2.gz IXNKSCXNBLUFNH-UHFFFAOYSA-N 1 0 402.494 5.144 50 0 biogenic HKAARO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 ZINC000096182533 568702718 /nfs/dbraw/zinc/70/27/18/568702718.db2.gz JMKSSIBGGHHOKK-SANMLTNESA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc(NC(=O)N2CC[NH+]([C@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 ZINC000096182535 568702815 /nfs/dbraw/zinc/70/28/15/568702815.db2.gz JMKSSIBGGHHOKK-AREMUKBSSA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000096183720 568703138 /nfs/dbraw/zinc/70/31/38/568703138.db2.gz HJYPTHMUOQNMLZ-MUUNZHRXSA-N 1 0 412.577 5.170 50 0 HKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000096183721 568702982 /nfs/dbraw/zinc/70/29/82/568702982.db2.gz HJYPTHMUOQNMLZ-NDEPHWFRSA-N 1 0 412.577 5.170 50 0 HKAARO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183764 568702897 /nfs/dbraw/zinc/70/28/97/568702897.db2.gz ZRMDWVWBTYHJFS-SANMLTNESA-N 1 0 413.565 5.551 50 0 HKAARO Cc1cccc(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183766 568702955 /nfs/dbraw/zinc/70/29/55/568702955.db2.gz ZRMDWVWBTYHJFS-AREMUKBSSA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000096183770 568703117 /nfs/dbraw/zinc/70/31/17/568703117.db2.gz JBFQTKFVWRFQOC-AREMUKBSSA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000096183772 568702860 /nfs/dbraw/zinc/70/28/60/568702860.db2.gz JBFQTKFVWRFQOC-SANMLTNESA-N 1 0 413.565 5.551 50 0 HKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)N(C)Cc3ccccc3)o2)s1 ZINC000096280608 568717953 /nfs/dbraw/zinc/71/79/53/568717953.db2.gz PDJIJZBTECACHH-UHFFFAOYSA-N 1 0 424.610 5.970 50 0 HKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)Nc3ccc(C)cc3)o2)s1 ZINC000096280610 568718055 /nfs/dbraw/zinc/71/80/55/568718055.db2.gz CDWQEKCGABJFBT-UHFFFAOYSA-N 1 0 410.583 6.259 50 0 HKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000096281062 568718481 /nfs/dbraw/zinc/71/84/81/568718481.db2.gz HRVKVBRISWRVEG-UHFFFAOYSA-N 1 0 420.578 5.377 50 0 HKAARO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000096281073 560848333 /nfs/dbraw/zinc/84/83/33/560848333.db2.gz RZUSPHVXOYATJB-UHFFFAOYSA-N 1 0 408.586 5.356 50 0 HKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2ccccc2C)Cc2ccccc2)c1 ZINC000096299846 568723095 /nfs/dbraw/zinc/72/30/95/568723095.db2.gz QUQYVGLCDDJOLT-UHFFFAOYSA-N 1 0 410.561 6.056 50 0 HKAARO CCCCc1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300407 560559471 /nfs/dbraw/zinc/55/94/71/560559471.db2.gz DKUXGTQDBWMRAX-UHFFFAOYSA-N 1 0 424.588 6.382 50 0 HKAARO Cc1cc2[nH]c(C(=O)Nc3c(F)cc(F)cc3F)c(C[NH+]3CCCCC3)c2s1 ZINC000096363783 568739582 /nfs/dbraw/zinc/73/95/82/568739582.db2.gz XWNMBVVMHAWFIR-UHFFFAOYSA-N 1 0 407.461 5.193 50 0 HKAARO CSc1ccc(/C=C2/C[N@H+](C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000096562117 568760260 /nfs/dbraw/zinc/76/02/60/568760260.db2.gz AXTUZIIIXMUDOU-CICJMKGZSA-N 1 0 409.624 5.118 50 0 HKAARO CCCOc1ccccc1C(OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1OCCC ZINC000096576721 568761427 /nfs/dbraw/zinc/76/14/27/568761427.db2.gz JQAFVJHDQJYSII-CBQGHPETSA-N 1 0 423.597 5.995 50 0 HKAARO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000096580293 568762275 /nfs/dbraw/zinc/76/22/75/568762275.db2.gz UMJSFANUVAAKNQ-UHFFFAOYSA-N 1 0 410.561 5.359 50 0 HKAARO CCCNc1nc(NCCC)c(/C=C/C(C)(C)c2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000096592494 568763303 /nfs/dbraw/zinc/76/33/03/568763303.db2.gz FANSPLGUMRZFAY-OUKQBFOZSA-N 1 0 420.523 6.439 50 0 HKAARO O[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000096592520 568763234 /nfs/dbraw/zinc/76/32/34/568763234.db2.gz HEXSYESDUNEATB-QFIPXVFZSA-N 1 0 407.966 6.291 50 0 HKAARO O[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000096592521 568763347 /nfs/dbraw/zinc/76/33/47/568763347.db2.gz HEXSYESDUNEATB-JOCHJYFZSA-N 1 0 407.966 6.291 50 0 HKAARO CCCOc1ccc(C[NH+]2CCC(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000096602306 558981341 /nfs/dbraw/zinc/98/13/41/558981341.db2.gz XGWCMYSTTPKRKW-UHFFFAOYSA-N 1 0 405.460 5.589 50 0 HKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000097112667 558995036 /nfs/dbraw/zinc/99/50/36/558995036.db2.gz HNMJUGNQEMBHRQ-UHFFFAOYSA-N 1 0 407.583 5.212 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000097973034 569359221 /nfs/dbraw/zinc/35/92/21/569359221.db2.gz BADUKLRFTFBRSD-MFRNJXNGSA-N 1 0 415.662 5.760 50 0 HKAARO Cc1c(CCOC(=O)c2ccc(Cl)cc2)sc[n+]1Cc1ccc(Cl)cc1 ZINC000098086551 559065156 /nfs/dbraw/zinc/06/51/56/559065156.db2.gz DONLYCSZUKDKAA-UHFFFAOYSA-N 1 0 407.342 5.099 50 0 HKAARO CCCC[C@@H](CC)COC[C@H](C[NH+](C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000100706351 569359158 /nfs/dbraw/zinc/35/91/58/569359158.db2.gz OXQSXJOQFXUCQG-JBXUNAHCSA-N 1 0 415.703 6.035 50 0 HKAARO CCC[N@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100744249 559261595 /nfs/dbraw/zinc/26/15/95/559261595.db2.gz RJLPRFHBCYYQNW-AZGAKELHSA-N 1 0 409.614 6.286 50 0 biogenic HKAARO CCC[N@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100744251 521670534 /nfs/dbraw/zinc/67/05/34/521670534.db2.gz