smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](COc1cccc2ccccc21)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002273205 180917599 /nfs/dbraw/zinc/91/75/99/180917599.db2.gz CNIUMNFDNVKUAK-OKZBNKHCSA-N 1 0 311.469 4.833 40 0 DJABRO CCCC[C@@H](CC)COCC([NH3+])COC[C@H](CC)CCCC ZINC000004416052 181108154 /nfs/dbraw/zinc/10/81/54/181108154.db2.gz WZCCZANRAPTJPI-QZTJIDSGSA-N 1 0 315.542 4.780 40 0 DJABRO CCC[C@@]1(O)C[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992027 181186681 /nfs/dbraw/zinc/18/66/81/181186681.db2.gz WIWFYRAALDRLRH-KVJIRVJXSA-N 1 0 323.480 4.972 40 0 DJABRO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000005045923 181195856 /nfs/dbraw/zinc/19/58/56/181195856.db2.gz ITKHXTZLDBGPSP-SFTDATJTSA-N 1 0 319.448 4.875 40 0 DJABRO CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951296 181299852 /nfs/dbraw/zinc/29/98/52/181299852.db2.gz WXGKDINBEFIPNV-SFHVURJKSA-N 1 0 316.489 4.595 40 0 DJABRO c1ccc(-c2nc3cc(C[NH2+]C4CCCCC4)ccc3o2)cc1 ZINC000216789432 201498666 /nfs/dbraw/zinc/49/86/66/201498666.db2.gz WXEQUZNQZSQFSS-UHFFFAOYSA-N 1 0 306.409 4.917 40 0 DJABRO CCOc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000008325280 181547755 /nfs/dbraw/zinc/54/77/55/181547755.db2.gz UDXHAHJKQOABTQ-OQNUJHGRSA-N 1 0 313.485 4.780 40 0 DJABRO COc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008494316 181559242 /nfs/dbraw/zinc/55/92/42/181559242.db2.gz RVCJPNJGTGFRDE-UHFFFAOYSA-N 1 0 321.464 4.763 40 0 DJABRO c1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000016480158 182046435 /nfs/dbraw/zinc/04/64/35/182046435.db2.gz SBBNQXRAFDRJBS-UHFFFAOYSA-N 1 0 303.405 4.555 40 0 DJABRO C[NH+](C)CC/C=C1/c2ccccc2CCSc2ccccc21 ZINC000017001510 182067585 /nfs/dbraw/zinc/06/75/85/182067585.db2.gz GWWQGFRDXYDRJG-WQRHYEAKSA-N 1 0 309.478 4.718 40 0 DJABRO CCCCC/[NH+]=c1/ccn(Cc2ccccc2)c2ccccc21 ZINC000017919916 182088221 /nfs/dbraw/zinc/08/82/21/182088221.db2.gz MMGAVKCAGQCFHS-XDOYNYLZSA-N 1 0 304.437 4.781 40 0 in-vitro DJABRO Clc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020565211 182233642 /nfs/dbraw/zinc/23/36/42/182233642.db2.gz WFNFOCDKYKTUBV-UHFFFAOYSA-N 1 0 319.235 4.807 40 0 DJABRO C[NH+](C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000021992582 182302358 /nfs/dbraw/zinc/30/23/58/182302358.db2.gz QUFZVVNFYXEIAK-QGZVFWFLSA-N 1 0 323.358 4.777 40 0 DJABRO Clc1cccc(Cl)c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073727 182307728 /nfs/dbraw/zinc/30/77/28/182307728.db2.gz OATCQYBWMAMJQV-UHFFFAOYSA-N 1 0 310.268 4.908 40 0 DJABRO CCOc1ccc2[nH+]c(C)cc(Nc3cc(C)cc(C)c3)c2c1 ZINC000041127702 183169927 /nfs/dbraw/zinc/16/99/27/183169927.db2.gz ZRSUIOHHJRYGGJ-UHFFFAOYSA-N 1 0 306.409 4.724 40 0 DJABRO CC1CC[NH+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000057762048 184051652 /nfs/dbraw/zinc/05/16/52/184051652.db2.gz LEJALUPVQKDUJC-UHFFFAOYSA-N 1 0 323.415 4.601 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219184 257124251 /nfs/dbraw/zinc/12/42/51/257124251.db2.gz VZHDDCMISYXPIT-LJQANCHMSA-N 1 0 315.505 4.707 40 0 DJABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072219242 257124398 /nfs/dbraw/zinc/12/43/98/257124398.db2.gz CLKXYWNZMZOTKY-IBGZPJMESA-N 1 0 315.505 4.563 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216725 257124885 /nfs/dbraw/zinc/12/48/85/257124885.db2.gz LMBNNZMVEKFEIJ-IBGZPJMESA-N 1 0 315.505 4.645 40 0 DJABRO CC(C)Sc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217471 257124986 /nfs/dbraw/zinc/12/49/86/257124986.db2.gz WEAUYCUZRXCSCP-GOSISDBHSA-N 1 0 312.482 4.919 40 0 DJABRO CC[C@H](C)Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213486 257125846 /nfs/dbraw/zinc/12/58/46/257125846.db2.gz OCNHBINLNOCLPC-QFBILLFUSA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214021 257126101 /nfs/dbraw/zinc/12/61/01/257126101.db2.gz ZYFMFOKEOBQHKG-GOSISDBHSA-N 1 0 301.478 4.619 40 0 DJABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213947 257126220 /nfs/dbraw/zinc/12/62/20/257126220.db2.gz VNCZLQMHXZBHJV-HXUWFJFHSA-N 1 0 321.468 4.773 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214202 257126295 /nfs/dbraw/zinc/12/62/95/257126295.db2.gz ODCVFFCHZJPZEO-IBGZPJMESA-N 1 0 309.457 4.642 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214276 257126501 /nfs/dbraw/zinc/12/65/01/257126501.db2.gz LIMMKBSSWKRSIE-LJQANCHMSA-N 1 0 309.457 4.787 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213980 257126721 /nfs/dbraw/zinc/12/67/21/257126721.db2.gz DILGFCLRKDEGFF-GOSISDBHSA-N 1 0 301.478 4.619 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212044 257127270 /nfs/dbraw/zinc/12/72/70/257127270.db2.gz IAIMRUZLPZROGM-FQEVSTJZSA-N 1 0 324.468 4.988 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213021 257127303 /nfs/dbraw/zinc/12/73/03/257127303.db2.gz AGJAHDZGQXUETK-GOSISDBHSA-N 1 0 303.494 4.642 40 0 DJABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213371 257127332 /nfs/dbraw/zinc/12/73/32/257127332.db2.gz RKAGPTYFLJXVLF-APWZRJJASA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212979 257127360 /nfs/dbraw/zinc/12/73/60/257127360.db2.gz XYIOYIDXAQCUNX-IBGZPJMESA-N 1 0 317.521 4.888 40 0 DJABRO CC(C)Oc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211985 257127621 /nfs/dbraw/zinc/12/76/21/257127621.db2.gz NNQKJCMYHMSVGE-IBGZPJMESA-N 1 0 310.441 4.596 40 0 DJABRO CCCCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007261291 333002876 /nfs/dbraw/zinc/00/28/76/333002876.db2.gz AOBNEEGKZHKVQF-UHFFFAOYSA-N 1 0 319.470 4.616 40 0 DJABRO CCCC[C@H]([C@@H](O)c1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC000001687277 517573228 /nfs/dbraw/zinc/57/32/28/517573228.db2.gz BEMRDDNCDPEKBZ-MOPGFXCFSA-N 1 0 305.506 4.918 40 0 DJABRO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008227213 563641809 /nfs/dbraw/zinc/64/18/09/563641809.db2.gz PWWMTLHILVHUJY-UHFFFAOYSA-N 1 0 310.224 4.682 40 0 DJABRO CCCC[C@H]([C@H](O)c1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC000001687275 563290902 /nfs/dbraw/zinc/29/09/02/563290902.db2.gz BEMRDDNCDPEKBZ-RTBURBONSA-N 1 0 305.506 4.918 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2ccc(Cl)cc2n1 ZINC000001591905 563286724 /nfs/dbraw/zinc/28/67/24/563286724.db2.gz OSABEOFBNZMBDI-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO O[C@@H](c1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001594045 563286881 /nfs/dbraw/zinc/28/68/81/563286881.db2.gz XJMZJRWEOUFEJY-OALUTQOASA-N 1 0 315.844 4.601 40 0 DJABRO CCOc1ccc2ccccc2c1[C@H](Cc1ccccc1)[NH2+]C ZINC000001667066 563289978 /nfs/dbraw/zinc/28/99/78/563289978.db2.gz YNKZJINAPSLABO-IBGZPJMESA-N 1 0 305.421 4.742 40 0 DJABRO OCCC[C@H]1CCCC[N@@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001666343 563290064 /nfs/dbraw/zinc/29/00/64/563290064.db2.gz MZJAOMVBIUPVTP-YADHBBJMSA-N 1 0 323.480 4.597 40 0 DJABRO C[C@@H]1CCCC[N@H+](CCN(Cc2ccccc2)c2ccccc2)C1 ZINC000001673514 563290744 /nfs/dbraw/zinc/29/07/44/563290744.db2.gz MUIDTOFJJQFYBB-HXUWFJFHSA-N 1 0 322.496 4.815 40 0 DJABRO CCC[NH+](CCC)C[C@H](O)c1ccc(Cl)c2ccccc21 ZINC000001683563 563291000 /nfs/dbraw/zinc/29/10/00/563291000.db2.gz KJPCWQGBJPXWSR-SFHVURJKSA-N 1 0 305.849 4.649 40 0 DJABRO C[NH+](C)CC/C=C1\c2ccccc2CCSc2ccccc21 ZINC000001688542 563291491 /nfs/dbraw/zinc/29/14/91/563291491.db2.gz GWWQGFRDXYDRJG-WOJGMQOQSA-N 1 0 309.478 4.718 40 0 DJABRO CC(C)[NH2+]CCCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001709183 563292410 /nfs/dbraw/zinc/29/24/10/563292410.db2.gz QLVVWXIIYFAPKU-AWEZNQCLSA-N 1 0 319.880 4.857 40 0 DJABRO C[NH+](C)CC/C=C1\c2ccccc2C=Nc2ccc(Cl)cc21 ZINC000002041619 563298350 /nfs/dbraw/zinc/29/83/50/563298350.db2.gz KGRYJYZBJQLPFW-CAOOACKPSA-N 1 0 310.828 4.787 40 0 DJABRO C[N@@H+]1CCC[C@@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567782 563432079 /nfs/dbraw/zinc/43/20/79/563432079.db2.gz AEHACZVHKAVVDK-KRWDZBQOSA-N 1 0 304.437 4.568 40 0 DJABRO CCCC[NH+](CCCC)CCc1c[nH]c2ccc(OC)cc12 ZINC000071255803 563498255 /nfs/dbraw/zinc/49/82/55/563498255.db2.gz WVGCRISHWANOTO-UHFFFAOYSA-N 1 0 302.462 4.621 40 0 DJABRO Nc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc[nH+]1 ZINC000084597219 563519955 /nfs/dbraw/zinc/51/99/55/563519955.db2.gz KTQSZJCWWPKLNW-UHFFFAOYSA-N 1 0 311.772 4.853 40 0 DJABRO Cc1ccc(Oc2ccccc2OCC[C@@H]2CCC[N@H+]2C)cc1 ZINC000585266219 563537207 /nfs/dbraw/zinc/53/72/07/563537207.db2.gz POYRTBGGUJLQBX-KRWDZBQOSA-N 1 0 311.425 4.650 40 0 DJABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccccc1 ZINC000008326734 563642359 /nfs/dbraw/zinc/64/23/59/563642359.db2.gz PSIUKFXVSFQTRL-INIZCTEOSA-N 1 0 313.441 4.552 40 0 DJABRO CC(C)(C)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000218903590 563717693 /nfs/dbraw/zinc/71/76/93/563717693.db2.gz BJCLLORLDDLFDU-WFXMLNOXSA-N 1 0 313.485 4.825 40 0 biogenic DJABRO CCC[NH2+]Cc1c2cc(OCCC)ccc2n(C(C)C)c1C ZINC000223767152 563735827 /nfs/dbraw/zinc/73/58/27/563735827.db2.gz ICVPAVGCCCWZCN-UHFFFAOYSA-N 1 0 302.462 4.819 40 0 DJABRO CCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC(C)C ZINC000223769445 563735820 /nfs/dbraw/zinc/73/58/20/563735820.db2.gz FKDYXPCVISHCCA-UHFFFAOYSA-N 1 0 302.462 4.502 40 0 DJABRO CCC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(CC)c1C ZINC000223767623 563735976 /nfs/dbraw/zinc/73/59/76/563735976.db2.gz CAPGHGVLIKWOAO-CQSZACIVSA-N 1 0 302.462 4.647 40 0 DJABRO c1ccc(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000031924077 563768945 /nfs/dbraw/zinc/76/89/45/563768945.db2.gz KUMFECJUUBSOPA-JOCHJYFZSA-N 1 0 301.433 4.803 40 0 DJABRO CC(C)C[C@H]([NH3+])COc1ccccc1Oc1ccc(Cl)cc1 ZINC000585263992 563781990 /nfs/dbraw/zinc/78/19/90/563781990.db2.gz WGDOKRQTUTWBPC-HNNXBMFYSA-N 1 0 319.832 4.885 40 0 DJABRO c1nc([C@@H]2CCCN2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251028 563792786 /nfs/dbraw/zinc/79/27/86/563792786.db2.gz JPCCDBWLTPDCJP-FQEVSTJZSA-N 1 0 318.420 4.603 40 0 DJABRO C[NH+](C)C[C@@H]1C[C@@H]1C1(C)c2ccccc2Sc2ccccc21 ZINC000001567576 568412309 /nfs/dbraw/zinc/41/23/09/568412309.db2.gz TYOMLDKWRBZLBY-YOEHRIQHSA-N 1 0 309.478 4.655 40 0 DJABRO c1csc(-c2ccc3c([C@H]4CCC[N@H+]4C4CCC4)ncn3c2)c1 ZINC000306125222 231083303 /nfs/dbraw/zinc/08/33/03/231083303.db2.gz CJUJYXZRUANZSQ-QGZVFWFLSA-N 1 0 323.465 4.752 40 0 