smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@H](O)CC[NH+](C)C)cc3)c2c1 ZINC000031947010 556528217 /nfs/dbraw/zinc/52/82/17/556528217.db2.gz ZZUFLNQKOYMXII-XMMPIXPASA-N 1 1 435.955 5.779 40 10 IKCBMO O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013669092 556549738 /nfs/dbraw/zinc/54/97/38/556549738.db2.gz QCIRJJPEXHTMGE-UHFFFAOYSA-N 1 1 439.603 5.165 40 10 IKCBMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044853961 556671159 /nfs/dbraw/zinc/67/11/59/556671159.db2.gz YKPVUCYTANCXTD-XUZZJYLKSA-N 1 1 437.603 5.151 40 10 IKCBMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219238079 557232411 /nfs/dbraw/zinc/23/24/11/557232411.db2.gz VHEAOWLAJFIZLB-PKTZIBPZSA-N 1 1 433.640 5.646 40 10 IKCBMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758407 557388320 /nfs/dbraw/zinc/38/83/20/557388320.db2.gz FHTHNPSINGICMV-DMTNHVFBSA-N 1 1 427.032 6.055 40 10 IKCBMO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000223131853 557436443 /nfs/dbraw/zinc/43/64/43/557436443.db2.gz DSVXDUYOGOBLOG-UHFFFAOYSA-N 1 1 448.438 5.368 40 10 IKCBMO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000223138571 557437849 /nfs/dbraw/zinc/43/78/49/557437849.db2.gz WJCKZGOSJSQBNS-UHFFFAOYSA-N 1 1 448.438 5.368 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000002667759 569125757 /nfs/dbraw/zinc/12/57/57/569125757.db2.gz UVEGBIZWFAODTK-VWLOTQADSA-N 1 1 443.543 6.352 40 10 IKCBMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260511505 569281183 /nfs/dbraw/zinc/28/11/83/569281183.db2.gz QIQAOSIZJUZDNE-ZFGGDYGUSA-N 1 1 437.603 5.151 40 10 IKCBMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260578948 569281402 /nfs/dbraw/zinc/28/14/02/569281402.db2.gz XTCFMSIMYVCQJA-XPWALMASSA-N 1 1 433.640 5.646 40 10 IKCBMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000057316913 569284456 /nfs/dbraw/zinc/28/44/56/569284456.db2.gz FHTHNPSINGICMV-RNXOBYDBSA-N 1 1 427.032 6.055 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000001448570 568909083 /nfs/dbraw/zinc/90/90/83/568909083.db2.gz YRLOQKKAVIXGMB-QHCPKHFHSA-N 1 1 430.504 5.357 40 10 IKCBMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260511499 569281188 /nfs/dbraw/zinc/28/11/88/569281188.db2.gz QIQAOSIZJUZDNE-LGVFNWMJSA-N 1 1 437.603 5.151 40 10 IKCBMO CCN(CC)c1cc(Nc2c3ccc(Cl)cc3[nH+]c3cc(Cl)ccc32)ccc1O ZINC000005103505 556032363 /nfs/dbraw/zinc/03/23/63/556032363.db2.gz XVNMPCBELMXEEC-UHFFFAOYSA-N 1 1 426.347 6.990 40 10 IKCBMO CC[NH+](CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(Br)cc3)S2)cc1 ZINC000008821178 556221954 /nfs/dbraw/zinc/22/19/54/556221954.db2.gz NHBYCEULQZPWOY-AQTBWJFISA-N 1 1 430.371 5.378 40 10 IKCBMO CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000409019004 556919570 /nfs/dbraw/zinc/91/95/70/556919570.db2.gz ZZJFCTXXBQNZFV-PZBNQXIHSA-N 1 1 425.598 5.775 40 10 IKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 ZINC000409240153 557021242 /nfs/dbraw/zinc/02/12/42/557021242.db2.gz JVDPWMPLIHVKSJ-CJLVFECKSA-N 1 1 441.597 5.013 40 10 IKCBMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219238240 557232539 /nfs/dbraw/zinc/23/25/39/557232539.db2.gz XTCFMSIMYVCQJA-ZLNRFVROSA-N 1 1 