RJLPRFHBCYYQNW-AHWVRZQESA-N 1 0 409.614 6.286 50 0 biogenic HKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccncc3)ccc2[nH+]c2c1CCCC2 ZINC000101193496 560789146 /nfs/dbraw/zinc/78/91/46/560789146.db2.gz DRWAXPVIYIMQGA-UHFFFAOYSA-N 1 0 424.504 5.513 50 0 HKAARO c1ccc(COc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000101646098 569008174 /nfs/dbraw/zinc/00/81/74/569008174.db2.gz VGVHPQNRDXFRDX-KAYWLYCHSA-N 1 0 404.598 5.495 50 0 HKAARO COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659420 559147578 /nfs/dbraw/zinc/14/75/78/559147578.db2.gz VXHVUKKYMOSWJM-FLAUGNSNSA-N 1 0 401.550 5.612 50 0 HKAARO CC(C)(C)[N@H+](C/C(N)=C/c1nc2ccccc2n1Cc1ccccc1)Cc1ccccc1 ZINC000101921676 559148478 /nfs/dbraw/zinc/14/84/78/559148478.db2.gz NAPMVUFPDJKXTH-MOHJPFBDSA-N 1 0 424.592 5.685 50 0 HKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696864 560731210 /nfs/dbraw/zinc/73/12/10/560731210.db2.gz FFNLFWCXKWZQKH-ADPKEXQPSA-N 1 0 420.424 6.963 50 0 HKAARO COc1ccccc1[C@]1(CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 ZINC000102708082 560820788 /nfs/dbraw/zinc/82/07/88/560820788.db2.gz DZYXLXFXKIWHKF-BTZRARBUSA-N 1 0 416.005 6.162 50 0 HKAARO C[C@H](c1ccccc1)n1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc2ccsc21 ZINC000103066809 560837398 /nfs/dbraw/zinc/83/73/98/560837398.db2.gz JMLLHABPWOTYDS-RTBURBONSA-N 1 0 409.599 5.306 50 0 HKAARO C[C@H](c1ccccc1)n1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc2ccsc21 ZINC000103066811 560852923 /nfs/dbraw/zinc/85/29/23/560852923.db2.gz JMLLHABPWOTYDS-RBUKOAKNSA-N 1 0 409.599 5.306 50 0 HKAARO COc1ccc(C=C2CCCC3=C2NC(SC)=N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103145326 569050426 /nfs/dbraw/zinc/05/04/26/569050426.db2.gz NMVYRRAIZSWJQY-JVCJXORTSA-N 1 0 406.551 5.589 50 0 HKAARO COc1ccc(C=C2CCCC3=C2NC(SC)=N[C@H]3c2ccc(OC)cc2)cc1 ZINC000103145329 569050428 /nfs/dbraw/zinc/05/04/28/569050428.db2.gz NMVYRRAIZSWJQY-BBXQBHCASA-N 1 0 406.551 5.589 50 0 HKAARO COc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000103363190 560840861 /nfs/dbraw/zinc/84/08/61/560840861.db2.gz UMCNQFZUFPNORF-VGSWGCGISA-N 1 0 407.514 5.432 50 0 HKAARO C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103414024 560842092 /nfs/dbraw/zinc/84/20/92/560842092.db2.gz GVHRIGWZAPAXDC-NTLWEQJWSA-N 1 0 409.599 5.129 50 0 HKAARO C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103414027 560842086 /nfs/dbraw/zinc/84/20/86/560842086.db2.gz GVHRIGWZAPAXDC-WIRSXHRWSA-N 1 0 409.599 5.129 50 0 HKAARO C[C@@H](NC(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000103438320 560842363 /nfs/dbraw/zinc/84/23/63/560842363.db2.gz QVMKACNLTBORMR-FGSXEWAUSA-N 1 0 417.578 5.217 50 0 HKAARO O[C@H](C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)CO[C@H]1CCCc2ccccc21 ZINC000103451683 560842454 /nfs/dbraw/zinc/84/24/54/560842454.db2.gz GPFNJXKIGXNQPX-JCTONOIOSA-N 1 0 411.542 5.021 50 0 HKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000104092712 560847996 /nfs/dbraw/zinc/84/79/96/560847996.db2.gz SECHNLXDFGYFOW-DNVCBOLYSA-N 1 0 406.382 5.307 50 0 HKAARO O[C@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000104984278 569009751 /nfs/dbraw/zinc/00/97/51/569009751.db2.gz XOZTZVWOEUGXCB-ILBGXUMGSA-N 1 0 420.940 5.069 50 0 HKAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000105007769 559161985 /nfs/dbraw/zinc/16/19/85/559161985.db2.gz REACVQCBRXOSLI-KSFYIVLOSA-N 1 0 413.924 5.031 50 0 HKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013040 560860227 /nfs/dbraw/zinc/86/02/27/560860227.db2.gz VITAVNHDPDJDSG-PMACEKPBSA-N 1 0 407.558 5.169 50 0 HKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013046 560860215 /nfs/dbraw/zinc/86/02/15/560860215.db2.gz VITAVNHDPDJDSG-UXHICEINSA-N 1 0 407.558 5.169 50 0 HKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000105018875 560860230 /nfs/dbraw/zinc/86/02/30/560860230.db2.gz HBDNNOHQOVOIDR-AZGAKELHSA-N 1 0 424.604 5.490 50 0 HKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000105018879 560860237 /nfs/dbraw/zinc/86/02/37/560860237.db2.gz HBDNNOHQOVOIDR-AOYPEHQESA-N 1 0 424.604 5.490 50 0 HKAARO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](CC(C)C)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041660 560860557 /nfs/dbraw/zinc/86/05/57/560860557.db2.gz CRIVRBIAIWPBOR-NOZRDPDXSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@@H+](CC(C)C)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041664 560860516 /nfs/dbraw/zinc/86/05/16/560860516.db2.gz CRIVRBIAIWPBOR-ZCYQVOJMSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042040 571314333 /nfs/dbraw/zinc/31/43/33/571314333.db2.gz VBFKWXPKINHAET-OZXSUGGESA-N 1 0 415.581 5.090 50 0 HKAARO Cc1ccccc1[C@@H]1C[N@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042437 560860495 /nfs/dbraw/zinc/86/04/95/560860495.db2.gz IVARIUQLHPJFMW-WIOPSUGQSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000105045371 560860786 /nfs/dbraw/zinc/86/07/86/560860786.db2.gz XCHJUJCJWWCKQH-GDKKVTFASA-N 1 0 412.577 5.478 50 0 HKAARO CC[C@H](C)NC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000105046906 