DJABRO CCCC[C@H](CC)COCC([NH3+])COC[C@@H](CC)CCCC ZINC000004416051 181108018 /nfs/dbraw/zinc/10/80/18/181108018.db2.gz WZCCZANRAPTJPI-ROUUACIJSA-N 1 0 315.542 4.780 40 0 DJABRO C[C@H]1CCCC[N@H+](CCN(Cc2ccccc2)c2ccccc2)C1 ZINC000004522855 181119448 /nfs/dbraw/zinc/11/94/48/181119448.db2.gz MUIDTOFJJQFYBB-FQEVSTJZSA-N 1 0 322.496 4.815 40 0 DJABRO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@]23OCC[N@H+]13 ZINC000004769678 181149606 /nfs/dbraw/zinc/14/96/06/181149606.db2.gz PKMKJGOXZVPWQD-UEXGIBASSA-N 1 0 311.469 4.933 40 0 DJABRO CCC[C@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783482 181151780 /nfs/dbraw/zinc/15/17/80/181151780.db2.gz QLDXQGFRJQKUFN-FKBYEOEOSA-N 1 0 323.480 4.600 40 0 DJABRO CC(C)(C)c1cc(C(C)(C)C)c(OCC[NH3+])c(C(C)(C)C)c1 ZINC000005379775 181236369 /nfs/dbraw/zinc/23/63/69/181236369.db2.gz GLPQMGIANRNVPO-UHFFFAOYSA-N 1 0 305.506 4.917 40 0 DJABRO C/C=C(/CC[C@@H]1[NH2+]CC[C@@H]2c3ccccc3N[C@@H]21)[Si](C)(C)C ZINC000195516634 201397127 /nfs/dbraw/zinc/39/71/27/201397127.db2.gz NSHWEQKTJYYKNJ-SZEYLJSVSA-N 1 0 314.549 4.530 40 0 DJABRO CC(C)C[C@H]([NH3+])COc1ccccc1Oc1cccc(Cl)c1 ZINC000257328066 203051447 /nfs/dbraw/zinc/05/14/47/203051447.db2.gz XDZCWGXJBUIDBW-HNNXBMFYSA-N 1 0 319.832 4.885 40 0 DJABRO CCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000007261739 181450007 /nfs/dbraw/zinc/45/00/07/181450007.db2.gz DZVMUQRORWLULI-UHFFFAOYSA-N 1 0 303.833 4.809 40 0 DJABRO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000016480790 182046358 /nfs/dbraw/zinc/04/63/58/182046358.db2.gz OCFFDPRPDFRXBG-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO Clc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c1 ZINC000022076580 182308494 /nfs/dbraw/zinc/30/84/94/182308494.db2.gz NTVAWSIUPJMTPE-UHFFFAOYSA-N 1 0 311.812 4.932 40 0 DJABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)C1 ZINC000057762044 184051778 /nfs/dbraw/zinc/05/17/78/184051778.db2.gz FQSIKOKBKCRFEU-AWEZNQCLSA-N 1 0 323.415 4.601 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000072219591 257124507 /nfs/dbraw/zinc/12/45/07/257124507.db2.gz UUFDQBQRTFCNQB-OAQYLSRUSA-N 1 0 302.421 4.962 40 0 DJABRO CCCCNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213647 257126475 /nfs/dbraw/zinc/12/64/75/257126475.db2.gz QBSKGCLHJAMVKO-IBGZPJMESA-N 1 0 309.457 4.631 40 0 DJABRO CCN(CC)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212863 257127169 /nfs/dbraw/zinc/12/71/69/257127169.db2.gz IZXIHGLBKWNPSF-HXUWFJFHSA-N 1 0 323.484 4.655 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213035 257127307 /nfs/dbraw/zinc/12/73/07/257127307.db2.gz HPELRZRXBXXSBP-SFHVURJKSA-N 1 0 303.494 4.642 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212961 257127476 /nfs/dbraw/zinc/12/74/76/257127476.db2.gz TZNLNBFQQGEYML-GOSISDBHSA-N 1 0 303.494 4.642 40 0 DJABRO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(CC)cc23)c1 ZINC000062719695 257128780 /nfs/dbraw/zinc/12/87/80/257128780.db2.gz KSBPWMTWERHUQN-UHFFFAOYSA-N 1 0 320.392 4.718 40 0 DJABRO Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1ccc(Cl)cc1 ZINC000223664722 563735091 /nfs/dbraw/zinc/73/50/91/563735091.db2.gz GNAUVIOZFBZJFB-UHFFFAOYSA-N 1 0 304.865 4.552 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1nccc2cccc(Cl)c21 ZINC000001591908 563287048 /nfs/dbraw/zinc/28/70/48/563287048.db2.gz CNPYOSIWMDNAMU-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO CC[NH+](CC)CCCCCCCNc1nccc2ccccc21 ZINC000001666882 563289834 /nfs/dbraw/zinc/28/98/34/563289834.db2.gz GRORIRJKZDORDY-UHFFFAOYSA-N 1 0 313.489 4.939 40 0 DJABRO CC(C)CC[NH+](CCC(C)C)C[C@H](O)c1ccc(Cl)cc1 ZINC000001673234 563290417 /nfs/dbraw/zinc/29/04/17/563290417.db2.gz QIEWETWZFKLQFZ-SFHVURJKSA-N 1 0 311.897 4.768 40 0 DJABRO CC(C)C[C@H](C(=O)SC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000001706431 563292440 /nfs/dbraw/zinc/29/24/40/563292440.db2.gz AGAUFAOPIBCMNO-WMZOPIPTSA-N 1 0 319.514 4.560 40 0 DJABRO CCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000007261727 563337321 /nfs/dbraw/zinc/33/73/21/563337321.db2.gz YSPQCUBKHQYRHE-UHFFFAOYSA-N 1 0 303.833 4.809 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008326040 563346113 /nfs/dbraw/zinc/34/61/13/563346113.db2.gz VZUUJJSMKOVPLC-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO Cc1ccc(-c2nc3ccc(C)cn3c2NC2CCCC2)cc1 ZINC000000412111 563608286 /nfs/dbraw/zinc/60/82/86/563608286.db2.gz COCCCFYFUPVGSK-UHFFFAOYSA-N 1 0 305.425 4.973 40 0 DJABRO CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008227115 563641571 /nfs/dbraw/zinc/64/15/71/563641571.db2.gz VJWPKXMJGJAICO-UHFFFAOYSA-N 1 0 309.384 4.667 40 0 DJABRO CCOc1ccccc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008325610 563642094 /nfs/dbraw/zinc/64/20/94/563642094.db2.gz IEFSFPRMEMVZIL-NEFAXPCMSA-N 1 0 313.485 4.780 40 0 DJABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@H]1CC(C)=C(C)C[C@@H]1C ZINC000012660185 563652631 /nfs/dbraw/zinc/65/26/31/563652631.db2.gz NNRHSNHZPUZQPQ-VHFSOBRXSA-N 1 0 324.468 4.746 40 0 DJABRO Clc1ccc(Oc2ccccc2OCC[C@@H]2CCC[NH2+]2)cc1 ZINC000585265810 563782073 /nfs/dbraw/zinc/78/20/73/563782073.db2.gz QSHRURZZHICHJR-HNNXBMFYSA-N 1 0 317.816 4.653 40 0 DJABRO CC1CC[NH+](Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216788697 563851929 /nfs/dbraw/zinc/85/19/29/563851929.db2.gz BSTLMNZVJPZXLX-UHFFFAOYSA-N 1 0 306.409 4.727 40 0 DJABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789020 563852017 /nfs/dbraw/zinc/85/20/17/563852017.db2.gz GCSSQWKQHGWEIV-OAHLLOKOSA-N 1 0 306.409 4.869 40 0 DJABRO C[N+]1=C(C=CNc2ccccc2Cl)C(C)(C)c2ccccc21 ZINC000005002499 563920818 /nfs/dbraw/zinc/92/08/18/563920818.db2.gz INLNRLHCCRTOEN-UHFFFAOYSA-O 1 0 311.836 4.972 40 0 DJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000007538153 568412424 /nfs/dbraw/zinc/41/24/24/568412424.db2.gz RZHTTWXPNGJABI-UHFFFAOYSA-N 1 0 324.251 4.990 40 0 DJABRO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1 ZINC000007539389 568412409 /nfs/dbraw/zinc/41/24/09/568412409.db2.gz GLZQGBQXPJDUDB-UHFFFAOYSA-N 1 0 313.441 4.552 40 0 DJABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358316 191130629 /nfs/dbraw/zinc/13/06/29/191130629.db2.gz DGWKJYJVCUIECA-GOSISDBHSA-N 1 0 321.468 4.574 40 0 DJABRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416936 181107852 /nfs/dbraw/zinc/10/78/52/181107852.db2.gz VNDDEBGUROKITD-BEFAXECRSA-N 1 0 317.860 4.674 40 0 DJABRO Cc1ccc([C@H](OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000004429664 181109303 /nfs/dbraw/zinc/10/93/03/181109303.db2.gz UHZGETFOMOYETC-IUPYZPJSSA-N 1 0 321.464 4.726 40 0 DJABRO CC[NH+](CC)C/C=C\[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000005179621 181213860 /nfs/dbraw/zinc/21/38/60/181213860.db2.gz RGILJHRZERHZFJ-AFNCTOJWSA-N 1 0 317.864 4.587 40 0 DJABRO FC(F)(F)c1cccc(Cc2ccc([C@@H]3CCCC[NH2+]3)cn2)c1 ZINC000257280007 203008034 /nfs/dbraw/zinc/00/80/34/203008034.db2.gz OJBZZEJTYCHPMS-KRWDZBQOSA-N 1 0 320.358 4.506 40 0 DJABRO CCCCCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000007261041 181450222 /nfs/dbraw/zinc/45/02/22/181450222.db2.gz BKXQISCHXPYDAN-UHFFFAOYSA-N 1 0 303.471 4.997 40 0 DJABRO c1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000016479402 182046274 /nfs/dbraw/zinc/04/62/74/182046274.db2.gz AWDFEHBNLNAOSP-UHFFFAOYSA-N 1 0 317.432 4.598 40 0 DJABRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccnc3ccccc23)on1 ZINC000019120335 182105331 /nfs/dbraw/zinc/10/53/31/182105331.db2.gz PAIQRBOMDQRQJE-LJQANCHMSA-N 1 0 321.424 4.649 40 0 DJABRO Clc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000021014035 182261013 /nfs/dbraw/zinc/26/10/13/182261013.db2.gz RAZIQOAODTZLJM-UHFFFAOYSA-N 1 0 319.235 4.807 40 0 DJABRO Clc1ccc(COc2ccccc2C[NH2+]C2CCCC2)cc1 ZINC000022074219 182307619 /nfs/dbraw/zinc/30/76/19/182307619.db2.gz MDKCLRDISRJKJC-UHFFFAOYSA-N 1 0 315.844 4.951 40 0 DJABRO CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000040400792 183061283 /nfs/dbraw/zinc/06/12/83/183061283.db2.gz VBCOMVRSDHFOFD-UHFFFAOYSA-N 1 0 320.392 4.854 40 0 DJABRO Cc1nc(Sc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224233 257123106 /nfs/dbraw/zinc/12/31/06/257123106.db2.gz MXGXWWDPRICGFE-LJQANCHMSA-N 1 0 306.434 4.589 40 0 DJABRO Cc1cc(Sc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223191 257123168 /nfs/dbraw/zinc/12/31/68/257123168.db2.gz NCCMDLFAVJFGIB-IBGZPJMESA-N 1 0 306.434 4.589 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219304 257124041 /nfs/dbraw/zinc/12/40/41/257124041.db2.gz NRWDCJDRFTYQBX-LJQANCHMSA-N 1 0 315.505 4.707 40 0 DJABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219182 257124321 /nfs/dbraw/zinc/12/43/21/257124321.db2.gz ZEOFKUFMWKMMLC-IBGZPJMESA-N 1 0 315.505 4.563 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219244 257124490 /nfs/dbraw/zinc/12/44/90/257124490.db2.gz AXJHMAVARXGMCS-LJQANCHMSA-N 1 0 315.505 4.707 40 0 DJABRO CCCCNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213648 257126060 /nfs/dbraw/zinc/12/60/60/257126060.db2.gz QBSKGCLHJAMVKO-LJQANCHMSA-N 1 0 309.457 4.631 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214278 257126527 /nfs/dbraw/zinc/12/65/27/257126527.db2.gz OPQVQKCEWMQBBU-LJQANCHMSA-N 1 0 309.457 4.785 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213865 257126621 /nfs/dbraw/zinc/12/66/21/257126621.db2.gz WZQOYIJZSBKROL-FQEVSTJZSA-N 1 0 321.468 4.773 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212962 257126997 /nfs/dbraw/zinc/12/69/97/257126997.db2.gz TZNLNBFQQGEYML-SFHVURJKSA-N 1 0 303.494 4.642 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212024 257127320 /nfs/dbraw/zinc/12/73/20/257127320.db2.gz HIDFCUVOYVXBHY-LJQANCHMSA-N 1 0 310.441 4.598 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212040 257127595 /nfs/dbraw/zinc/12/75/95/257127595.db2.gz IMLQVXMELQTFGT-IBGZPJMESA-N 1 0 310.441 4.596 40 0 DJABRO C[NH+](C)[C@@H](Cc1ccccc1)C1(c2ccc(Cl)cc2)CCC1 ZINC000504454561 257146679 /nfs/dbraw/zinc/14/66/79/257146679.db2.gz LHZSUCMYGFCXNC-IBGZPJMESA-N 1 0 313.872 4.935 40 0 DJABRO CCC(C)(C)c1ccc(C[C@H](C)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000031260966 521370146 /nfs/dbraw/zinc/37/01/46/521370146.db2.gz MQHLMHIZUIDKOO-BZSNNMDCSA-N 1 0 317.517 