433.640 5.646 40 10 IKCBMO CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000222788512 557387062 /nfs/dbraw/zinc/38/70/62/557387062.db2.gz PIFBDGOOAPETKQ-LOSJGSFVSA-N 1 1 447.652 5.328 40 10 IKCBMO CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000222788398 557387100 /nfs/dbraw/zinc/38/71/00/557387100.db2.gz PIFBDGOOAPETKQ-JWQCQUIFSA-N 1 1 447.652 5.328 40 10 IKCBMO CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000222788460 557387107 /nfs/dbraw/zinc/38/71/07/557387107.db2.gz PIFBDGOOAPETKQ-RPBOFIJWSA-N 1 1 447.652 5.328 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000001448563 568908933 /nfs/dbraw/zinc/90/89/33/568908933.db2.gz BSATVFADDRSLKD-HSZRJFAPSA-N 1 1 430.504 5.357 40 10 IKCBMO Cc1ccnc(NS(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)n1 ZINC000005389938 556049545 /nfs/dbraw/zinc/04/95/45/556049545.db2.gz JUTRAKXMMVWOIP-UHFFFAOYSA-N 1 1 441.516 5.031 40 10 IKCBMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044853959 556671090 /nfs/dbraw/zinc/67/10/90/556671090.db2.gz YKPVUCYTANCXTD-ZJSXRUAMSA-N 1 1 437.603 5.151 40 10 IKCBMO Cc1oc2ccc(O)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418552 556677189 /nfs/dbraw/zinc/67/71/89/556677189.db2.gz INPGQTSUSFGREI-KBPBESRZSA-N 1 1 442.943 5.270 40 10 IKCBMO COc1ccc(C[N@H+](Cc2cc(C)n(-c3ncccc3C)c2C)Cc2ccncc2)cc1 ZINC000019237888 556722710 /nfs/dbraw/zinc/72/27/10/556722710.db2.gz KFFWTPNOSQBZMC-UHFFFAOYSA-N 1 1 426.564 5.404 40 10 IKCBMO COc1ccc(C[N@@H+](Cc2cc(C)n(-c3ncccc3C)c2C)Cc2ccncc2)cc1 ZINC000019237888 556722713 /nfs/dbraw/zinc/72/27/13/556722713.db2.gz KFFWTPNOSQBZMC-UHFFFAOYSA-N 1 1 426.564 5.404 40 10 IKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000409231840 557023454 /nfs/dbraw/zinc/02/34/54/557023454.db2.gz KYVJHQSPNQTHRQ-KOEQRZSOSA-N 1 1 442.563 5.033 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000001448569 568909265 /nfs/dbraw/zinc/90/92/65/568909265.db2.gz YRLOQKKAVIXGMB-HSZRJFAPSA-N 1 1 430.504 5.357 40 10 IKCBMO Cc1oc2ccc(O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 ZINC000009970912 569217175 /nfs/dbraw/zinc/21/71/75/569217175.db2.gz OMULAHCZLIAMNR-MMTVBGGISA-N 1 1 446.591 5.777 40 10 IKCBMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000044854992 569260318 /nfs/dbraw/zinc/26/03/18/569260318.db2.gz XTCFMSIMYVCQJA-VJBWXMMDSA-N 1 1 433.640 5.646 40 10 IKCBMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(O)c1 ZINC000012185670 524025300 /nfs/dbraw/zinc/02/53/00/524025300.db2.gz CKIJEHLVGTZKTO-NRFANRHFSA-N 1 1 438.524 5.190 40 10 IKCBMO CCCCCCC1N(Cc2cccc(OC)c2O)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000019325980 556736499 /nfs/dbraw/zinc/73/64/99/556736499.db2.gz MMABJZRWKBQTIS-UHFFFAOYSA-N 1 1 442.600 5.119 40 10 IKCBMO CCCCCCC1N(Cc2cccc(OC)c2O)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000019325980 556736503 /nfs/dbraw/zinc/73/65/03/556736503.db2.gz MMABJZRWKBQTIS-UHFFFAOYSA-N 1 1 442.600 5.119 40 10 IKCBMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758404 557388329 /nfs/dbraw/zinc/38/83/29/557388329.db2.gz FHTHNPSINGICMV-AYRHNUGRSA-N 1 1 427.032 6.055 40 10 IKCBMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044854088 