559162128 /nfs/dbraw/zinc/16/21/28/559162128.db2.gz SDXUVDJSRWGKQT-WMQCIHAUSA-N 1 0 416.968 5.308 50 0 HKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000105046910 559162088 /nfs/dbraw/zinc/16/20/88/559162088.db2.gz SDXUVDJSRWGKQT-IOMROCGXSA-N 1 0 416.968 5.308 50 0 HKAARO Fc1cccc(CN2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105047008 560860686 /nfs/dbraw/zinc/86/06/86/560860686.db2.gz HMSBSIHKMUYPFY-NFBKMPQASA-N 1 0 420.494 5.546 50 0 HKAARO Fc1ccccc1CN1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105047107 560860694 /nfs/dbraw/zinc/86/06/94/560860694.db2.gz KJEYEWZPJZUUEN-IFMALSPDSA-N 1 0 420.494 5.546 50 0 HKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000105050663 560861112 /nfs/dbraw/zinc/86/11/12/560861112.db2.gz JSYTXLVNJYCVFL-IXCJQBJRSA-N 1 0 418.625 5.700 50 0 HKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105050941 560861051 /nfs/dbraw/zinc/86/10/51/560861051.db2.gz FPIMFSDWJNQFPX-AZGAKELHSA-N 1 0 424.604 5.490 50 0 HKAARO Cc1cccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105050947 560861126 /nfs/dbraw/zinc/86/11/26/560861126.db2.gz FPIMFSDWJNQFPX-AOYPEHQESA-N 1 0 424.604 5.490 50 0 HKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000105051277 560861045 /nfs/dbraw/zinc/86/10/45/560861045.db2.gz FJUYEKXVHUDJIX-IFMALSPDSA-N 1 0 416.606 5.304 50 0 HKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825751 559163073 /nfs/dbraw/zinc/16/30/73/559163073.db2.gz IMTMMGXRAMGUDP-GIBNYFNHSA-N 1 0 424.544 5.135 50 0 biogenic HKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013322 560878183 /nfs/dbraw/zinc/87/81/83/560878183.db2.gz FWIMWRAGFVUMJK-VCLDYQMPSA-N 1 0 403.541 6.152 50 0 HKAARO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107153078 560895688 /nfs/dbraw/zinc/89/56/88/560895688.db2.gz XEQXWAKJRPHZNF-IEBWSBKVSA-N 1 0 417.500 5.286 50 0 HKAARO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107153081 560895723 /nfs/dbraw/zinc/89/57/23/560895723.db2.gz XEQXWAKJRPHZNF-MJGOQNOKSA-N 1 0 417.500 5.286 50 0 HKAARO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000108959801 568420351 /nfs/dbraw/zinc/42/03/51/568420351.db2.gz BJXJWFCVTOYHJQ-OPYAIIAOSA-N 1 0 409.599 5.131 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000118913953 557638944 /nfs/dbraw/zinc/63/89/44/557638944.db2.gz KWVISVAMQJWJSZ-RFKRAQKKSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000118917292 557639803 /nfs/dbraw/zinc/63/98/03/557639803.db2.gz KWVISVAMQJWJSZ-FZTBIMHXSA-N 1 0 413.646 5.287 50 0 HKAARO COc1cccc(C[NH2+][C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000142419648 569359517 /nfs/dbraw/zinc/35/95/17/569359517.db2.gz QRXVHHGJYZCNHF-VSGBNLITSA-N 1 0 412.577 5.080 50 0 HKAARO COc1cccc(C[NH2+][C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000142419841 569359526 /nfs/dbraw/zinc/35/95/26/569359526.db2.gz QRXVHHGJYZCNHF-WUFINQPMSA-N 1 0 412.577 5.080 50 0 HKAARO COc1cccc(C[NH2+][C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000142420058 569359535 /nfs/dbraw/zinc/35/95/35/569359535.db2.gz QRXVHHGJYZCNHF-IZLXSDGUSA-N 1 0 412.577 5.080 50 0 HKAARO CCCC[n+]1c(C)c2ccc(/C=c3\c4cccc5cccc(c45)n3CC)ccc-2c1C ZINC000145616357 558828111 /nfs/dbraw/zinc/82/81/11/558828111.db2.gz QBKFXPUMXJCRKM-UHFFFAOYSA-N 1 0 407.581 6.171 50 0 HKAARO CN(C)[C@H]1OC2=C(C=C1c1ccccc1)CCC/C2=C/C(=C/[NH+](C)C)c1ccccc1 ZINC000148849341 560729098 /nfs/dbraw/zinc/72/90/98/560729098.db2.gz JNEITWJXNGTTIY-AQWDUBBKSA-N 1 0 412.577 5.955 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677302 569125355 /nfs/dbraw/zinc/12/53/55/569125355.db2.gz NTNBWGVUMLAPRI-NTKDMRAZSA-N 1 0 423.988 5.509 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677708 569125407 /nfs/dbraw/zinc/12/54/07/569125407.db2.gz ZGONRFLXCAMTJX-WZONZLPQSA-N 1 0 409.961 5.201 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169678937 569126547 /nfs/dbraw/zinc/12/65/47/569126547.db2.gz ARIVBRWTBFOYTK-WIOPSUGQSA-N 1 0 410.627 5.453 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679892 569127072 /nfs/dbraw/zinc/12/70/72/569127072.db2.gz MPLTXDWSYRTIGS-UKILVPOCSA-N 1 0 424.654 5.762 50 0 HKAARO Fc1ccccc1CN1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169679902 569127011 /nfs/dbraw/zinc/12/70/11/569127011.db2.gz KJEYEWZPJZUUEN-RBBKRZOGSA-N 1 0 420.494 5.546 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679922 569127059 /nfs/dbraw/zinc/12/70/59/569127059.db2.gz JSYTXLVNJYCVFL-XTEPFMGCSA-N 1 0 418.625 5.700 50 0 HKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679925 569126820 /nfs/dbraw/zinc/12/68/20/569126820.db2.gz FJUYEKXVHUDJIX-RBBKRZOGSA-N 1 0 416.606 5.304 50 0 HKAARO CC1(C)C=C(C[N@@H+]2CCc3ccccc3C2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681478 569127470 /nfs/dbraw/zinc/12/74/70/569127470.db2.gz WSRARBWLKLAVQZ-UHFFFAOYSA-N 1 0 408.545 5.567 50 0 HKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000169793924 560766351 /nfs/dbraw/zinc/76/63/51/560766351.db2.gz VJRNJFGPKMJBSQ-NIJXNBFTSA-N 1 0 400.006 6.462 50 0 HKAARO Cc1nc(C[NH3+])ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000170591321 