4.662 40 0 DJABRO O[C@H](c1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001594046 563286734 /nfs/dbraw/zinc/28/67/34/563286734.db2.gz XJMZJRWEOUFEJY-RBUKOAKNSA-N 1 0 315.844 4.601 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1nccc2c(Cl)cccc21 ZINC000001591907 563286935 /nfs/dbraw/zinc/28/69/35/563286935.db2.gz XRTLIRBMJKGLAX-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO CC[NH+](CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000001649608 563289280 /nfs/dbraw/zinc/28/92/80/563289280.db2.gz OCEZMTQNMCZATA-UHFFFAOYSA-N 1 0 315.388 4.533 40 0 DJABRO CCC[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000001670652 563290765 /nfs/dbraw/zinc/29/07/65/563290765.db2.gz QLDXQGFRJQKUFN-FDFHNCONSA-N 1 0 323.480 4.600 40 0 DJABRO CC(C)[C@H](C(=O)CC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000001848466 563296594 /nfs/dbraw/zinc/29/65/94/563296594.db2.gz CZUZKESIAYBZFZ-SFHVURJKSA-N 1 0 307.865 4.525 40 0 DJABRO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000002037081 563298250 /nfs/dbraw/zinc/29/82/50/563298250.db2.gz QIEWETWZFKLQFZ-GOSISDBHSA-N 1 0 311.897 4.768 40 0 DJABRO Cc1ccc(C[NH+]2CCC3(CCc4ccc(C)cc43)CC2)s1 ZINC000096052545 563532332 /nfs/dbraw/zinc/53/23/32/563532332.db2.gz FAHWTLLFMWJTDP-UHFFFAOYSA-N 1 0 311.494 4.845 40 0 DJABRO Cc1ccc(Oc2cc(F)ccc2OC[C@@H]([NH3+])CC(C)C)cc1 ZINC000585263984 563537247 /nfs/dbraw/zinc/53/72/47/563537247.db2.gz TVBITCCRHYXXSM-INIZCTEOSA-N 1 0 317.404 4.679 40 0 DJABRO C[NH+](C)CCCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585266223 563537275 /nfs/dbraw/zinc/53/72/75/563537275.db2.gz PTLILMKUSSQDAO-UHFFFAOYSA-N 1 0 323.795 4.602 40 0 DJABRO CC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006882552 563639072 /nfs/dbraw/zinc/63/90/72/563639072.db2.gz SKHURRJNTPOWOT-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006883556 563639113 /nfs/dbraw/zinc/63/91/13/563639113.db2.gz YBPURMAJPBHOOU-UHFFFAOYSA-N 1 0 321.823 4.804 40 0 DJABRO CC(C)C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006883664 563639173 /nfs/dbraw/zinc/63/91/73/563639173.db2.gz GOBRPPPOJCKOSX-UHFFFAOYSA-N 1 0 303.833 4.665 40 0 DJABRO CCCCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007261058 563639806 /nfs/dbraw/zinc/63/98/06/563639806.db2.gz IDVCBCYIKWMZOL-HNNXBMFYSA-N 1 0 301.430 4.670 40 0 DJABRO CCCCn1c(C)c(C[NH2+]C)c2cc(O[C@@H](C)CC)ccc21 ZINC000223760904 563735834 /nfs/dbraw/zinc/73/58/34/563735834.db2.gz PGTQUZOOFVWVEA-AWEZNQCLSA-N 1 0 302.462 4.647 40 0 DJABRO CC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(CC(C)C)c1C ZINC000223765077 563735865 /nfs/dbraw/zinc/73/58/65/563735865.db2.gz BVPNINSQWBCEMX-OAHLLOKOSA-N 1 0 316.489 4.893 40 0 DJABRO CCC[N@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250067 563913352 /nfs/dbraw/zinc/91/33/52/563913352.db2.gz FICMSNKNADJVFH-UHFFFAOYSA-N 1 0 318.420 4.994 40 0 DJABRO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010365195 563922662 /nfs/dbraw/zinc/92/26/62/563922662.db2.gz RRJDEXVCFBMTJK-UHFFFAOYSA-N 1 0 322.452 4.658 40 0 DJABRO C[NH+](C)C[C@H]1C[C@H]1C1(C)c2ccccc2Sc2ccccc21 ZINC000001567579 568412182 /nfs/dbraw/zinc/41/21/82/568412182.db2.gz TYOMLDKWRBZLBY-RHSMWYFYSA-N 1 0 309.478 4.655 40 0 DJABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348564 191127720 /nfs/dbraw/zinc/12/77/20/191127720.db2.gz QMZFULKHSQHCKF-CQSZACIVSA-N 1 0 320.358 4.577 40 0 DJABRO C[NH+](C)[C@@H]1c2cc3ccccc3nc2-c2ccccc2C1(C)C ZINC000002046451 180908138 /nfs/dbraw/zinc/90/81/38/180908138.db2.gz XMYVYLRYYHOQKI-HXUWFJFHSA-N 1 0 302.421 4.796 40 0 DJABRO CCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000003997922 181060561 /nfs/dbraw/zinc/06/05/61/181060561.db2.gz LNIGRARLURFSQQ-FIRPJDEBSA-N 1 0 309.453 4.630 40 0 DJABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1Cc1ccccc1 ZINC000004411297 181107408 /nfs/dbraw/zinc/10/74/08/181107408.db2.gz DTDSPIAJPFKPGJ-GOSISDBHSA-N 1 0 309.453 4.531 40 0 DJABRO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@]23OCC[N@H+]13 ZINC000004769676 181149672 /nfs/dbraw/zinc/14/96/72/181149672.db2.gz PKMKJGOXZVPWQD-WFXMLNOXSA-N 1 0 311.469 4.933 40 0 DJABRO CCCCCCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005973045 181302988 /nfs/dbraw/zinc/30/29/88/181302988.db2.gz WTQQCGXMPQXPMY-IBGZPJMESA-N 1 0 317.473 4.727 40 0 DJABRO C/C=C(\CC[C@H]1[NH2+]CCc2c3ccccc3[nH]c21)[Si](C)(C)C ZINC000195498433 201395913 /nfs/dbraw/zinc/39/59/13/201395913.db2.gz MWWNDHSQBOESHH-YQZWLSSOSA-N 1 0 312.533 4.959 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1F ZINC000022074680 182307715 /nfs/dbraw/zinc/30/77/15/182307715.db2.gz BKAFKZRHFKZSGB-UHFFFAOYSA-N 1 0 323.411 4.710 40 0 DJABRO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000022076483 182308481 /nfs/dbraw/zinc/30/84/81/182308481.db2.gz NFEGZIKYBNVJHU-UHFFFAOYSA-N 1 0 313.347 4.557 40 0 DJABRO Clc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000022076529 182308675 /nfs/dbraw/zinc/30/86/75/182308675.db2.gz KNHFVNIOGYWSDL-UHFFFAOYSA-N 1 0 311.812 4.932 40 0 DJABRO Cc1cc(SC2CCCCC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223846 257123241 /nfs/dbraw/zinc/12/32/41/257123241.db2.gz HIYDKFIOIIQOIO-LJQANCHMSA-N 1 0 312.482 4.863 40 0 DJABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072219243 257123944 /nfs/dbraw/zinc/12/39/44/257123944.db2.gz CLKXYWNZMZOTKY-LJQANCHMSA-N 1 0 315.505 4.563 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219245 257124282 /nfs/dbraw/zinc/12/42/82/257124282.db2.gz AXJHMAVARXGMCS-IBGZPJMESA-N 1 0 315.505 4.707 40 0 DJABRO CC(C)Sc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217530 257124890 /nfs/dbraw/zinc/12/48/90/257124890.db2.gz HIGPNYLXXJDMCG-SFHVURJKSA-N 1 0 312.482 4.919 40 0 DJABRO CCSc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217147 257125225 /nfs/dbraw/zinc/12/52/25/257125225.db2.gz IIEQWPMJAPQYMH-SFHVURJKSA-N 1 0 312.482 4.921 40 0 DJABRO Cc1nc(Cl)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217926 257125532 /nfs/dbraw/zinc/12/55/32/257125532.db2.gz JMHUGKSATSXNFM-KRWDZBQOSA-N 1 0 300.833 4.771 40 0 DJABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000072217807 257125613 /nfs/dbraw/zinc/12/56/13/257125613.db2.gz KUWDOMMOMFXWNH-QGZVFWFLSA-N 1 0 300.833 4.771 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213982 257126130 /nfs/dbraw/zinc/12/61/30/257126130.db2.gz KYXGEVGOZYMPOR-GOSISDBHSA-N 1 0 301.478 4.763 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214261 257126432 /nfs/dbraw/zinc/12/64/32/257126432.db2.gz AGGXGJTVCZBURR-LJQANCHMSA-N 1 0 309.457 4.642 40 0 DJABRO C[NH+](C)[C@H](Cc1ccccc1)C1(c2ccc(Cl)cc2)CCC1 ZINC000504454562 257146622 /nfs/dbraw/zinc/14/66/22/257146622.db2.gz LHZSUCMYGFCXNC-LJQANCHMSA-N 1 0 313.872 4.935 40 0 DJABRO CCn1c2ccccc2c2ccc(C(=O)CC[NH+](CC)CC)cc21 ZINC000001710640 563292645 /nfs/dbraw/zinc/29/26/45/563292645.db2.gz NYNWPBQZXYLUGH-UHFFFAOYSA-N 1 0 322.452 4.729 40 0 DJABRO C[N@H+](CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001724567 563293936 /nfs/dbraw/zinc/29/39/36/563293936.db2.gz IKUSCBOQDLHKRC-UHFFFAOYSA-N 1 0 303.405 4.545 40 0 DJABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCC ZINC000007260989 563337302 /nfs/dbraw/zinc/33/73/02/563337302.db2.gz CPPQWEQEYMAJTK-UHFFFAOYSA-N 1 0 314.267 4.518 40 0 DJABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000007260970 563337315 /nfs/dbraw/zinc/33/73/15/563337315.db2.gz MYBWYBVQGIEBEU-UHFFFAOYSA-N 1 0 313.869 4.807 40 0 DJABRO CCOc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008324491 563345914 /nfs/dbraw/zinc/34/59/14/563345914.db2.gz FVVZNUYOMLCZHU-UHFFFAOYSA-N 1 0 319.876 4.653 40 0 DJABRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008535308 563347299 /nfs/dbraw/zinc/34/72/99/563347299.db2.gz ZJWRMQHITANSTQ-LLVKDONJSA-N 1 0 310.224 4.853 40 0 DJABRO C[NH+](C)[C@H](CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000011678767 563359139 /nfs/dbraw/zinc/35/91/39/563359139.db2.gz CWLFFSMYYURBLY-OAQYLSRUSA-N 1 0 305.421 4.912 40 0 DJABRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628041 563440627 /nfs/dbraw/zinc/44/06/27/563440627.db2.gz ZIIWILKHOWBKRY-QGZVFWFLSA-N 1 0 324.251 4.549 40 0 DJABRO Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000035572445 563453427 /nfs/dbraw/zinc/45/34/27/563453427.db2.gz YAWLVQVFIVIOOX-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO Brc1ccc(C[NH2+]C2CCCC2)c2ccccc12 ZINC000085395423 563569013 /nfs/dbraw/zinc/56/90/13/563569013.db2.gz XTEZPLWXVRUYGY-UHFFFAOYSA-N 1 0 304.231 4.635 40 0 DJABRO CC(=O)Nc1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000000303325 563607578 /nfs/dbraw/zinc/60/75/78/563607578.db2.gz KSQUXLWSQGOPOX-UHFFFAOYSA-N 1 0 305.381 4.554 40 0 DJABRO CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008227304 563641758 /nfs/dbraw/zinc/64/17/58/563641758.db2.gz WJKPVLQJTPUJPG-UHFFFAOYSA-N 1 0 310.224 4.682 40 0 DJABRO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008326696 563642108 /nfs/dbraw/zinc/64/21/08/563642108.db2.gz POPBEZWOBXSIAY-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO CCOc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000008325189 563642306 /nfs/dbraw/zinc/64/23/06/563642306.db2.gz QGKXKCGTEYLTRR-DLIHROTGSA-N 1 0 313.485 4.924 40 0 DJABRO CCOc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000008325273 563642322 /nfs/dbraw/zinc/64/23/22/563642322.db2.gz UDXHAHJKQOABTQ-MEOONVRBSA-N 1 0 313.485 4.780 40 0 DJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000008253435 563642327 /nfs/dbraw/zinc/64/23/27/563642327.db2.gz QFMCYSZILIOXFJ-UHFFFAOYSA-N 1 0 310.224 4.682 40 0 DJABRO Clc1ccc(Oc2ccccc2OCC[NH+]2CCCC2)cc1 ZINC000003610760 563680848 /nfs/dbraw/zinc/68/08/48/563680848.db2.gz GETBMRRTXZOLKS-UHFFFAOYSA-N 1 0 317.816 4.607 40 0 DJABRO Fc1cccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)c1 ZINC000216841619 563711504 /nfs/dbraw/zinc/71/15/04/563711504.db2.gz GGPWNNBFAFBGAW-UHFFFAOYSA-N 1 0 310.372 4.620 40 0 DJABRO Fc1ccc(NC2[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000057773352 563721180 /nfs/dbraw/zinc/72/11/80/563721180.db2.gz XDQSNTYKBQQDSI-HTZLVSCSSA-N 1 0 324.443 4.538 40 0 DJABRO CCC[NH2+][C@@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222636828 563726798 /nfs/dbraw/zinc/72/67/98/563726798.db2.gz GJFWFPLBZVIFHT-SFHVURJKSA-N 1 0 313.441 4.725 40 0 DJABRO CCCC[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C ZINC000223664652 563735266 /nfs/dbraw/zinc/73/52/66/563735266.db2.gz ZARHSCOWUOISOC-UHFFFAOYSA-N 1 0 304.865 4.696 40 0 DJABRO CCCn1c(C)c(C[NH2+]CC)c2cc(O[C@H](C)CC)ccc21 ZINC000223764706 563735800 /nfs/dbraw/zinc/73/58/00/563735800.db2.gz OAQOXIZBRPIIGW-CQSZACIVSA-N 1 0 302.462 4.647 40 0 DJABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(OC(C)C)ccc21 ZINC000223763085 563735858 /nfs/dbraw/zinc/73/58/58/563735858.db2.gz IKYIWUBIDWJAJV-UHFFFAOYSA-N 1 0 302.462 4.647 40 0 DJABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC(C)C ZINC000223761104 563735866 /nfs/dbraw/zinc/73/58/66/563735866.db2.gz YSRKYHJLPNMINV-AWEZNQCLSA-N 1 0 302.462 4.502 40 0 DJABRO CCCn1c(C)c(C[NH2+]CC)c2cc(O[C@@H](C)CC)ccc21 ZINC000223764665 563735886 /nfs/dbraw/zinc/73/58/86/563735886.db2.gz OAQOXIZBRPIIGW-AWEZNQCLSA-N 1 0 302.462 4.647 40 0 DJABRO Fc1ccccc1-c1nc2cc(C[NH2+]C3CCCC3)ccc2o1 ZINC000216790972 563851828 /nfs/dbraw/zinc/85/18/28/563851828.db2.gz MSFAESQBLHUWLS-UHFFFAOYSA-N 1 0 310.372 4.666 40 0 DJABRO Fc1ccc(C[N@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000216784642 563851978 /nfs/dbraw/zinc/85/19/78/563851978.db2.gz MAPJBFMSGPITLP-UHFFFAOYSA-N 1 0 324.424 4.725 40 0 DJABRO c1csc(-c2ccc3c([C@@H]4CCC[N@H+]4C4CCC4)ncn3c2)c1 ZINC000306125221 231084417 /nfs/dbraw/zinc/08/44/17/231084417.db2.gz CJUJYXZRUANZSQ-KRWDZBQOSA-N 1 0 323.465 4.752 40 0 DJABRO OCCC[C@H]1CCCC[N@@H+]1[C@H](Cc1ccccc1)c1ccccc1 ZINC000004777650 181151100 /nfs/dbraw/zinc/15/11/00/181151100.db2.gz MZJAOMVBIUPVTP-FGZHOGPDSA-N 1 0 323.480 4.597 40 0 DJABRO CCC[C@@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783483 181151792 /nfs/dbraw/zinc/15/17/92/181151792.db2.gz QLDXQGFRJQKUFN-BHDDXSALSA-N 1 0 323.480 4.600 40 0 DJABRO CCC[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783484 181152068 /nfs/dbraw/zinc/15/20/68/181152068.db2.gz QLDXQGFRJQKUFN-BDTNDASRSA-N 1 0 323.480 4.600 40 0 DJABRO CC(C)[NH2+]CCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000005455426 181245359 /nfs/dbraw/zinc/24/53/59/181245359.db2.gz QLVVWXIIYFAPKU-CQSZACIVSA-N 1 0 319.880 4.857 40 0 DJABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(F)c2ccccc21 ZINC000005973436 181302968 /nfs/dbraw/zinc/30/29/68/181302968.db2.gz OEYJQIZVCYNDQQ-HXUWFJFHSA-N 1 0 317.448 4.915 40 0 DJABRO CC(C)C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006883660 181401253 /nfs/dbraw/zinc/40/12/53/181401253.db2.gz DJDWCWMFBUGGRW-UHFFFAOYSA-N 1 0 303.833 4.665 40 0 DJABRO CCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000007261354 181449835 /nfs/dbraw/zinc/44/98/35/181449835.db2.gz WQVMMHWKCHCNPW-UHFFFAOYSA-N 1 0 301.405 4.685 40 0 DJABRO Brc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000007524896 181472663 /nfs/dbraw/zinc/47/26/63/181472663.db2.gz GUKYPMGQABHFQN-UHFFFAOYSA-N 1 0 320.230 4.741 40 0 DJABRO Cc1cc(-c2ccc(C[NH2+]C(C)(C)C)o2)ccc1Br ZINC000020875731 182251415 /nfs/dbraw/zinc/25/14/15/182251415.db2.gz XSEAINWRGUGJLH-UHFFFAOYSA-N 1 0 322.246 4.906 40 0 DJABRO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000020875871 182251584 /nfs/dbraw/zinc/25/15/84/182251584.db2.gz UGGYLVXVSIJBOP-UHFFFAOYSA-N 1 0 322.246 4.906 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000022074384 182307675 /nfs/dbraw/zinc/30/76/75/182307675.db2.gz ZFZMHIJMNKXTCR-UHFFFAOYSA-N 1 0 305.421 4.571 40 0 DJABRO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000022076495 182308385 /nfs/dbraw/zinc/30/83/85/182308385.db2.gz VRYKXPUCTZEFEP-UHFFFAOYSA-N 1 0 313.347 4.557 40 0 DJABRO COc1ccc2c(c1)/C(=C/CC[NH+](C)C)c1ccccc1S2 ZINC000031937746 182629482 /nfs/dbraw/zinc/62/94/82/182629482.db2.gz ISHNPOMLQRKDEC-OVCLIPMQSA-N 1 0 311.450 4.543 40 0 DJABRO Cc1cc(SCc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223459 257123092 /nfs/dbraw/zinc/12/30/92/257123092.db2.gz JEQWHOJUKMQEPL-FQEVSTJZSA-N 1 0 320.461 4.730 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216724 257125218 /nfs/dbraw/zinc/12/52/18/257125218.db2.gz LMBNNZMVEKFEIJ-LJQANCHMSA-N 1 0 315.505 4.645 40 0 DJABRO CCSc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217148 257125228 /nfs/dbraw/zinc/12/52/28/257125228.db2.gz IIEQWPMJAPQYMH-GOSISDBHSA-N 1 0 312.482 4.921 40 0 DJABRO Cc1cc(Cl)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217866 257125373 /nfs/dbraw/zinc/12/53/73/257125373.db2.gz YCMRDAODIFXEIV-KRWDZBQOSA-N 1 0 300.833 4.771 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214023 257125850 /nfs/dbraw/zinc/12/58/50/257125850.db2.gz DZCHERDJVHWBPM-GOSISDBHSA-N 1 0 301.478 4.763 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213924 257126574 /nfs/dbraw/zinc/12/65/74/257126574.db2.gz GBMXVOBFANBLLC-HXUWFJFHSA-N 1 0 321.468 4.773 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212100 257127206 /nfs/dbraw/zinc/12/72/06/257127206.db2.gz MIXQLRAQWCDJJG-IBGZPJMESA-N 1 0 310.441 4.596 40 0 DJABRO CCCNc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213161 257127294 /nfs/dbraw/zinc/12/72/94/257127294.db2.gz PIKDSEKFDGLOJQ-LJQANCHMSA-N 1 0 309.457 4.631 40 0 DJABRO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213485 257127450 /nfs/dbraw/zinc/12/74/50/257127450.db2.gz OCNHBINLNOCLPC-VQIMIIECSA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)C[NH2+]CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001709184 563292370 /nfs/dbraw/zinc/29/23/70/563292370.db2.gz CBBFLDVNDJJDFT-AWEZNQCLSA-N 1 0 319.880 4.714 40 0 DJABRO CC(C)[NH+](C(C)C)P1N(C(C)(C)C)N=NN1C(C)(C)C ZINC000001584737 563286170 /nfs/dbraw/zinc/28/61/70/563286170.db2.gz GVDKKBKHACHEST-UHFFFAOYSA-N 1 0 301.419 4.829 40 0 DJABRO [NH2+]=C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001583665 563286233 /nfs/dbraw/zinc/28/62/33/563286233.db2.gz NCOWORPHWSHKFL-UHFFFAOYSA-N 1 0 300.405 4.714 40 0 DJABRO C[NH+]1CCC(CN2c3ccccc3Sc3ccccc32)CC1 ZINC000003642710 563325605 /nfs/dbraw/zinc/32/56/05/563325605.db2.gz DLAKWHKNGHJWKA-UHFFFAOYSA-N 1 0 310.466 4.631 40 0 in-vitro DJABRO CCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000007261723 563337260 /nfs/dbraw/zinc/33/72/60/563337260.db2.gz CHTCVESXNVLCOY-UHFFFAOYSA-N 1 0 303.833 4.809 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008325931 563345838 /nfs/dbraw/zinc/34/58/38/563345838.db2.gz DDBWFJYFAFRTFJ-CYBMUJFWSA-N 1 0 321.823 4.946 40 0 DJABRO CCOc1c(Cl)cc(C[NH2+]C2CCCCC2)cc1Cl ZINC000010435751 563357034 /nfs/dbraw/zinc/35/70/34/563357034.db2.gz UEFPYVDBOUAXMM-UHFFFAOYSA-N 1 0 302.245 4.814 40 0 DJABRO C[C@@H]([NH2+]Cc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 ZINC000096510701 563486274 /nfs/dbraw/zinc/48/62/74/563486274.db2.gz YHROQARFMQVDNG-LFPRZYRFSA-N 1 0 308.469 4.862 40 0 DJABRO Cc1ccc(Oc2ccccc2OC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000585266212 563537094 /nfs/dbraw/zinc/53/70/94/563537094.db2.gz OEVWRWVZZXLKCF-KRWDZBQOSA-N 1 0 311.425 4.508 40 0 DJABRO C[N@H+]1CC=C(/C=C/c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000005002429 563623657 /nfs/dbraw/zinc/62/36/57/563623657.db2.gz BCEFSJNCRSCTJL-VOTSOKGWSA-N 1 0 322.433 4.831 40 0 DJABRO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006883562 563639290 /nfs/dbraw/zinc/63/92/90/563639290.db2.gz IFIRQJPTDQAZMW-UHFFFAOYSA-N 1 0 303.833 4.665 40 0 DJABRO CC[NH2+]Cc1c2cc(OC(C)C)ccc2n(CC(C)C)c1C ZINC000223763163 563735859 /nfs/dbraw/zinc/73/58/59/563735859.db2.gz YYZXOODBXNLYOB-UHFFFAOYSA-N 1 0 302.462 4.502 40 0 DJABRO Clc1ccccc1-c1nc2cc(C[NH+]3CCCC3)ccc2o1 ZINC000216798832 563852250 /nfs/dbraw/zinc/85/22/50/563852250.db2.gz RLUBMQYFHUMNMW-UHFFFAOYSA-N 1 0 312.800 4.744 40 0 DJABRO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000007538148 568412401 /nfs/dbraw/zinc/41/24/01/568412401.db2.gz XSWMWCHFPMRCAH-UHFFFAOYSA-N 1 0 310.224 4.600 40 0 DJABRO CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C ZINC000067890031 190731009 /nfs/dbraw/zinc/73/10/09/190731009.db2.gz HELRIWFHRGAKJO-APWZRJJASA-N 1 0 318.505 4.753 40 0 biogenic,in-vitro DJABRO Cc1ccccc1-c1cncc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000072359257 191129729 /nfs/dbraw/zinc/12/97/29/191129729.db2.gz OGONOHBOUZEAHM-UHFFFAOYSA-N 1 0 321.468 4.574 40 0 DJABRO CCCCc1ccccc1C(=O)CC[NH+]1CC2CCC(CC2)C1 ZINC000001615805 180879209 /nfs/dbraw/zinc/87/92/09/180879209.db2.gz TUFLTBQUNGELKL-UHFFFAOYSA-N 1 0 313.485 4.724 40 0 DJABRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004030992 181065137 /nfs/dbraw/zinc/06/51/37/181065137.db2.gz XGRXZYRAXFHXCA-ACRUOGEOSA-N 1 0 309.453 4.518 40 0 DJABRO CCC[C@@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000003997924 181060226 /nfs/dbraw/zinc/06/02/26/181060226.db2.gz LNIGRARLURFSQQ-LRGNLBRXSA-N 1 0 309.453 4.630 40 0 DJABRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416937 181108279 /nfs/dbraw/zinc/10/82/79/181108279.db2.gz VNDDEBGUROKITD-KXBFYZLASA-N 1 0 317.860 4.674 40 0 DJABRO Cc1cc2cc(C)c(SCC[NH+]3CCCCC3)nc2cc1C ZINC000004936996 181175568 /nfs/dbraw/zinc/17/55/68/181175568.db2.gz NBBZFMPKQXLXHQ-UHFFFAOYSA-N 1 0 314.498 4.738 40 0 DJABRO CC[NH+](CC)CCC1=NC(C)(C)Cc2c3ccccc3ccc21 ZINC000005469521 181247522 /nfs/dbraw/zinc/24/75/22/181247522.db2.gz ZJPIGGRFGQKNBF-UHFFFAOYSA-N 1 0 308.469 4.696 40 0 DJABRO c1ccc(Cc2ccccc2OCCC[NH+]2CCCCC2)cc1 ZINC000005603730 181263172 /nfs/dbraw/zinc/26/31/72/181263172.db2.gz LCTURVVSMLZEIM-UHFFFAOYSA-N 1 0 309.453 4.532 40 0 DJABRO c1cnc2c(c1)cccc2SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005997866 181304477 /nfs/dbraw/zinc/30/44/77/181304477.db2.gz AGHBXQNGLDCAHT-IAGOWNOFSA-N 1 0 312.482 4.591 40 0 DJABRO c1ccc(C[C@H]([NH2+]C2CCCCC2)c2ccc3c(c2)OCO3)cc1 ZINC000006580593 181356592 /nfs/dbraw/zinc/35/65/92/181356592.db2.gz BDLLBNLVVMJMIJ-IBGZPJMESA-N 1 0 323.436 4.621 40 0 DJABRO Clc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1Cl ZINC000016383875 182042935 /nfs/dbraw/zinc/04/29/35/182042935.db2.gz UWZQNVWSZMOMHL-UHFFFAOYSA-N 1 0 310.268 4.908 40 0 DJABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2CC2)c1 ZINC000016449935 182045119 /nfs/dbraw/zinc/04/51/19/182045119.db2.gz OWBZMLWNLDDOEK-UHFFFAOYSA-N 1 0 322.235 4.824 40 0 DJABRO COc1cc(C[NH2+]C2CCC(C)CC2)ccc1OC1CCCC1 