569260359 /nfs/dbraw/zinc/26/03/59/569260359.db2.gz VHEAOWLAJFIZLB-GOTSBHOMSA-N 1 1 433.640 5.646 40 10 IKCBMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000057316917 569284419 /nfs/dbraw/zinc/28/44/19/569284419.db2.gz FHTHNPSINGICMV-AFESJLNVSA-N 1 1 427.032 6.055 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000015441714 569516648 /nfs/dbraw/zinc/51/66/48/569516648.db2.gz WPFPELDJDYOPHN-QHCPKHFHSA-N 1 1 430.504 5.357 40 10 IKCBMO CC[NH+](CC)Cc1cc(Nc2c3ccc(Cl)cc3nc(C)c2C2CCCC2)ccc1O ZINC000001695615 555709943 /nfs/dbraw/zinc/70/99/43/555709943.db2.gz IVXCCSZKWUMDNY-UHFFFAOYSA-N 1 1 438.015 7.145 40 10 IKCBMO COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(C[NH+]4CCCC4)c3)c2c1 ZINC000004366439 555990458 /nfs/dbraw/zinc/99/04/58/555990458.db2.gz HIOFSCQIOULIOU-UHFFFAOYSA-N 1 1 433.939 6.095 40 10 IKCBMO Cc1oc2ccc(O)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418548 556677165 /nfs/dbraw/zinc/67/71/65/556677165.db2.gz INPGQTSUSFGREI-OKILXGFUSA-N 1 1 442.943 5.270 40 10 IKCBMO Cc1oc2ccc(O)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418548 556677168 /nfs/dbraw/zinc/67/71/68/556677168.db2.gz INPGQTSUSFGREI-OKILXGFUSA-N 1 1 442.943 5.270 40 10 IKCBMO CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000409019005 556722063 /nfs/dbraw/zinc/72/20/63/556722063.db2.gz ZZJFCTXXBQNZFV-QFNCUCFLSA-N 1 1 425.598 5.775 40 10 IKCBMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219238175 557232491 /nfs/dbraw/zinc/23/24/91/557232491.db2.gz XTCFMSIMYVCQJA-DNVJHFABSA-N 1 1 433.640 5.646 40 10 IKCBMO Cc1oc2ccc(O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)Nc1ccccc1 ZINC000008717884 569214262 /nfs/dbraw/zinc/21/42/62/569214262.db2.gz LVVQKFFHCMICKI-PPHZAIPVSA-N 1 1 432.564 6.100 40 10 IKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000144226103 569255069 /nfs/dbraw/zinc/25/50/69/569255069.db2.gz SBPHYRCOMJHERC-ULJHMMPZSA-N 1 1 445.588 6.181 40 10 IKCBMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044853963 569260323 /nfs/dbraw/zinc/26/03/23/569260323.db2.gz YKPVUCYTANCXTD-QPPBQGQZSA-N 1 1 437.603 5.151 40 10 IKCBMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260511486 569281139 /nfs/dbraw/zinc/28/11/39/569281139.db2.gz QIQAOSIZJUZDNE-DPLHUUCSSA-N 1 1 437.603 5.151 40 10 IKCBMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(O)c1 ZINC000012185667 524025333 /nfs/dbraw/zinc/02/53/33/524025333.db2.gz CKIJEHLVGTZKTO-OAQYLSRUSA-N 1 1 438.524 5.190 40 10 IKCBMO COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CC[NH+](C)C)cc3)c2c1 ZINC000004830966 556014043 /nfs/dbraw/zinc/01/40/43/556014043.db2.gz ZZUFLNQKOYMXII-DEOSSOPVSA-N 1 1 435.955 5.779 40 10 IKCBMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000044854934 556671254 /nfs/dbraw/zinc/67/12/54/556671254.db2.gz QIQAOSIZJUZDNE-PQNGQFLHSA-N 1 1 437.603 5.151 40 10 IKCBMO Cc1cc(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)c(C)n1-c1ccc(C)cn1 ZINC000019216204 556711844 /nfs/dbraw/zinc/71/18/44/556711844.db2.gz MCZJVDZHFKBCDE-UHFFFAOYSA-N 1 1 431.559 5.226 40 10 IKCBMO Cc1cc(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)c(C)n1-c1ncccc1C ZINC000019237887 556722806 /nfs/dbraw/zinc/72/28/06/556722806.db2.gz RLFVUZRYLKTQIL-UHFFFAOYSA-N 1 1 431.559 5.226 40 10 IKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000408902732 556885543 /nfs/dbraw/zinc/88/55/43/556885543.db2.gz QQDDBNUHDJHHDP-NLRVBDNBSA-N 1 1 426.564 5.746 40 10 IKCBMO CCN(CC)c1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000224036170 557549371 /nfs/dbraw/zinc/54/93/71/557549371.db2.gz WAHDZLVXTGNKNX-UHFFFAOYSA-N 1 1 427.592 5.021 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000001448564 568909139 /nfs/dbraw/zinc/90/91/39/568909139.db2.gz BSATVFADDRSLKD-QHCPKHFHSA-N 1 1 430.504 5.357 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000002667758 569125754 /nfs/dbraw/zinc/12/57/54/569125754.db2.gz UVEGBIZWFAODTK-RUZDIDTESA-N 1 1 443.543 6.352 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(C)cc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000002667763 569125774 /nfs/dbraw/zinc/12/57/74/569125774.db2.gz MFGPNBZKRBMEIK-VWLOTQADSA-N 1 1 443.543 6.270 40 10 IKCBMO CC[NH+](CC)c1ccc(NC2=NC(=O)C(=Cc3cccc(Br)c3)S2)cc1 ZINC000008821165 556221922 /nfs/dbraw/zinc/22/19/22/556221922.db2.gz HCOAPXXISCCAIE-AQTBWJFISA-N 1 1 430.371 5.378 40 10 IKCBMO Cc1oc2ccc(O)c(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000017418543 556677097 /nfs/dbraw/zinc/67/70/97/556677097.db2.gz INPGQTSUSFGREI-ZIAGYGMSSA-N 1 1 442.943 5.270 40 10 IKCBMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4O)C=C3C)[nH]c2c1 ZINC000072320961 556709840 /nfs/dbraw/zinc/70/98/40/556709840.db2.gz NEKFVUNFQVQGOG-FUDKSRODSA-N 1 1 433.596 5.464 40 10 biogenic,in-vitro IKCBMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219238028 557232527 /nfs/dbraw/zinc/23/25/27/557232527.db2.gz VHEAOWLAJFIZLB-DHIUTWEWSA-N 1 1 433.640 5.646 40 10 IKCBMO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000222629485 557365228 /nfs/dbraw/zinc/36/52/28/557365228.db2.gz DEZNGKKCSTVOCW-UHFFFAOYSA-N 1 1 448.438 5.368 40 10 IKCBMO CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000222788565 557387091 /nfs/dbraw/zinc/38/70/91/557387091.db2.gz PIFBDGOOAPETKQ-DQEYMECFSA-N 1 1 447.652 5.328 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000001448581 568908918 /nfs/dbraw/zinc/90/89/18/568908918.db2.gz VNIJOMPBTBUBBP-XMMPIXPASA-N 1 1 429.516 5.962 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000002667762 569125785 /nfs/dbraw/zinc/12/57/85/569125785.db2.gz MFGPNBZKRBMEIK-RUZDIDTESA-N 1 1 443.543 6.270 40 10 IKCBMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044853965 569260346 /nfs/dbraw/zinc/26/03/46/569260346.db2.gz YKPVUCYTANCXTD-URXFXBBRSA-N 1 1 437.603 5.151 40 10 IKCBMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000044854086 569260403 /nfs/dbraw/zinc/26/04/03/569260403.db2.gz VHEAOWLAJFIZLB-XZOQPEGZSA-N 1 1 433.640 5.646 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000015441566 569516645 /nfs/dbraw/zinc/51/66/45/569516645.db2.gz VNIJOMPBTBUBBP-DEOSSOPVSA-N 1 1 429.516 5.962 40 10 IKCBMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)[NH+]1CCCC1)c(O)c1ccccc21 ZINC000015441715 569516673 /nfs/dbraw/zinc/51/66/73/569516673.db2.gz WPFPELDJDYOPHN-HSZRJFAPSA-N 1 1 430.504 5.357 40 10 IKCBMO