569240715 /nfs/dbraw/zinc/24/07/15/569240715.db2.gz VYAGOXAOWFROBW-UHFFFAOYSA-N 1 0 420.271 5.339 50 0 HKAARO C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000170599932 569242854 /nfs/dbraw/zinc/24/28/54/569242854.db2.gz VCZUDBZSCOQNNZ-HNNXBMFYSA-N 1 0 406.530 5.766 50 0 HKAARO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000170599934 569242883 /nfs/dbraw/zinc/24/28/83/569242883.db2.gz VCZUDBZSCOQNNZ-OAHLLOKOSA-N 1 0 406.530 5.766 50 0 HKAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000170619874 569248192 /nfs/dbraw/zinc/24/81/92/569248192.db2.gz SHMFDILODHDHKY-UHFFFAOYSA-N 1 0 417.962 5.370 50 0 HKAARO C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12 ZINC000201137714 569359597 /nfs/dbraw/zinc/35/95/97/569359597.db2.gz UXUFUAYZSLSBDA-VWLOTQADSA-N 1 0 409.577 6.011 50 0 HKAARO CCSC[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000206792203 560747735 /nfs/dbraw/zinc/74/77/35/560747735.db2.gz AOYROIJWBMCHTC-INIZCTEOSA-N 1 0 416.418 5.207 50 0 HKAARO CCSC[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000206792251 560747770 /nfs/dbraw/zinc/74/77/70/560747770.db2.gz AOYROIJWBMCHTC-MRXNPFEDSA-N 1 0 416.418 5.207 50 0 HKAARO CN(C)[C@H]1OC2=C(C=C1c1ccccc1)CCC/C2=C/C(=C\[NH+](C)C)c1ccccc1 ZINC000206951909 560751742 /nfs/dbraw/zinc/75/17/42/560751742.db2.gz JNEITWJXNGTTIY-LBVCUVADSA-N 1 0 412.577 5.955 50 0 HKAARO CN(C)[C@H]1OC2=C(C=C1c1ccccc1)CCC/C2=C\C(=C/[NH+](C)C)c1ccccc1 ZINC000206951954 560751723 /nfs/dbraw/zinc/75/17/23/560751723.db2.gz JNEITWJXNGTTIY-DGYDGLSWSA-N 1 0 412.577 5.955 50 0 HKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@]12COc1c3n(c[n+]12)[C@@]1(CO3)CC[C@@H](C)C[C@H]1C(C)C ZINC000215868599 568462112 /nfs/dbraw/zinc/46/21/12/568462112.db2.gz JCOBUDODHLBUIG-OGGCUATRSA-N 1 0 401.615 5.135 50 0 HKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000225399830 568634148 /nfs/dbraw/zinc/63/41/48/568634148.db2.gz RHRFBNLAPOQNJE-OFVILXPXSA-N 1 0 415.512 5.008 50 0 HKAARO CC(C)CCOc1ccc2[nH]c(-c3cc(NCCOC4(C)CCC4)cc[nH+]3)cc2c1 ZINC000225465555 568640518 /nfs/dbraw/zinc/64/05/18/568640518.db2.gz HHJSKCHDNCELQE-UHFFFAOYSA-N 1 0 407.558 6.026 50 0 HKAARO O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689004 568778885 /nfs/dbraw/zinc/77/88/85/568778885.db2.gz BJLGJQUJVYEJFL-UHFFFAOYSA-N 1 0 420.553 5.217 50 0 HKAARO O=C(CCc1c(Cl)cccc1Cl)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689082 568778851 /nfs/dbraw/zinc/77/88/51/568778851.db2.gz FYMAZDIERFUDSF-UHFFFAOYSA-N 1 0 423.409 5.037 50 0 HKAARO O=C(c1ccc(-c2cccs2)cc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689230 568779060 /nfs/dbraw/zinc/77/90/60/568779060.db2.gz RDRDHGPAUNUQAD-UHFFFAOYSA-N 1 0 408.592 5.140 50 0 HKAARO Fc1ccccc1C[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226308104 559273139 /nfs/dbraw/zinc/27/31/39/559273139.db2.gz ZFGMPUBAULRHSH-UHFFFAOYSA-N 1 0 418.673 5.386 50 0 HKAARO Fc1cccc(C[n+]2cc(Br)cc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000226308115 559273102 /nfs/dbraw/zinc/27/31/02/559273102.db2.gz XWNVQWRBZZVQMU-UHFFFAOYSA-N 1 0 418.673 5.386 50 0 HKAARO Fc1ccc(C[n+]2cc(Br)cc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000226308423 559273272 /nfs/dbraw/zinc/27/32/72/559273272.db2.gz RUMVWCSPMFTCRW-UHFFFAOYSA-N 1 0 418.673 5.386 50 0 HKAARO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000226761993 568823803 /nfs/dbraw/zinc/82/38/03/568823803.db2.gz VSLZYFGDJBKPIZ-DEOSSOPVSA-N 1 0 422.931 5.615 50 0 HKAARO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000226761996 559273989 /nfs/dbraw/zinc/27/39/89/559273989.db2.gz VSLZYFGDJBKPIZ-XMMPIXPASA-N 1 0 422.931 5.615 50 0 HKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(O)CCC ZINC000229811184 568715403 /nfs/dbraw/zinc/71/54/03/568715403.db2.gz FFNLFWCXKWZQKH-JDCJTOGASA-N 1 0 420.424 6.963 50 0 HKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000229869537 568715693 /nfs/dbraw/zinc/71/56/93/568715693.db2.gz FWIMWRAGFVUMJK-HYEPYWIQSA-N 1 0 403.541 6.152 50 0 HKAARO c1nc(-c2ccccc2)sc1CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000229980697 568716321 /nfs/dbraw/zinc/71/63/21/568716321.db2.gz ZAJOAPUCLDCJCJ-BJKOFHAPSA-N 1 0 403.595 5.439 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000230115983 568847717 /nfs/dbraw/zinc/84/77/17/568847717.db2.gz MTWFDWYCWJVQHA-WZONZLPQSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000230118084 568847722 /nfs/dbraw/zinc/84/77/22/568847722.db2.gz AWNLMWISWSJOFI-PXDATVDWSA-N 1 0 403.570 5.164 50 0 HKAARO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000230118123 568847684 /nfs/dbraw/zinc/84/76/84/568847684.db2.gz WDAULNIXMGCADE-PXDATVDWSA-N 1 0 403.570 5.164 50 0 HKAARO C[NH2+]Cc1ccc(Oc2ccc(Br)cc2Br)cc1Cl ZINC000234417067 558610646 /nfs/dbraw/zinc/61/06/46/558610646.db2.gz JLOZJOWEGZUDIA-UHFFFAOYSA-N 1 0 405.517 5.377 50 0 HKAARO c1nc(-c2ccccc2)sc1CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000242324349 569369895 /nfs/dbraw/zinc/36/98/95/569369895.db2.gz ZAJOAPUCLDCJCJ-DNQXCXABSA-N 1 0 403.595 5.439 50 0 HKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242522222 569369830 /nfs/dbraw/zinc/36/98/30/569369830.db2.gz IMTMMGXRAMGUDP-MGDCHWCSSA-N 1 0 424.544 5.135 50 0 biogenic HKAARO COc1ccccc1C[NH2+][C@H]1C(=C(c2ccccc2)c2ccccc2)N2CCC1CC2 ZINC000242687678 569369803 /nfs/dbraw/zinc/36/98/03/569369803.db2.gz UPBZQYHTKRKCSU-HHHXNRCGSA-N 1 0 410.561 5.339 50 0 HKAARO COc1ccccc1C[NH2+][C@@H]1C(=C(c2ccccc2)c2ccccc2)N2CCC1CC2 ZINC000242687679 569369912 /nfs/dbraw/zinc/36/99/12/569369912.db2.gz UPBZQYHTKRKCSU-MHZLTWQESA-N 1 0 410.561 5.339 50 0 HKAARO CCn1c2ccccc2c2cc(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000243956721 569370157 /nfs/dbraw/zinc/37/01/57/569370157.db2.gz CCPMAALZHMJSHK-NSOVKSMOSA-N 1 0 415.625 6.043 50 0 HKAARO CCn1c2ccccc2c2cc(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956722 569370083 /nfs/dbraw/zinc/37/00/83/569370083.db2.gz CCPMAALZHMJSHK-VSGBNLITSA-N 1 0 415.625 6.043 50 0 HKAARO CCn1c2ccccc2c2cc(CN3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956723 569370135 /nfs/dbraw/zinc/37/01/35/569370135.db2.gz CCPMAALZHMJSHK-WUFINQPMSA-N 1 0 415.625 6.043 50 0 HKAARO COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@H]1C ZINC000244866502 569370203 /nfs/dbraw/zinc/37/02/03/569370203.db2.gz VXHVUKKYMOSWJM-STGNFMFJSA-N 1 0 401.550 5.612 50 0 HKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000245245676 569370454 /nfs/dbraw/zinc/37/04/54/569370454.db2.gz FWIMWRAGFVUMJK-PXLWWVJOSA-N 1 0 403.541 6.152 50 0 HKAARO C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2[NH2+]C2CCCCCCCCCCC2)[C@H]1C ZINC000245254040 569370494 /nfs/dbraw/zinc/37/04/94/569370494.db2.gz YKSIZWWEVLYGSR-SDDHZKHCSA-N 1 0 424.673 7.229 50 0 HKAARO C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2[NH2+]C2CCCCCCCCCCC2)[C@H]1C ZINC000245254041 569370500 /nfs/dbraw/zinc/37/05/00/569370500.db2.gz YKSIZWWEVLYGSR-SEEQBUNISA-N 1 0 424.673 7.229 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000245280036 571222764 /nfs/dbraw/zinc/22/27/64/571222764.db2.gz MPLTXDWSYRTIGS-ZCYQVOJMSA-N 1 0 424.654 5.762 50 0 HKAARO CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281227 571222709 /nfs/dbraw/zinc/22/27/09/571222709.db2.gz WFRIRJWMWLELPG-BVAGGSTKSA-N 1 0 421.629 5.058 50 0 HKAARO CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281229 571222555 /nfs/dbraw/zinc/22/25/55/571222555.db2.gz WFRIRJWMWLELPG-OZXSUGGESA-N 1 0 421.629 5.058 50 0 HKAARO Cc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000245281439 571222715 /nfs/dbraw/zinc/22/27/15/571222715.db2.gz ZGONRFLXCAMTJX-JPYJTQIMSA-N 1 0 409.961 5.201 50 0 HKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(O)CCC ZINC000245325288 569370574 /nfs/dbraw/zinc/37/05/74/569370574.db2.gz FFNLFWCXKWZQKH-CBELIFPFSA-N 1 0 420.424 6.963 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245325567 571224816 /nfs/dbraw/zinc/22/48/16/571224816.db2.gz AWNLMWISWSJOFI-BWKNWUBXSA-N 1 0 403.570 5.164 50 0 HKAARO CCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326133 569370611 /nfs/dbraw/zinc/37/06/11/569370611.db2.gz JIMPELPXBXADEI-AHWCRGGASA-N 1 0 406.397 6.573 50 0 HKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245326136 569370601 /nfs/dbraw/zinc/37/06/01/569370601.db2.gz JIMPELPXBXADEI-BUYDQPTLSA-N 1 0 406.397 6.573 50 0 HKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245326140 569370604 /nfs/dbraw/zinc/37/06/04/569370604.db2.gz JIMPELPXBXADEI-GNJAYJQYSA-N 1 0 406.397 6.573 50 0 HKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326143 569370608 /nfs/dbraw/zinc/37/06/08/569370608.db2.gz JIMPELPXBXADEI-YJARNICDSA-N 1 0 406.397 6.573 50 0 HKAARO COc1cccc([C@H]2C[N@H+](Cc3sccc3C)C[C@H]2C[NH+](C)C2CCCCC2)c1 ZINC000245326583 571224976 /nfs/dbraw/zinc/22/49/76/571224976.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 1 0 412.643 5.545 50 0 HKAARO Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245329983 571225537 /nfs/dbraw/zinc/22/55/37/571225537.db2.gz WDAULNIXMGCADE-BWKNWUBXSA-N 1 0 403.570 5.164 50 0 HKAARO CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 ZINC000245380808 571227366 /nfs/dbraw/zinc/22/73/66/571227366.db2.gz NANBYMCOOZAYPS-AREMUKBSSA-N 1 0 404.529 5.549 50 0 HKAARO Cc1cccc(CN2CCCN(Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 ZINC000245380879 571227297 /nfs/dbraw/zinc/22/72/97/571227297.db2.gz QSPNZYFXWMPAMX-SANMLTNESA-N 1 0 404.985 6.364 50 0 HKAARO C[N@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000247995563 559258920 /nfs/dbraw/zinc/25/89/20/559258920.db2.gz MPKOXKGPBIYWGW-UGKGYDQZSA-N 1 0 419.594 5.012 50 0 HKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000248051999 559261075 /nfs/dbraw/zinc/26/10/75/559261075.db2.gz ARIVBRWTBFOYTK-DHLKQENFSA-N 1 0 410.627 5.453 50 0 HKAARO Cc1ccccc1[C@H]1C[N@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248077597 559261881 /nfs/dbraw/zinc/26/18/81/559261881.db2.gz IVARIUQLHPJFMW-DHLKQENFSA-N 1 0 410.577 5.356 50 0 HKAARO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000248091721 559262059 /nfs/dbraw/zinc/26/20/59/559262059.db2.gz MTWFDWYCWJVQHA-JPYJTQIMSA-N 1 0 409.961 5.201 50 