ZINC000036612296 182827957 /nfs/dbraw/zinc/82/79/57/182827957.db2.gz QRCQNURKNVNFIJ-UHFFFAOYSA-N 1 0 317.473 4.685 40 0 DJABRO C[C@@H]1CCCC[N@@H+]1Cc1c2cccnc2[nH]c1-c1ccc(F)cc1 ZINC000057762037 184051805 /nfs/dbraw/zinc/05/18/05/184051805.db2.gz GUNGJOJOANYFKY-CQSZACIVSA-N 1 0 323.415 4.743 40 0 DJABRO Cc1cc(SCc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223458 257123181 /nfs/dbraw/zinc/12/31/81/257123181.db2.gz JEQWHOJUKMQEPL-HXUWFJFHSA-N 1 0 320.461 4.730 40 0 DJABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1Sc1ccccc1 ZINC000072222154 257123875 /nfs/dbraw/zinc/12/38/75/257123875.db2.gz AUATVBVYXHRNRR-GOSISDBHSA-N 1 0 306.434 4.589 40 0 DJABRO CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213160 257126795 /nfs/dbraw/zinc/12/67/95/257126795.db2.gz PIKDSEKFDGLOJQ-IBGZPJMESA-N 1 0 309.457 4.631 40 0 DJABRO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213374 257127136 /nfs/dbraw/zinc/12/71/36/257127136.db2.gz RKAGPTYFLJXVLF-QFBILLFUSA-N 1 0 309.457 4.629 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212037 257127165 /nfs/dbraw/zinc/12/71/65/257127165.db2.gz NMYJANSPRDCGBI-LJQANCHMSA-N 1 0 310.441 4.598 40 0 DJABRO CCCNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213221 257127196 /nfs/dbraw/zinc/12/71/96/257127196.db2.gz GONIVZZSSPJESB-LJQANCHMSA-N 1 0 309.457 4.631 40 0 DJABRO Clc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000306299521 333009279 /nfs/dbraw/zinc/00/92/79/333009279.db2.gz FPGFROFAJIPMET-UHFFFAOYSA-N 1 0 322.839 4.937 40 0 DJABRO C[NH+](C)CC[C@@H](Oc1cccc2ccccc21)c1cccs1 ZINC000021985981 337106983 /nfs/dbraw/zinc/10/69/83/337106983.db2.gz JFTURWWGPMTABQ-GOSISDBHSA-N 1 0 311.450 4.973 40 0 DJABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168962 560084901 /nfs/dbraw/zinc/08/49/01/560084901.db2.gz NTBHEDGZKUETJY-INIZCTEOSA-N 1 0 308.450 4.594 40 0 biogenic,in-vitro DJABRO C[NH+](C)CCSc1cc(-c2ccccc2)c2ccccc2n1 ZINC000001613046 563287923 /nfs/dbraw/zinc/28/79/23/563287923.db2.gz LAZZHULLLYZHHU-UHFFFAOYSA-N 1 0 308.450 4.556 40 0 DJABRO O=C(CC[NH+]1CC2CCC(CC2)C1)c1cccc2ccccc21 ZINC000001615869 563288134 /nfs/dbraw/zinc/28/81/34/563288134.db2.gz WHYBXFMALGJMNG-UHFFFAOYSA-N 1 0 307.437 4.535 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2ccc(Cl)cc21 ZINC000001729586 563293900 /nfs/dbraw/zinc/29/39/00/563293900.db2.gz SVSUKRWDTXEKHZ-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO C[C@H](C[NH+]1CCCCC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000001754430 563295357 /nfs/dbraw/zinc/29/53/57/563295357.db2.gz GRJHDBSJZUMLJT-QGZVFWFLSA-N 1 0 307.437 4.658 40 0 DJABRO CCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000007261339 563337281 /nfs/dbraw/zinc/33/72/81/563337281.db2.gz PSHIDSXAODIVGJ-UHFFFAOYSA-N 1 0 301.405 4.685 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008326018 563345846 /nfs/dbraw/zinc/34/58/46/563345846.db2.gz OKMLDSCIWIVAKE-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(Cl)cc21 ZINC000008581082 563347662 /nfs/dbraw/zinc/34/76/62/563347662.db2.gz SVSUKRWDTXEKHZ-CQSZACIVSA-N 1 0 319.880 4.811 40 0 DJABRO c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2[NH+]1CCCCC1 ZINC000008628734 563348750 /nfs/dbraw/zinc/34/87/50/563348750.db2.gz LIICALSJYTWEAL-NRFANRHFSA-N 1 0 300.405 4.791 40 0 DJABRO COc1ccc(OC)c(Nc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000000303329 563607640 /nfs/dbraw/zinc/60/76/40/563607640.db2.gz JQWSTJBTMKYCEO-UHFFFAOYSA-N 1 0 308.381 4.612 40 0 DJABRO COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 ZINC000000412100 563608021 /nfs/dbraw/zinc/60/80/21/563608021.db2.gz LXOYHIWGZSTGHR-UHFFFAOYSA-N 1 0 321.424 4.755 40 0 DJABRO Cc1ccc2nc(-c3ccccc3O)c(NC3CCCCC3)n2c1 ZINC000000412101 563608197 /nfs/dbraw/zinc/60/81/97/563608197.db2.gz XHXUSKGTMYPQMC-UHFFFAOYSA-N 1 0 321.424 4.760 40 0 DJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000568243 563631324 /nfs/dbraw/zinc/63/13/24/563631324.db2.gz WXZSRLVLWSWIKU-UHFFFAOYSA-N 1 0 324.468 4.904 40 0 DJABRO CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006882585 563639305 /nfs/dbraw/zinc/63/93/05/563639305.db2.gz PQXQVDURQVOEFU-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000007541189 563640620 /nfs/dbraw/zinc/64/06/20/563640620.db2.gz KPOAHTSJLMCZDW-OAHLLOKOSA-N 1 0 313.441 4.812 40 0 DJABRO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008227228 563641748 /nfs/dbraw/zinc/64/17/48/563641748.db2.gz OUQBBUOQNLIWOI-UHFFFAOYSA-N 1 0 310.224 4.682 40 0 DJABRO CCOc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008324116 563642489 /nfs/dbraw/zinc/64/24/89/563642489.db2.gz IYZDIAUSQHKJMJ-MEOONVRBSA-N 1 0 313.485 4.780 40 0 DJABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841812 563711191 /nfs/dbraw/zinc/71/11/91/563711191.db2.gz VGNBQMXWMPHVHR-AWEZNQCLSA-N 1 0 324.399 4.866 40 0 DJABRO CCCC[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C ZINC000223664072 563735083 /nfs/dbraw/zinc/73/50/83/563735083.db2.gz IFPMAWMRBFBHBV-UHFFFAOYSA-N 1 0 304.865 4.696 40 0 DJABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC ZINC000223770790 563736633 /nfs/dbraw/zinc/73/66/33/563736633.db2.gz MWRYAYCMOJGOPG-CQSZACIVSA-N 1 0 302.462 4.645 40 0 DJABRO Cc1c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc2n1CC(C)C ZINC000223769924 563736638 /nfs/dbraw/zinc/73/66/38/563736638.db2.gz JWKHDGONSDVOHS-UHFFFAOYSA-N 1 0 316.489 4.891 40 0 DJABRO Clc1ccc(Oc2ccccc2OCC[C@H]2CCC[NH2+]2)cc1 ZINC000585265811 563782141 /nfs/dbraw/zinc/78/21/41/563782141.db2.gz QSHRURZZHICHJR-OAHLLOKOSA-N 1 0 317.816 4.653 40 0 DJABRO Fc1ccccc1-c1nc2cc(C[NH+]3CCCCC3)ccc2o1 ZINC000216789983 563851990 /nfs/dbraw/zinc/85/19/90/563851990.db2.gz RTWBTVVZJHNGHT-UHFFFAOYSA-N 1 0 310.372 4.620 40 0 DJABRO CC[N@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000095481285 185373929 /nfs/dbraw/zinc/37/39/29/185373929.db2.gz SFCJAXKHIYXCGG-WOUAJJJCSA-N 1 0 307.437 4.646 40 0 DJABRO C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348563 191127511 /nfs/dbraw/zinc/12/75/11/191127511.db2.gz QMZFULKHSQHCKF-AWEZNQCLSA-N 1 0 320.358 4.577 40 0 DJABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001644096 180883070 /nfs/dbraw/zinc/88/30/70/180883070.db2.gz LNBBLOQMJRYBSZ-INIZCTEOSA-N 1 0 318.288 4.929 40 0 DJABRO CC[NH+](CC)CCOc1ccc(C)cc1[C@H](C)c1ccccc1 ZINC000002042914 180907645 /nfs/dbraw/zinc/90/76/45/180907645.db2.gz ALBUBMYBEPOFBZ-GOSISDBHSA-N 1 0 311.469 4.867 40 0 DJABRO CCC[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000003997920 181060782 /nfs/dbraw/zinc/06/07/82/181060782.db2.gz LNIGRARLURFSQQ-NASSWSRMSA-N 1 0 309.453 4.630 40 0 DJABRO CCC[C@]1(O)C[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992028 181186575 /nfs/dbraw/zinc/18/65/75/181186575.db2.gz WIWFYRAALDRLRH-MQGJPIDWSA-N 1 0 323.480 4.972 40 0 DJABRO CC[NH+](CC)C/C=C\[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000005179619 181213925 /nfs/dbraw/zinc/21/39/25/181213925.db2.gz RGILJHRZERHZFJ-LMVHVUTASA-N 1 0 317.864 4.587 40 0 DJABRO CC(C)C[NH2+]CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000005453991 181245333 /nfs/dbraw/zinc/24/53/33/181245333.db2.gz CBBFLDVNDJJDFT-CQSZACIVSA-N 1 0 319.880 4.714 40 0 DJABRO CCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000005643205 181267132 /nfs/dbraw/zinc/26/71/32/181267132.db2.gz WYTPYNYFQAORGV-JSXRDJHFSA-N 1 0 309.453 4.582 40 0 DJABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000005973444 181302827 /nfs/dbraw/zinc/30/28/27/181302827.db2.gz SNHRXNFXZVBEDV-MRXNPFEDSA-N 1 0 318.288 4.929 40 0 DJABRO CCC[NH+](CCC)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000006380176 181335566 /nfs/dbraw/zinc/33/55/66/181335566.db2.gz KJPCWQGBJPXWSR-GOSISDBHSA-N 1 0 305.849 4.649 40 0 DJABRO C/C=C(/CC[C@H]1[NH2+]CCc2c3ccccc3[nH]c21)[Si](C)(C)C ZINC000195441666 201390333 /nfs/dbraw/zinc/39/03/33/201390333.db2.gz MWWNDHSQBOESHH-PHHWEUELSA-N 1 0 312.533 4.959 40 0 DJABRO CCC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(CC)c1C ZINC000223767581 201656585 /nfs/dbraw/zinc/65/65/85/201656585.db2.gz CAPGHGVLIKWOAO-AWEZNQCLSA-N 1 0 302.462 4.647 40 0 DJABRO Clc1ccc(SCC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000015424185 182001683 /nfs/dbraw/zinc/00/16/83/182001683.db2.gz HZCATORDBWGMIT-UHFFFAOYSA-N 1 0 316.857 4.703 40 0 DJABRO Fc1ccccc1COc1ccccc1C[NH2+]C1CCCCC1 ZINC000016449622 182045224 /nfs/dbraw/zinc/04/52/24/182045224.db2.gz VFERFCYQAIUKIE-UHFFFAOYSA-N 1 0 313.416 4.827 40 0 DJABRO c1csc(C[NH2+]Cc2ccccc2OCc2ccccc2)c1 ZINC000016480797 182046379 /nfs/dbraw/zinc/04/63/79/182046379.db2.gz BJYGQZSQLSAOBS-UHFFFAOYSA-N 1 0 309.434 4.617 40 0 DJABRO Fc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000016480131 182046569 /nfs/dbraw/zinc/04/65/69/182046569.db2.gz BGNQRAQMQKZMES-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO c1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000016479378 182046722 /nfs/dbraw/zinc/04/67/22/182046722.db2.gz VSBLBCZNTMVPKE-UHFFFAOYSA-N 1 0 317.432 4.598 40 0 DJABRO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000016493151 182047717 /nfs/dbraw/zinc/04/77/17/182047717.db2.gz CQVCDIUZRXONJQ-UHFFFAOYSA-N 1 0 305.396 4.825 40 0 DJABRO Cc1ccc(Cl)cc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000020158467 182194165 /nfs/dbraw/zinc/19/41/65/182194165.db2.gz NHSDUKRTMSOJRU-UHFFFAOYSA-N 1 0 312.800 4.593 40 0 DJABRO Brc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000020565206 182233370 /nfs/dbraw/zinc/23/33/70/182233370.db2.gz FXFZAJAWSWSUGX-UHFFFAOYSA-N 1 0 320.274 4.508 40 0 DJABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)cc1 ZINC000007540839 256521491 /nfs/dbraw/zinc/52/14/91/256521491.db2.gz UEPUPVDFVCEWJI-HZPDHXFCSA-N 1 0 321.420 4.851 40 0 DJABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072219303 257124160 /nfs/dbraw/zinc/12/41/60/257124160.db2.gz NUTJHFOKJSZAFK-LJQANCHMSA-N 1 0 315.505 4.563 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cnc3ccccc3c2)cc1 ZINC000072219592 257124302 /nfs/dbraw/zinc/12/43/02/257124302.db2.gz UUFDQBQRTFCNQB-NRFANRHFSA-N 1 0 302.421 4.962 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219185 257124400 /nfs/dbraw/zinc/12/44/00/257124400.db2.gz VZHDDCMISYXPIT-IBGZPJMESA-N 1 0 315.505 4.707 