0 HKAARO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000248100166 559263228 /nfs/dbraw/zinc/26/32/28/559263228.db2.gz NTNBWGVUMLAPRI-DVECYGJZSA-N 1 0 423.988 5.509 50 0 HKAARO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccc(OC)cc1 ZINC000248106010 559262583 /nfs/dbraw/zinc/26/25/83/559262583.db2.gz FWOQAZJKWCARFG-LOYIFYEOSA-N 1 0 422.613 5.122 50 0 HKAARO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccc(OC)cc1 ZINC000248106017 559262559 /nfs/dbraw/zinc/26/25/59/559262559.db2.gz FWOQAZJKWCARFG-VHSZZVNMSA-N 1 0 422.613 5.122 50 0 HKAARO CN1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000248109551 559262579 /nfs/dbraw/zinc/26/25/79/559262579.db2.gz GUAHHIHOYRGRSC-YTFSRNRJSA-N 1 0 403.909 5.325 50 0 HKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248116119 569015038 /nfs/dbraw/zinc/01/50/38/569015038.db2.gz VBFKWXPKINHAET-JYFHCDHNSA-N 1 0 415.581 5.090 50 0 HKAARO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000248119774 559264214 /nfs/dbraw/zinc/26/42/14/559264214.db2.gz XCHJUJCJWWCKQH-XCRWMPKNSA-N 1 0 412.577 5.478 50 0 HKAARO Cc1ccc(C(=O)[C@@H]2C[N@@H+](C)[C@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000248161049 559265596 /nfs/dbraw/zinc/26/55/96/559265596.db2.gz XNDXEIYARWEMSV-AKIFATBCSA-N 1 0 403.547 5.350 50 0 HKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000248195473 569371513 /nfs/dbraw/zinc/37/15/13/569371513.db2.gz PDXVYZCYGBPUAD-GIFPIDKJSA-N 1 0 413.605 6.889 50 0 HKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000248195474 569371465 /nfs/dbraw/zinc/37/14/65/569371465.db2.gz PDXVYZCYGBPUAD-GKQHHHCTSA-N 1 0 413.605 6.889 50 0 HKAARO CCCC[C@@H](CC)COC[C@@H](C[NH+](C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000248267746 569371775 /nfs/dbraw/zinc/37/17/75/569371775.db2.gz OXQSXJOQFXUCQG-CXSMSNRLSA-N 1 0 415.703 6.035 50 0 HKAARO C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000248339549 569371796 /nfs/dbraw/zinc/37/17/96/569371796.db2.gz TUYBBCIRRSHTAP-ANTHHZPCSA-N 1 0 415.868 5.327 50 0 HKAARO C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000248339551 569371773 /nfs/dbraw/zinc/37/17/73/569371773.db2.gz TUYBBCIRRSHTAP-PGQWDYDZSA-N 1 0 415.868 5.327 50 0 HKAARO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000250898577 569371943 /nfs/dbraw/zinc/37/19/43/569371943.db2.gz KWVISVAMQJWJSZ-IEYGKPMNSA-N 1 0 413.646 5.287 50 0 endogenous,in-man HKAARO C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000252428033 569285270 /nfs/dbraw/zinc/28/52/70/569285270.db2.gz ONLWOWZCJPRUQU-KBEBOQJUSA-N 1 0 401.506 5.541 50 0 HKAARO C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000252428034 569285266 /nfs/dbraw/zinc/28/52/66/569285266.db2.gz ONLWOWZCJPRUQU-PLZPTFKGSA-N 1 0 401.506 5.541 50 0 HKAARO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1SC(C)(C)C ZINC000252478400 569288697 /nfs/dbraw/zinc/28/86/97/569288697.db2.gz ALMROEMEZDLZHM-KRWDZBQOSA-N 1 0 400.588 5.381 50 0 HKAARO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1SC(C)(C)C ZINC000252478401 569288763 /nfs/dbraw/zinc/28/87/63/569288763.db2.gz ALMROEMEZDLZHM-QGZVFWFLSA-N 1 0 400.588 5.381 50 0 HKAARO C[NH+](C)[C@H](c1ccccc1)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000252549826 569294060 /nfs/dbraw/zinc/29/40/60/569294060.db2.gz RVCDIGZZCIKTFM-NJDAHSKKSA-N 1 0 405.460 5.724 50 0 HKAARO CSc1ccc(/C=C2/C[N@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591134 569295510 /nfs/dbraw/zinc/29/55/10/569295510.db2.gz AXTUZIIIXMUDOU-QEVXCNPWSA-N 1 0 409.624 5.118 50 0 HKAARO CSc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591137 569295496 /nfs/dbraw/zinc/29/54/96/569295496.db2.gz AXTUZIIIXMUDOU-UXVSBZDTSA-N 1 0 409.624 5.118 50 0 HKAARO C[NH+](C)CCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 ZINC000252666392 569319071 /nfs/dbraw/zinc/31/90/71/569319071.db2.gz BIMDMCJUWJXNSQ-UHFFFAOYSA-N 1 0 416.388 5.163 50 0 HKAARO CC(C)n1cc(CCCC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253410165 569366660 /nfs/dbraw/zinc/36/66/60/569366660.db2.gz MXCDFKBAUBOGKK-LADGPHEKSA-N 1 0 409.618 5.268 50 0 biogenic HKAARO O=C(Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000253410888 569366630 /nfs/dbraw/zinc/36/66/30/569366630.db2.gz NXHAKVGXQVEYOV-FXAWDEMLSA-N 1 0 415.990 5.344 50 0 biogenic HKAARO FC(F)(F)c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000253470535 569381116 /nfs/dbraw/zinc/38/11/16/569381116.db2.gz CGTHZMGGDINNPQ-UHFFFAOYSA-N 1 0 412.459 5.461 50 0 HKAARO CC(C)(C)c1cc([C@H](O)CN2c3ccccc3N3CCC[NH+]=C23)cc(C(C)(C)C)c1O ZINC000253470611 569381080 /nfs/dbraw/zinc/38/10/80/569381080.db2.gz PHZWGDUNMDHYAL-JOCHJYFZSA-N 1 0 421.585 5.107 50 0 HKAARO CC(C)(C)c1cc([C@@H](O)CN2c3ccccc3N3CCC[NH+]=C23)cc(C(C)(C)C)c1O ZINC000253470612 569381107 /nfs/dbraw/zinc/38/11/07/569381107.db2.gz PHZWGDUNMDHYAL-QFIPXVFZSA-N 1 0 421.585 5.107 50 0 HKAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1 ZINC000253470645 569380988 /nfs/dbraw/zinc/38/09/88/569380988.db2.gz UKLHUJUCGLPMRU-UHFFFAOYSA-N 1 0 410.565 5.123 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000253498055 569203446 /nfs/dbraw/zinc/20/34/46/569203446.db2.gz KWVISVAMQJWJSZ-DBDVBLDNSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000253498058 569203476 /nfs/dbraw/zinc/20/34/76/569203476.db2.gz KWVISVAMQJWJSZ-KMVSSOTPSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000253498059 569203496 /nfs/dbraw/zinc/20/34/96/569203496.db2.gz KWVISVAMQJWJSZ-WLLRQUHMSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253498286 569373711 /nfs/dbraw/zinc/37/37/11/569373711.db2.gz XYNPYHXGMWJBLV-JSHDZXQTSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253498287 525115757 /nfs/dbraw/zinc/11/57/57/525115757.db2.gz XYNPYHXGMWJBLV-OSVKRPBCSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000253500761 569373756 /nfs/dbraw/zinc/37/37/56/569373756.db2.gz KWVISVAMQJWJSZ-HDMNLDITSA-N 1 0 413.646 5.287 50 0 endogenous,in-man HKAARO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253500763 569373698 /nfs/dbraw/zinc/37/36/98/569373698.db2.gz KWVISVAMQJWJSZ-SGXGUMDDSA-N 1 0 413.646 5.287 50 0 endogenous,in-man HKAARO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000253500764 569373785 /nfs/dbraw/zinc/37/37/85/569373785.db2.gz KWVISVAMQJWJSZ-ZPMHHCQQSA-N 1 0 413.646 5.287 50 0 endogenous,in-man HKAARO C[C@H]1[C@]2(C)[C@@H](C[C@H]3[C@H]2CC[C@@H]2[C@H]3CC=C3C[C@H](O)CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253529897 569382630 /nfs/dbraw/zinc/38/26/30/569382630.db2.gz NDGNAGYMRXIKGS-LBPWJTAJSA-N 1 0 413.646 5.287 50 0 biogenic HKAARO C[C@H]1[C@]2(C)[C@@H](C[C@H]3[C@@H]2CC[C@@H]2[C@H]3CC=C3C[C@H](O)CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253529898 569382597 /nfs/dbraw/zinc/38/25/97/569382597.db2.gz NDGNAGYMRXIKGS-NQVCUNFCSA-N 1 0 413.646 5.287 50 0 biogenic HKAARO C[C@H]1[C@@]2(C)[C@@H](C[C@H]3[C@@H]2CC[C@@H]2[C@H]3CC=C3C[C@H](O)CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253529899 569382581 /nfs/dbraw/zinc/38/25/81/569382581.db2.gz NDGNAGYMRXIKGS-OZDPXOHUSA-N 1 0 413.646 5.287 50 0 biogenic HKAARO C[C@H]1[C@@]2(C)[C@@H](C[C@H]3[C@H]2CC[C@@H]2[C@H]3CC=C3C[C@H](O)CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253529900 569382613 /nfs/dbraw/zinc/38/26/13/569382613.db2.gz NDGNAGYMRXIKGS-ZEMAFNNTSA-N 1 0 413.646 5.287 50 0 biogenic HKAARO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000253621859 569374592 /nfs/dbraw/zinc/37/45/92/569374592.db2.gz KWVISVAMQJWJSZ-TYEZVCFBSA-N 1 0 413.646 5.287 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1c[nH]c2ccccc12 ZINC000254392652 569414251 /nfs/dbraw/zinc/41/42/51/569414251.db2.gz WAWPYSHDONJSJL-NLDZOOGBSA-N 1 0 414.637 7.091 50 0 HKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000254698739 568810917 /nfs/dbraw/zinc/81/09/17/568810917.db2.gz YOOJEFRMLLOATM-FCEKVYKBSA-N 1 0 419.609 6.339 50 0 HKAARO C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000255282621 569375164 /nfs/dbraw/zinc/37/51/64/569375164.db2.gz XYNPYHXGMWJBLV-LYTFDTMDSA-N 1 0 415.662 5.367 50 0 HKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3[NH3+] ZINC000257350353 569379005 /nfs/dbraw/zinc/37/90/05/569379005.db2.gz WLHQSAYHIOPMMJ-DJLRNENSSA-N 1 0 401.679 6.326 50 0 HKAARO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3[NH3+] ZINC000257350354 569378976 /nfs/dbraw/zinc/37/89/76/569378976.db2.gz WLHQSAYHIOPMMJ-FURWIKFQSA-N 1 0 401.679 6.326 50 0 HKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3[NH3+] ZINC000257350355 569378980 /nfs/dbraw/zinc/37/89/80/569378980.db2.gz WLHQSAYHIOPMMJ-HKFFUOJPSA-N 1 0 401.679 6.326 50 0 HKAARO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3[NH3+] ZINC000257350356 569379002 /nfs/dbraw/zinc/37/90/02/569379002.db2.gz WLHQSAYHIOPMMJ-UMUIBFEKSA-N 1 0 401.679 6.326 50 0 HKAARO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257356879 569379238 /nfs/dbraw/zinc/37/92/38/569379238.db2.gz KWVISVAMQJWJSZ-VKPFSMOYSA-N 1 0 413.646 5.287 50 0 HKAARO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257359019 569379167 /nfs/dbraw/zinc/37/91/67/569379167.db2.gz XYNPYHXGMWJBLV-FGBGWIGISA-N 1 0 415.662 5.367 50 0 HKAARO C[C@@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257359020 569379176 /nfs/dbraw/zinc/37/91/76/569379176.db2.gz XYNPYHXGMWJBLV-FQBBVSRBSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000257359021 569379275 /nfs/dbraw/zinc/37/92/75/569379275.db2.gz XYNPYHXGMWJBLV-IESQFPPYSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000257359022 569379294 /nfs/dbraw/zinc/37/92/94/569379294.db2.gz XYNPYHXGMWJBLV-MUKVJLAESA-N 1 0 415.662 5.367 50 0 HKAARO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257359023 569379276 /nfs/dbraw/zinc/37/92/76/569379276.db2.gz XYNPYHXGMWJBLV-NUSYYCJXSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000257359024 569379279 /nfs/dbraw/zinc/37/92/79/569379279.db2.gz XYNPYHXGMWJBLV-PQIRRSHJSA-N 1 0 415.662 5.367 50 0 HKAARO C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257359025 569379274 /nfs/dbraw/zinc/37/92/74/569379274.db2.gz XYNPYHXGMWJBLV-YNZQJPCBSA-N 1 0 415.662 5.367 50 0 HKAARO CC1(C)CC(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)CC(C)(C)[NH2+]1 ZINC000263587647 