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216664 257125265 /nfs/dbraw/zinc/12/52/65/257125265.db2.gz XOZODFXDCHKHGJ-LJQANCHMSA-N 1 0 315.505 4.645 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212084 257127041 /nfs/dbraw/zinc/12/70/41/257127041.db2.gz HPJUUFNRFNDGMV-LJQANCHMSA-N 1 0 310.441 4.598 40 0 DJABRO CC(C)N(c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1)C(C)C ZINC000072212976 257127193 /nfs/dbraw/zinc/12/71/93/257127193.db2.gz UBVJPDBCBUIOPP-GOSISDBHSA-N 1 0 303.494 4.640 40 0 DJABRO Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1ccccc1Cl ZINC000223664152 563735090 /nfs/dbraw/zinc/73/50/90/563735090.db2.gz VKXDVFJHCQDXHQ-UHFFFAOYSA-N 1 0 304.865 4.552 40 0 DJABRO CC[NH+](CC)CCC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000001649606 563289429 /nfs/dbraw/zinc/28/94/29/563289429.db2.gz DGQPUUJVDLLPGN-UHFFFAOYSA-N 1 0 311.425 4.702 40 0 DJABRO CC(C)C[C@H](C(=O)SC[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000001706429 563292757 /nfs/dbraw/zinc/29/27/57/563292757.db2.gz AGAUFAOPIBCMNO-AEFFLSMTSA-N 1 0 319.514 4.560 40 0 DJABRO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008326691 563345936 /nfs/dbraw/zinc/34/59/36/563345936.db2.gz DDBWFJYFAFRTFJ-ZDUSSCGKSA-N 1 0 321.823 4.946 40 0 DJABRO CC[NH+](CC)CCOc1ccccc1Oc1cccc(Cl)c1 ZINC000585265489 563536964 /nfs/dbraw/zinc/53/69/64/563536964.db2.gz RGAHTSFMFPCYCC-UHFFFAOYSA-N 1 0 319.832 4.853 40 0 DJABRO Cc1ccc(Oc2ccccc2OC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000585266215 563537382 /nfs/dbraw/zinc/53/73/82/563537382.db2.gz OEVWRWVZZXLKCF-QGZVFWFLSA-N 1 0 311.425 4.508 40 0 DJABRO Brc1ccc(C[NH2+]CC2CCCC2)c2ccccc12 ZINC000085395144 563569069 /nfs/dbraw/zinc/56/90/69/563569069.db2.gz DUBCCEQEAMJRCC-UHFFFAOYSA-N 1 0 318.258 4.882 40 0 DJABRO CC(=O)Nc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000000303341 563607505 /nfs/dbraw/zinc/60/75/05/563607505.db2.gz HJMFALOOSVWHCB-UHFFFAOYSA-N 1 0 305.381 4.554 40 0 DJABRO Cc1ccc2nc(-c3ccc(F)cc3)c(NC3CCCC3)n2c1 ZINC000000412110 563608424 /nfs/dbraw/zinc/60/84/24/563608424.db2.gz YDBWFCZQHHDGSO-UHFFFAOYSA-N 1 0 309.388 4.803 40 0 DJABRO CC(C)C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000006883640 563639272 /nfs/dbraw/zinc/63/92/72/563639272.db2.gz YWOWRZZQENHQSJ-UHFFFAOYSA-N 1 0 303.833 4.665 40 0 DJABRO CCCCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007261057 563639938 /nfs/dbraw/zinc/63/99/38/563639938.db2.gz IDVCBCYIKWMZOL-OAHLLOKOSA-N 1 0 301.430 4.670 40 0 DJABRO CC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(C(C)C)c1C ZINC000223764834 563735883 /nfs/dbraw/zinc/73/58/83/563735883.db2.gz LUCGZTCESKNVBT-CQSZACIVSA-N 1 0 302.462 4.817 40 0 DJABRO C/C=C(/CC[C@@H]1[NH2+]CC[C@@H]2c3ccccc3N[C@H]21)[Si](C)(C)C ZINC000254077834 563784913 /nfs/dbraw/zinc/78/49/13/563784913.db2.gz NSHWEQKTJYYKNJ-HTPPWJAJSA-N 1 0 314.549 4.530 40 0 DJABRO Cc1ccc2oc([C@H]3CC[N@H+](CCCc4ccccc4)C3)nc2c1 ZINC000035446488 563867072 /nfs/dbraw/zinc/86/70/72/563867072.db2.gz SCQZPEUHEJUHDQ-SFHVURJKSA-N 1 0 320.436 4.558 40 0 biogenic,in-vitro DJABRO C[NH+](C)C[C@@H]1C[C@H]1C1(C)c2ccccc2Sc2ccccc21 ZINC000001567577 568412297 /nfs/dbraw/zinc/41/22/97/568412297.db2.gz TYOMLDKWRBZLBY-WMLDXEAASA-N 1 0 309.478 4.655 40 0 DJABRO CC(C)c1[nH+]c2ccc(Br)cn2c1NC1CCCC1 ZINC000000904198 180837569 /nfs/dbraw/zinc/83/75/69/180837569.db2.gz GQIQNLWTVWQKBV-UHFFFAOYSA-N 1 0 322.250 4.575 40 0 DJABRO CC[NH+](CC)CCOc1ccc(C)cc1[C@@H](C)c1ccccc1 ZINC000001700058 180888995 /nfs/dbraw/zinc/88/89/95/180888995.db2.gz ALBUBMYBEPOFBZ-SFHVURJKSA-N 1 0 311.469 4.867 40 0 DJABRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000004203942 181084613 /nfs/dbraw/zinc/08/46/13/181084613.db2.gz OAYPLJXZSDIZBJ-UHFFFAOYSA-N 1 0 302.421 4.766 40 0 DJABRO C[n+]1c(/C=C\c2c(O)ccc3ccccc32)ccc2ccccc21 ZINC000004578872 181126952 /nfs/dbraw/zinc/12/69/52/181126952.db2.gz KGUKQQWCNNJTLD-UHFFFAOYSA-O 1 0 312.392 4.694 40 0 DJABRO CCC(CC)CC1(C(=O)OCC[NH+](CC)CC)CCCCC1 ZINC000004896169 181169339 /nfs/dbraw/zinc/16/93/39/181169339.db2.gz VDBXOGGKDXWKAX-UHFFFAOYSA-N 1 0 311.510 4.648 40 0 DJABRO CCC[C@@]1(O)C[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992029 181186434 /nfs/dbraw/zinc/18/64/34/181186434.db2.gz WIWFYRAALDRLRH-AGOPTVSRSA-N 1 0 323.480 4.972 40 0 DJABRO C[NH+](C)CC/C=C1/c2ccccc2C=Nc2ccc(Cl)cc21 ZINC000005573060 181258677 /nfs/dbraw/zinc/25/86/77/181258677.db2.gz KGRYJYZBJQLPFW-IUXPMGMMSA-N 1 0 310.828 4.787 40 0 DJABRO [NH2+]=C1NC(c2ccc(Cl)cc2)=C[C@H](c2ccc(F)cc2)S1 ZINC000005945051 181299468 /nfs/dbraw/zinc/29/94/68/181299468.db2.gz LLDYQVNFVDGWMZ-OAHLLOKOSA-N 1 0 318.804 4.832 40 0 DJABRO CCCCn1c(C)c(C[NH2+]C)c2cc(O[C@H](C)CC)ccc21 ZINC000223760964 201656529 /nfs/dbraw/zinc/65/65/29/201656529.db2.gz PGTQUZOOFVWVEA-CQSZACIVSA-N 1 0 302.462 4.647 40 0 DJABRO CCOc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1OC ZINC000008253379 181539799 /nfs/dbraw/zinc/53/97/99/181539799.db2.gz AWVKORPLUPDPOT-UHFFFAOYSA-N 1 0 311.853 4.560 40 0 DJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000008253411 181539969 /nfs/dbraw/zinc/53/99/69/181539969.db2.gz RMMLHBRDTAJOPS-UHFFFAOYSA-N 1 0 302.245 4.814 40 0 DJABRO Clc1ccc(SCC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000015423509 182001280 /nfs/dbraw/zinc/00/12/80/182001280.db2.gz HWNMPJFYBDDQKE-UHFFFAOYSA-N 1 0 316.857 4.703 40 0 DJABRO O=[N+]1CC[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000017020362 182068247 /nfs/dbraw/zinc/06/82/47/182068247.db2.gz ZLISCQIQDYGRFQ-NRFANRHFSA-N 1 0 313.400 4.699 40 0 DJABRO C[N+]1=C(C=CNc2ccc(Cl)cc2)C(C)(C)c2ccccc21 ZINC000017125103 182076701 /nfs/dbraw/zinc/07/67/01/182076701.db2.gz IZARYHZRPLWLDH-UHFFFAOYSA-O 1 0 311.836 4.972 40 0 DJABRO CC1(C)Cc2c(c3ccccc3n2-c2ccccc2)C(C)(C)[NH2+]1 ZINC000019691070 182136604 /nfs/dbraw/zinc/13/66/04/182136604.db2.gz CEMBAJMBEZYNIE-UHFFFAOYSA-N 1 0 304.437 4.790 40 0 DJABRO CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875913 182251398 /nfs/dbraw/zinc/25/13/98/182251398.db2.gz MPBUQZXFTTWJBR-UHFFFAOYSA-N 1 0 308.219 4.517 40 0 DJABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C(C)=O)cc3)c2c1 ZINC000041127711 183169578 /nfs/dbraw/zinc/16/95/78/183169578.db2.gz MOFRQHVSXMOBCA-UHFFFAOYSA-N 1 0 320.392 4.888 40 0 DJABRO C[C@H]1CCCC[N@@H+]1Cc1c2cccnc2[nH]c1-c1ccc(F)cc1 ZINC000057762039 184051752 /nfs/dbraw/zinc/05/17/52/184051752.db2.gz GUNGJOJOANYFKY-AWEZNQCLSA-N 1 0 323.415 4.743 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc3ncccc3c2)cc1 ZINC000072221814 257124141 /nfs/dbraw/zinc/12/41/41/257124141.db2.gz HZRPFEXDVGSBOX-NRFANRHFSA-N 1 0 302.421 4.962 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219305 257124180 /nfs/dbraw/zinc/12/41/80/257124180.db2.gz NRWDCJDRFTYQBX-IBGZPJMESA-N 1 0 315.505 4.707 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216727 257125149 /nfs/dbraw/zinc/12/51/49/257125149.db2.gz PYSHRBXSHUHSMA-IBGZPJMESA-N 1 0 315.505 4.789 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216666 257125408 /nfs/dbraw/zinc/12/54/08/257125408.db2.gz WRFLYGVXIWRCJD-LJQANCHMSA-N 1 0 315.505 4.789 40 0 DJABRO Cc1cc(Cl)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217867 257125443 /nfs/dbraw/zinc/12/54/43/257125443.db2.gz YCMRDAODIFXEIV-QGZVFWFLSA-N 1 0 300.833 4.771 40 0 DJABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000072217806 257125538 /nfs/dbraw/zinc/12/55/38/257125538.db2.gz KUWDOMMOMFXWNH-KRWDZBQOSA-N 1 0 300.833 4.771 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214218 257125832 /nfs/dbraw/zinc/12/58/32/257125832.db2.gz XOGPZDBOIHZAGC-LJQANCHMSA-N 1 0 309.457 4.785 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214204 257125966 /nfs/dbraw/zinc/12/59/66/257125966.db2.gz SPLFPSQYVNDFNR-IBGZPJMESA-N 1 0 309.457 4.787 40 0 DJABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213948 257126125 /nfs/dbraw/zinc/12/61/25/257126125.db2.gz VNCZLQMHXZBHJV-FQEVSTJZSA-N 1 0 321.468 4.773 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214036 257126151 /nfs/dbraw/zinc/12/61/51/257126151.db2.gz SXXGACPQVOKZAY-GOSISDBHSA-N 1 0 301.478 4.763 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214264 257126388 /nfs/dbraw/zinc/12/63/88/257126388.db2.gz JQRXQJAUCYYRMI-IBGZPJMESA-N 1 0 309.457 4.787 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212974 257126832 /nfs/dbraw/zinc/12/68/32/257126832.db2.gz XGNDEQDBUGGSQS-GOSISDBHSA-N 1 0 303.494 4.642 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212975 257126848 /nfs/dbraw/zinc/12/68/48/257126848.db2.gz XGNDEQDBUGGSQS-SFHVURJKSA-N 1 0 303.494 4.642 40 0 DJABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213373 257126987 /nfs/dbraw/zinc/12/69/87/257126987.db2.gz RKAGPTYFLJXVLF-VQIMIIECSA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)N(c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1)C(C)C ZINC000072212977 257127174 /nfs/dbraw/zinc/12/71/74/257127174.db2.gz UBVJPDBCBUIOPP-SFHVURJKSA-N 1 0 303.494 4.640 40 0 DJABRO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213484 257127247 /nfs/dbraw/zinc/12/72/47/257127247.db2.gz OCNHBINLNOCLPC-LPHOPBHVSA-N 1 0 309.457 4.629 40 0 DJABRO CCCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C(C)C ZINC000223770254 563736682 /nfs/dbraw/zinc/73/66/82/563736682.db2.gz BNZAQHUSAMQSPB-UHFFFAOYSA-N 1 0 302.462 4.817 40 0 DJABRO c1ccc(CCC[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168935 560084919 /nfs/dbraw/zinc/08/49/19/560084919.db2.gz XGSGLBPMRJQEEF-KRWDZBQOSA-N 1 0 322.477 4.718 40 0 biogenic,in-vitro DJABRO Clc1ccc2c(c1)nccc2NCCC[NH2+]C1CCCCC1 ZINC000001596768 563286885 /nfs/dbraw/zinc/28/68/85/563286885.db2.gz BEDDWNMGYOHYNU-UHFFFAOYSA-N 1 0 317.864 4.613 40 0 DJABRO c1ccc(C[C@@H]([NH2+]C2CCCCC2)c2ccc3c(c2)OCO3)cc1 ZINC000001665320 563289804 /nfs/dbraw/zinc/28/98/04/563289804.db2.gz BDLLBNLVVMJMIJ-LJQANCHMSA-N 1 0 323.436 4.621 40 0 DJABRO CCCC[NH+](CCCC)CCCNc1nccc2ccccc21 ZINC000001676312 563290285 /nfs/dbraw/zinc/29/02/85/563290285.db2.gz CFNSXLPOASGUCI-UHFFFAOYSA-N 1 0 313.489 4.939 40 0 DJABRO CCCC[C@@H]([C@@H](O)c1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC000001687276 563291410 /nfs/dbraw/zinc/29/14/10/563291410.db2.gz BEMRDDNCDPEKBZ-OALUTQOASA-N 1 0 305.506 4.918 40 0 DJABRO