571105409 /nfs/dbraw/zinc/10/54/09/571105409.db2.gz JMVWVMRXMIJPAB-HSZRJFAPSA-N 1 0 403.570 5.046 50 0 HKAARO CC1(C)CC(NC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)CC(C)(C)[NH2+]1 ZINC000263587648 571105863 /nfs/dbraw/zinc/10/58/63/571105863.db2.gz JMVWVMRXMIJPAB-QHCPKHFHSA-N 1 0 403.570 5.046 50 0 HKAARO FC(F)(F)c1ccc(-c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)nc1 ZINC000263639936 569380870 /nfs/dbraw/zinc/38/08/70/569380870.db2.gz PEAHZNHGCACXPK-UHFFFAOYSA-N 1 0 411.471 5.085 50 0 HKAARO CCCCc1nc(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)c[nH]1 ZINC000299759382 569382377 /nfs/dbraw/zinc/38/23/77/569382377.db2.gz RJYKBNKBNQXCAS-JOCHJYFZSA-N 1 0 421.566 5.725 50 0 HKAARO CCCCc1nc(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)c[nH]1 ZINC000299759385 569382360 /nfs/dbraw/zinc/38/23/60/569382360.db2.gz RJYKBNKBNQXCAS-QFIPXVFZSA-N 1 0 421.566 5.725 50 0 HKAARO Clc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(-c3ccsc3)nc2c1 ZINC000299766228 569382388 /nfs/dbraw/zinc/38/23/88/569382388.db2.gz HCGDZSOHAYVWHQ-IBGZPJMESA-N 1 0 422.937 5.546 50 0 HKAARO Clc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(-c3ccsc3)nc2c1 ZINC000299766230 569382368 /nfs/dbraw/zinc/38/23/68/569382368.db2.gz HCGDZSOHAYVWHQ-LJQANCHMSA-N 1 0 422.937 5.546 50 0 HKAARO COc1ccc2cc(C[NH2+]Cc3cccc4ccccc43)c(-c3ccsc3)nc2c1 ZINC000299768583 569382285 /nfs/dbraw/zinc/38/22/85/569382285.db2.gz OLLFNGNMUPRHSI-UHFFFAOYSA-N 1 0 410.542 6.415 50 0 HKAARO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000409414209 560723289 /nfs/dbraw/zinc/72/32/89/560723289.db2.gz IFQVDHKHKVDYQC-OUJSJNLKSA-N 1 0 417.597 5.257 50 0 HKAARO CC(C)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524730279 559178438 /nfs/dbraw/zinc/17/84/38/559178438.db2.gz DAWFPXPUEOSKDZ-MDNUFGMLSA-N 1 0 413.631 5.031 50 0 biogenic HKAARO CC(C)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524730280 559178448 /nfs/dbraw/zinc/17/84/48/559178448.db2.gz DAWFPXPUEOSKDZ-WWNPGLIZSA-N 1 0 413.631 5.031 50 0 biogenic HKAARO CC(C)[C@@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)C[C@@H](C(C)C)O1 ZINC000524734954 559178907 /nfs/dbraw/zinc/17/89/07/559178907.db2.gz MWHIXCNXUFWWBG-DQEYMECFSA-N 1 0 414.033 6.617 50 0 HKAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)C[C@@H](C(C)C)O1 ZINC000524734955 559178923 /nfs/dbraw/zinc/17/89/23/559178923.db2.gz MWHIXCNXUFWWBG-GPOLMCQNSA-N 1 0 414.033 6.617 50 0 HKAARO CC(C)[C@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)C[C@H](C(C)C)O1 ZINC000524734956 559178925 /nfs/dbraw/zinc/17/89/25/559178925.db2.gz MWHIXCNXUFWWBG-JWQCQUIFSA-N 1 0 414.033 6.617 50 0 HKAARO COc1ccc(OC(=O)C(C)C)c([C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000575319539 568933270 /nfs/dbraw/zinc/93/32/70/568933270.db2.gz DKGYOYYHZZCBNC-HSZRJFAPSA-N 1 0 411.586 5.897 50 0 HKAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc21 ZINC000575619506 569038690 /nfs/dbraw/zinc/03/86/90/569038690.db2.gz GGPRIZWEDIUYHH-KRWDZBQOSA-N 1 0 407.461 5.345 50 0 HKAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc21 ZINC000575619507 569038741 /nfs/dbraw/zinc/03/87/41/569038741.db2.gz GGPRIZWEDIUYHH-QGZVFWFLSA-N 1 0 407.461 5.345 50 0 HKAARO CCCC[n+]1c(C)c2ccc(C=CC=C3Sc4ccccc4N3C)ccc-2c1C ZINC000685944204 568722630 /nfs/dbraw/zinc/72/26/30/568722630.db2.gz AFSKGJSGHJZXLG-UHFFFAOYSA-N 1 0 401.599 6.624 50 0 HKAARO CCN1c2ccccc2SC1=Cc1ccc2c(C)[n+](-c3ccccc3)c(C)c-2cc1 ZINC000685944241 568722547 /nfs/dbraw/zinc/72/25/47/568722547.db2.gz FZAGQKHOGUOXOM-UHFFFAOYSA-N 1 0 409.578 6.740 50 0 HKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(C(C)(C)C)cc(C(C)(C)C)[s+]1 ZINC000685944387 568722492 /nfs/dbraw/zinc/72/24/92/568722492.db2.gz GRFIAZRXQARMLN-GEEUODSKSA-N 1 0 406.659 7.782 50 0 HKAARO CCN1c2ccccc2SC1=CC=Cc1cc(-c2ccccc2)c2ccccc2[s+]1 ZINC000685944440 568722574 /nfs/dbraw/zinc/72/25/74/568722574.db2.gz MEACJXRFWZQQMD-CVHHLGAXSA-N 1 0 424.614 7.343 50 0 HKAARO CCCC[n+]1c(C)c2ccc(C=CC=C3N(C)c4ccccc4C3(C)C)ccc-2c1C ZINC000685944475 568722798 /nfs/dbraw/zinc/72/27/98/568722798.db2.gz QFMCOZRFRHUKIU-UHFFFAOYSA-N 1 0 411.613 7.134 50 0 HKAARO CCN1c2ccccc2SC1=CC=Cc1cc(-c2ccccc2)c2ccccc2[o+]1 ZINC000685944527 568722764 /nfs/dbraw/zinc/72/27/64/568722764.db2.gz ULPKOMQWDWSOJO-CVHHLGAXSA-N 1 0 408.546 6.630 50 0 HKAARO CN1c2ccccc2S/C1=C\C1=C/C(=C/c2sc3ccccc3[n+]2C)CCC1 ZINC000685944603 568722843 /nfs/dbraw/zinc/72/28/43/568722843.db2.gz XHEFMWPCWBSNSN-UHFFFAOYSA-N 1 0 403.596 6.303 50 0 HKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(-c2ccccc2)c2ccccc2[s+]1 ZINC000685944637 568722807 /nfs/dbraw/zinc/72/28/07/568722807.db2.gz YLYKKTXRHUQXLU-YIYJPIFJSA-N 1 0 420.601 7.370 50 0 HKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(-c2ccccc2)c2ccccc2[o+]1 ZINC000685944644 568722813 /nfs/dbraw/zinc/72/28/13/568722813.db2.gz YSRTUFYYUBWJDS-YIYJPIFJSA-N 1 0 404.533 6.657 50 0 HKAARO CC1=C(/C=C2\Sc3ccccc3N2C)CC/C1=C/c1sc2ccccc2[n+]1C ZINC000685944657 568722845 /nfs/dbraw/zinc/72/28/45/568722845.db2.gz RKQPNZKHVRWDOS-UHFFFAOYSA-N 1 0 403.596 6.303 50 0 HKAARO