CC[NH+](CC)CCSC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001712571 563292631 /nfs/dbraw/zinc/29/26/31/563292631.db2.gz ZJAKZUMZIJJRCD-GOSISDBHSA-N 1 0 319.514 4.562 40 0 DJABRO CC(C)C[C@@H](C(=O)SC[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000001706430 563292731 /nfs/dbraw/zinc/29/27/31/563292731.db2.gz AGAUFAOPIBCMNO-SJLPKXTDSA-N 1 0 319.514 4.560 40 0 DJABRO C[N@H+](CCC(=O)c1cccc2ccccc21)Cc1ccccc1 ZINC000001724566 563293963 /nfs/dbraw/zinc/29/39/63/563293963.db2.gz WXQVVIROGYHAPA-UHFFFAOYSA-N 1 0 303.405 4.545 40 0 DJABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(Cl)nc2ccccc21 ZINC000001729584 563293992 /nfs/dbraw/zinc/29/39/92/563293992.db2.gz MEIXOAWAVXWOMS-CQSZACIVSA-N 1 0 319.880 4.811 40 0 DJABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000002042966 563298641 /nfs/dbraw/zinc/29/86/41/563298641.db2.gz LNBBLOQMJRYBSZ-MRXNPFEDSA-N 1 0 318.288 4.929 40 0 DJABRO CCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000007261743 563337290 /nfs/dbraw/zinc/33/72/90/563337290.db2.gz LUGYDEZDBUNCSE-UHFFFAOYSA-N 1 0 303.833 4.809 40 0 DJABRO C[NH+](C)/C=C/C(=S)N1c2ccccc2Sc2ccccc21 ZINC000016163030 563411324 /nfs/dbraw/zinc/41/13/24/563411324.db2.gz SZCNYRYWVNVWJU-VAWYXSNFSA-N 1 0 312.463 4.692 40 0 DJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2ccc(Cl)cc2n1 ZINC000031614212 563440533 /nfs/dbraw/zinc/44/05/33/563440533.db2.gz OSABEOFBNZMBDI-CQSZACIVSA-N 1 0 319.880 4.811 40 0 DJABRO CC[NH+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000055442139 563475354 /nfs/dbraw/zinc/47/53/54/563475354.db2.gz SFCJAXKHIYXCGG-XNFNUYLZSA-N 1 0 307.437 4.646 40 0 DJABRO C[C@H]([NH2+]Cc1cn(C)c2ccccc12)C12CC3CC(CC(C3)C1)C2 ZINC000096510702 563536316 /nfs/dbraw/zinc/53/63/16/563536316.db2.gz WRWSBICNVVXKCM-BZSISCHUSA-N 1 0 322.496 4.873 40 0 DJABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@@H]1CC(C)=C(C)C[C@@H]1C ZINC000001824688 563620922 /nfs/dbraw/zinc/62/09/22/563620922.db2.gz NNRHSNHZPUZQPQ-NQYLQCIDSA-N 1 0 324.468 4.746 40 0 DJABRO CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000006882577 563639245 /nfs/dbraw/zinc/63/92/45/563639245.db2.gz JRFVKWOMFZPTIL-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006882527 563639323 /nfs/dbraw/zinc/63/93/23/563639323.db2.gz IYPAKWPYPOPKBM-UHFFFAOYSA-N 1 0 321.823 4.946 40 0 DJABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccccc1 ZINC000008325985 563642465 /nfs/dbraw/zinc/64/24/65/563642465.db2.gz PSIUKFXVSFQTRL-MRXNPFEDSA-N 1 0 313.441 4.552 40 0 DJABRO CCC[NH2+]Cc1c2cc(OCCC)ccc2n(CC(C)C)c1C ZINC000223767281 563735898 /nfs/dbraw/zinc/73/58/98/563735898.db2.gz JGYZVCJAQPAFPP-UHFFFAOYSA-N 1 0 316.489 4.894 40 0 DJABRO CCn1c(C=CNc2ccccc2)[o+]c2ccc3ccccc3c21 ZINC000102315748 563831950 /nfs/dbraw/zinc/83/19/50/563831950.db2.gz BZPLUWXNYXSIGU-UHFFFAOYSA-O 1 0 315.396 4.976 40 0 DJABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788803 563851820 /nfs/dbraw/zinc/85/18/20/563851820.db2.gz AAABQVYIKJVFDH-HNNXBMFYSA-N 1 0 306.409 4.727 40 0 DJABRO CC1CC[NH+](Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216790421 563852191 /nfs/dbraw/zinc/85/21/91/563852191.db2.gz YOKJDPCDOOYEQF-UHFFFAOYSA-N 1 0 324.399 4.866 40 0 DJABRO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000007537890 568412426 /nfs/dbraw/zinc/41/24/26/568412426.db2.gz CRYDAGSLOTYFCM-UHFFFAOYSA-N 1 0 317.432 4.864 40 0 DJABRO CCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21 ZINC000004932879 181174893 /nfs/dbraw/zinc/17/48/93/181174893.db2.gz GVNCOQGNHMQADJ-UHFFFAOYSA-N 1 0 313.424 4.809 40 0 DJABRO C[n+]1c(/C=C\c2ccc(O)c3ccccc23)ccc2ccccc21 ZINC000005049315 181197075 /nfs/dbraw/zinc/19/70/75/181197075.db2.gz OGLBNDLJXJPJEF-UHFFFAOYSA-O 1 0 312.392 4.694 40 0 DJABRO CCCOc1ccc(Cn2c(CCC)nc3ccccc32)cc1 ZINC000005547652 181255451 /nfs/dbraw/zinc/25/54/51/181255451.db2.gz MWWFKLTVYSWBDQ-UHFFFAOYSA-N 1 0 308.425 4.826 40 0 DJABRO CCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000006311356 181328656 /nfs/dbraw/zinc/32/86/56/181328656.db2.gz WYTPYNYFQAORGV-MXEMCNAFSA-N 1 0 309.453 4.582 40 0 DJABRO CCC[NH2+]Cc1c2cc(OC(C)C)ccc2n(CCC)c1C ZINC000223766629 201656194 /nfs/dbraw/zinc/65/61/94/201656194.db2.gz VBBFWTRBWHOGAT-UHFFFAOYSA-N 1 0 302.462 4.647 40 0 DJABRO CCC[NH2+]Cc1c(C)n(CCC)c2ccc(OCCC)cc21 ZINC000223767102 201656228 /nfs/dbraw/zinc/65/62/28/201656228.db2.gz HCKMWQSGXNUMCR-UHFFFAOYSA-N 1 0 302.462 4.648 40 0 DJABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC(C)C ZINC000223761043 201656704 /nfs/dbraw/zinc/65/67/04/201656704.db2.gz YSRKYHJLPNMINV-CQSZACIVSA-N 1 0 302.462 4.502 40 0 DJABRO FC(F)(F)c1cccc(Cc2ccc([C@H]3CCCC[NH2+]3)cn2)c1 ZINC000257280008 203008851 /nfs/dbraw/zinc/00/88/51/203008851.db2.gz OJBZZEJTYCHPMS-QGZVFWFLSA-N 1 0 320.358 4.506 40 0 DJABRO COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000008469563 181557968 /nfs/dbraw/zinc/55/79/68/181557968.db2.gz KVHADLPOALUSFS-UHFFFAOYSA-N 1 0 302.245 4.814 40 0 DJABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000008474425 181558167 /nfs/dbraw/zinc/55/81/67/181558167.db2.gz DBLBUVWWAPZXQY-UHFFFAOYSA-N 1 0 317.432 4.695 40 0 DJABRO Fc1ccccc1COc1ccccc1C[NH2+]Cc1ccccc1 ZINC000016480164 182046848 /nfs/dbraw/zinc/04/68/48/182046848.db2.gz CKZZUTUHGUWDTH-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO CC[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158613 182194221 /nfs/dbraw/zinc/19/42/21/182194221.db2.gz KSDZPTDKBFUJFI-UHFFFAOYSA-N 1 0 303.711 4.728 40 0 DJABRO CCCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875752 182251284 /nfs/dbraw/zinc/25/12/84/182251284.db2.gz RBNLTLVGKZBHOW-UHFFFAOYSA-N 1 0 322.246 4.907 40 0 DJABRO Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1 ZINC000022076493 182308609 /nfs/dbraw/zinc/30/86/09/182308609.db2.gz VLEOBMAKCMNOCS-UHFFFAOYSA-N 1 0 313.347 4.557 40 0 DJABRO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OC1CCCC1 ZINC000036612702 182828595 /nfs/dbraw/zinc/82/85/95/182828595.db2.gz TZIFNTPOPXPCPG-UHFFFAOYSA-N 1 0 311.853 4.558 40 0 DJABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1SC1CCCCC1 ZINC000072222803 257123095 /nfs/dbraw/zinc/12/30/95/257123095.db2.gz BNVTWKDERILEMB-SFHVURJKSA-N 1 0 312.482 4.863 40 0 DJABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1SCc1ccccc1 ZINC000072222420 257123616 /nfs/dbraw/zinc/12/36/16/257123616.db2.gz KYFYWDNFASPNKE-IBGZPJMESA-N 1 0 320.461 4.730 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213983 257126398 /nfs/dbraw/zinc/12/63/98/257126398.db2.gz KYXGEVGOZYMPOR-SFHVURJKSA-N 1 0 301.478 4.763 40 0 DJABRO CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213587 257126427 /nfs/dbraw/zinc/12/64/27/257126427.db2.gz PGBTZSCIOQQIMK-IBGZPJMESA-N 1 0 309.457 4.631 40 0 DJABRO CC(C)CNc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213280 257126484 /nfs/dbraw/zinc/12/64/84/257126484.db2.gz PFFJHTDXPHGYJD-FQEVSTJZSA-N 1 0 323.484 4.877 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214038 257126649 /nfs/dbraw/zinc/12/66/49/257126649.db2.gz ZFSGQXISUNWJMY-GOSISDBHSA-N 1 0 301.478 4.762 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213038 257127178 /nfs/dbraw/zinc/12/71/78/257127178.db2.gz YPQKJODGFRVRMD-LJQANCHMSA-N 1 0 317.521 4.888 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212042 257127217 /nfs/dbraw/zinc/12/72/17/257127217.db2.gz BDVWXZQRPUYUMR-FQEVSTJZSA-N 1 0 324.468 4.844 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212043 257127279 /nfs/dbraw/zinc/12/72/79/257127279.db2.gz IAIMRUZLPZROGM-HXUWFJFHSA-N 1 0 324.468 4.988 40 0 DJABRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1Cc1ccccc1 ZINC000001586339 563286227 /nfs/dbraw/zinc/28/62/27/563286227.db2.gz DTDSPIAJPFKPGJ-SFHVURJKSA-N 1 0 309.453 4.531 40 0 DJABRO CC[N@@H+]1CCC[C@@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000001673169 563290760 /nfs/dbraw/zinc/29/07/60/563290760.db2.gz IOIRMOPBZLQITN-OAHLLOKOSA-N 1 0 310.466 4.774 40 0 DJABRO c1ccc2c(c1)Sc1ccccc1N2CCC[NH+]1CCCC1 ZINC000001684193 563291191 /nfs/dbraw/zinc/29/11/91/563291191.db2.gz COTYWTPZASXYAL-UHFFFAOYSA-N 1 0 310.466 4.775 40 0 DJABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(F)c2ccccc21 ZINC000001700106 563291930 /nfs/dbraw/zinc/29/19/30/563291930.db2.gz OEYJQIZVCYNDQQ-FQEVSTJZSA-N 1 0 317.448 4.915 40 0 DJABRO CC[NH+](CC)C/C=C/[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001706627 563292680 /nfs/dbraw/zinc/29/26/80/563292680.db2.gz RGILJHRZERHZFJ-PSKZRQQASA-N 1 0 317.864 4.587 40 0 DJABRO COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cl ZINC000008494355 563347066 /nfs/dbraw/zinc/34/70/66/563347066.db2.gz KFKYNOYEMIFSKR-UHFFFAOYSA-N 1 0 311.812 4.792 40 0 DJABRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc2cccc(Cl)c21 ZINC000008581117 563347837 /nfs/dbraw/zinc/34/78/37/563347837.db2.gz CNPYOSIWMDNAMU-CQSZACIVSA-N 1 0 319.880 4.811 40 0 DJABRO Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(NC(C)(C)C)n2c1 ZINC000000412136 563608356 /nfs/dbraw/zinc/60/83/56/563608356.db2.gz ONKXLTFEVOQWKJ-UHFFFAOYSA-N 1 0 322.456 4.586 40 0 DJABRO C[n+]1ccc(/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000005002298 563623638 /nfs/dbraw/zinc/62/36/38/563623638.db2.gz ZAZNMYVWRHLVEM-VOTSOKGWSA-N 1 0 319.409 4.551 40 0 DJABRO CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000006882554 563638992 /nfs/dbraw/zinc/63/89/92/563638992.db2.gz KXAYRLPFWYUBQA-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CCOc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008324118 563642089 /nfs/dbraw/zinc/64/20/89/563642089.db2.gz IYZDIAUSQHKJMJ-OQNUJHGRSA-N 1 0 313.485 4.780 40 0 DJABRO c1csc(COc2ccc(C[NH2+]C3CCCCC3)cc2)c1 ZINC000022073966 563714647 /nfs/dbraw/zinc/71/46/47/563714647.db2.gz CMGKEZPEWXRHNW-UHFFFAOYSA-N 1 0 301.455 4.749 40 0 DJABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(OCC)ccc21 ZINC000223766304 563735941 /nfs/dbraw/zinc/73/59/41/563735941.db2.gz RHVFQZJHFRDITE-UHFFFAOYSA-N 1 0 302.462 4.648 40 0 DJABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(OCC)ccc21 ZINC000223769378 563736008 /nfs/dbraw/zinc/73/60/08/563736008.db2.gz WRQLMHHTJIJHQH-UHFFFAOYSA-N 1 0 302.462 4.647 40 0 DJABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788758 563851895 /nfs/dbraw/zinc/85/18/95/563851895.db2.gz AAABQVYIKJVFDH-OAHLLOKOSA-N 1 0 306.409 4.727 40 0 DJABRO Clc1cccc(-c2nc3cc(C[NH+]4CCCC4)ccc3o2)c1 ZINC000216839171 563856611 /nfs/dbraw/zinc/85/66/11/563856611.db2.gz CRWLADUNLMUHGN-UHFFFAOYSA-N 1 0 312.800 4.744 40 0 DJABRO Cc1ccc(C[N@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000226251173 563913386 /nfs/dbraw/zinc/91/33/86/563913386.db2.gz QGQAPECIDOCHGA-UHFFFAOYSA-N 1 0 320.461 4.894 40 0 DJABRO c1ccc(CCSc2cccc[n+]2CCc2ccccc2)cc1 ZINC000001668066 180885962 /nfs/dbraw/zinc/88/59/62/180885962.db2.gz FEBYVUHCGBPVLO-UHFFFAOYSA-N 1 0 320.481 4.552 40 0 DJABRO CCCCCCC1(C(=O)OCC[NH+](CC)CC)CCCCC1 ZINC000004896005 181169330 /nfs/dbraw/zinc/16/93/30/181169330.db2.gz ZXTKENQHBPGIIC-UHFFFAOYSA-N 1 0 311.510 4.792 40 0 DJABRO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007261659 181450280 /nfs/dbraw/zinc/45/02/80/181450280.db2.gz ZPCAPJGAUOLLLQ-UHFFFAOYSA-N 1 0 321.823 4.948 40 0 DJABRO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000007261698 181450311 /nfs/dbraw/zinc/45/03/11/181450311.db2.gz AQXAZPHGCSKKCT-UHFFFAOYSA-N 1 0 303.833 4.809 40 0 DJABRO c1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016479357 182046354 /nfs/dbraw/zinc/04/63/54/182046354.db2.gz WMFDQTBZMDBZMV-UHFFFAOYSA-N 1 0 317.432 4.598 40 0 DJABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000016525845 182048048 /nfs/dbraw/zinc/04/80/48/182048048.db2.gz QIRZMGFKPYTEBX-UHFFFAOYSA-N 1 0 321.395 4.810 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(F)cc1 ZINC000022074682 182307490 /nfs/dbraw/zinc/30/74/90/182307490.db2.gz JGDAYTNTRLTUFW-UHFFFAOYSA-N 1 0 323.411 4.710 40 0 DJABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1SCc1ccccc1 ZINC000072222419 257123748 /nfs/dbraw/zinc/12/37/48/257123748.db2.gz KYFYWDNFASPNKE-LJQANCHMSA-N 1 0 320.461 4.730 40 0 DJABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1Sc1ccccc1 ZINC000072222155 257124209 /nfs/dbraw/zinc/12/42/09/257124209.db2.gz AUATVBVYXHRNRR-SFHVURJKSA-N 1 0 306.434 4.589 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216667 257125029 /nfs/dbraw/zinc/12/50/29/257125029.db2.gz WRFLYGVXIWRCJD-IBGZPJMESA-N 1 0 315.505 4.789 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213022 257126937 /nfs/dbraw/zinc/12/69/37/257126937.db2.gz AGJAHDZGQXUETK-SFHVURJKSA-N 1 0 303.494 4.642 40 0 DJABRO CCN(CC)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212923 257127009 /nfs/dbraw/zinc/12/70/09/257127009.db2.gz CFJDNAUPRDGPAK-HXUWFJFHSA-N 1 0 323.484 4.655 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212041 257127131 /nfs/dbraw/zinc/12/71/31/257127131.db2.gz BDVWXZQRPUYUMR-HXUWFJFHSA-N 1 0 324.468 4.844 40 0 DJABRO CC(C)N(c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC000072213037 257127199 /nfs/dbraw/zinc/12/71/99/257127199.db2.gz WUSFYAOFSMYEIN-SFHVURJKSA-N 1 0 303.494 4.640 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213034 257127427 /nfs/dbraw/zinc/12/74/27/257127427.db2.gz HPELRZRXBXXSBP-GOSISDBHSA-N 1 0 303.494 4.642 40 0 DJABRO CC(C)Oc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211986 257127630 /nfs/dbraw/zinc/12/76/30/257127630.db2.gz NNQKJCMYHMSVGE-LJQANCHMSA-N 1 0 310.441 4.596 40 0 DJABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000001660069 563289104 /nfs/dbraw/zinc/28/91/04/563289104.db2.gz ITKHXTZLDBGPSP-RTWAWAEBSA-N 1 0 319.448 4.875 40 0 DJABRO C[NH+](C)CC(C)(C)CN1c2ccccc2Sc2ccccc21 ZINC000001678381 563290697 /nfs/dbraw/zinc/29/06/97/563290697.db2.gz KYNBTEGMZBRGSV-UHFFFAOYSA-N 1 0 312.482 4.877 40 0 in-vitro DJABRO CC[NH+](CC)CCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000001700051 563292091 /nfs/dbraw/zinc/29/20/91/563292091.db2.gz RJZWJIWAMCQHQJ-UHFFFAOYSA-N 1 0 317.860 4.651 40 0 DJABRO CCCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007261319 563337396 /nfs/dbraw/zinc/33/73/96/563337396.db2.gz GTFUDVVKROTGQC-UHFFFAOYSA-N 1 0 307.821 4.888 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008326016 563345933 /nfs/dbraw/zinc/34/59/33/563345933.db2.gz ZOWNUSIXRUPFKQ-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008326791 563346180 /nfs/dbraw/zinc/34/61/80/563346180.db2.gz VZUUJJSMKOVPLC-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO Fc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000016399565 563412276 /nfs/dbraw/zinc/41/22/76/563412276.db2.gz PQIWCNMMYNFAET-UHFFFAOYSA-N 1 0 313.416 4.827 40 0 DJABRO Clc1cc(Cl)c(OC[NH2+]C2CCCCC2)c(Cl)c1 ZINC000031637877 563440694 /nfs/dbraw/zinc/44/06/94/563440694.db2.gz SXQDOXWMSOZBEA-UHFFFAOYSA-N 1 0 308.636 4.905 40 0 DJABRO Cc1ccc(Oc2ccccc2OCC[NH+]2CCCCC2)cc1 ZINC000585265204 563537194 /nfs/dbraw/zinc/53/71/94/563537194.db2.gz ISQNMVFUIKHMEL-UHFFFAOYSA-N 1 0 311.425 4.652 40 0 DJABRO COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCC2)cc1 ZINC000000417892 563608892 /nfs/dbraw/zinc/60/88/92/563608892.db2.gz SNBXXGFEBCHFHG-UHFFFAOYSA-N 1 0 321.424 4.673 40 0 DJABRO C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008377312 563642156 /nfs/dbraw/zinc/64/21/56/563642156.db2.gz IRGJEAPFTOFBEG-UHFFFAOYSA-N 1 0 311.812 4.792 40 0 DJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000010338760 563648628 /nfs/dbraw/zinc/64/86/28/563648628.db2.gz AAZIYFAWYZUIGB-UHFFFAOYSA-N 1 0 322.452 4.542 40 0 DJABRO CC1CC[NH+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216841577 563711447 /nfs/dbraw/zinc/71/14/47/563711447.db2.gz XJLXDJMSBSEDCH-UHFFFAOYSA-N 1 0 324.399 4.866 40 0 DJABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841780 563711534 /nfs/dbraw/zinc/71/15/34/563711534.db2.gz VGNBQMXWMPHVHR-CQSZACIVSA-N 1 0 324.399 4.866 40 0 DJABRO c1csc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)c1 ZINC000022073935 563714705 /nfs/dbraw/zinc/71/47/05/563714705.db2.gz FIOWDRGPLMDLBG-UHFFFAOYSA-N 1 0 309.434 4.617 40 0 DJABRO CCC[NH2+][C@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222636900 563726679 /nfs/dbraw/zinc/72/66/79/563726679.db2.gz GJFWFPLBZVIFHT-GOSISDBHSA-N 1 0 313.441 4.725 40 0 DJABRO CC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(C(C)C)c1C ZINC000223764791 563735823 /nfs/dbraw/zinc/73/58/23/563735823.db2.gz LUCGZTCESKNVBT-AWEZNQCLSA-N 1 0 302.462 4.817 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccc(OC)cc1 ZINC000007538554 568412369 /nfs/dbraw/zinc/41/23/69/568412369.db2.gz QHXIWSURAKWJHG-UHFFFAOYSA-N 1 0 321.420 4.537 40 0 DJABRO CC[N@@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000095481286 185373823 /nfs/dbraw/zinc/37/38/23/185373823.db2.gz SFCJAXKHIYXCGG-SMOSDQRPSA-N 1 0 307.437 4.646 40 0 DJABRO C[Si](C)(C)[C@H]1CC[C@H]([Si](C)(C)C)[NH+]1Cc1ccccc1 ZINC000170019366 197764765 /nfs/dbraw/zinc/76/47/65/197764765.db2.gz LNLCADQYZSMFEJ-IRXDYDNUSA-N 1 0 305.614 4.774 40 0 DJABRO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000000514871 180810377 /nfs/dbraw/zinc/81/03/77/180810377.db2.gz VEQFRABAWWZVLE-UHFFFAOYSA-N 1 0 322.452 4.658 40 0 DJABRO CC[NH+](CC)CCOc1ccc(CCCc2ccccc2)cc1 ZINC000001758897 180894682 /nfs/dbraw/zinc/89/46/82/180894682.db2.gz PJMNWLLSNLAFGV-UHFFFAOYSA-N 1 0 311.469 4.583 40 0 DJABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889102 181168905 /nfs/dbraw/zinc/16/89/05/181168905.db2.gz BRKDPSAOJQTDPB-UWHLTILDSA-N 1 0 309.453 4.630 40 0 DJABRO [NH3+]CCCCc1c2ccccc2[nH]c1-c1cnc2ccccc2c1 ZINC000006270008 181324772 /nfs/dbraw/zinc/32/47/72/181324772.db2.gz GSAAMKVWAFHTTF-UHFFFAOYSA-N 1 0 315.420 4.665 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008325938 181548230 /nfs/dbraw/zinc/54/82/30/181548230.db2.gz POPBEZWOBXSIAY-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008326769 181548839 /nfs/dbraw/zinc/54/88/39/181548839.db2.gz OKMLDSCIWIVAKE-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO Clc1ccc(COc2ccc(C[NH2+]C3CC3)cc2)c(Cl)c1 ZINC000016401534 182044206 /nfs/dbraw/zinc/04/42/06/182044206.db2.gz IZTMUJFCPFJZFH-UHFFFAOYSA-N 1 0 322.235 4.824 40 0 DJABRO Fc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000016449617 182044961 /nfs/dbraw/zinc/04/49/61/182044961.db2.gz DGBVVELSIIORKW-UHFFFAOYSA-N 1 0 313.416 4.827 40 0 DJABRO Fc1ccccc1COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000016450041 182045263 /nfs/dbraw/zinc/04/52/63/182045263.db2.gz CXGWVTUEUUGVBJ-UHFFFAOYSA-N 1 0 313.416 4.827 40 0 DJABRO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000022076481 182308164 /nfs/dbraw/zinc/30/81/64/182308164.db2.gz GKWZSSZGPHEQNF-UHFFFAOYSA-N 1 0 313.347 4.557 40 0 DJABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(F)cc3F)c2c1 ZINC000041127716 183169682 /nfs/dbraw/zinc/16/96/82/183169682.db2.gz OJYMMEQCPNIVAR-UHFFFAOYSA-N 1 0 314.335 4.964 40 0 DJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000059312552 184136676 /nfs/dbraw/zinc/13/66/76/184136676.db2.gz YIPZFGFVYOAAQG-UHFFFAOYSA-N 1 0 316.253 4.743 40 0 DJABRO CC(C)Sc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217470 257125054 /nfs/dbraw/zinc/12/50/54/257125054.db2.gz WEAUYCUZRXCSCP-SFHVURJKSA-N 1 0 312.482 4.919 40 0 DJABRO CCSc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217207 257125412 /nfs/dbraw/zinc/12/54/12/257125412.db2.gz VOVABVAOMSFENM-SFHVURJKSA-N 1 0 312.482 4.921 40 0 DJABRO CCSc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217208 257125645 /nfs/dbraw/zinc/12/56/45/257125645.db2.gz VOVABVAOMSFENM-GOSISDBHSA-N 1 0 312.482 4.921 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214022 257125993 /nfs/dbraw/zinc/12/59/93/257125993.db2.gz ZYFMFOKEOBQHKG-SFHVURJKSA-N 1 0 301.478 4.619 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214201 257126088 /nfs/dbraw/zinc/12/60/88/257126088.db2.gz ODCVFFCHZJPZEO-LJQANCHMSA-N 1 0 309.457 4.642 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214216 257126298 /nfs/dbraw/zinc/12/62/98/257126298.db2.gz DDKBPYQOFPMSQN-LJQANCHMSA-N 1 0 309.457 4.787 40 0 DJABRO CC(C)CNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213341 257126554 /nfs/dbraw/zinc/12/65/54/257126554.db2.gz DVJXBBFHWMWTDK-HXUWFJFHSA-N 1 0 323.484 4.877 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214279 257126608 /nfs/dbraw/zinc/12/66/08/257126608.db2.gz OPQVQKCEWMQBBU-IBGZPJMESA-N 1 0 309.457 4.785 40 0 DJABRO CCCNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213220 257126860 /nfs/dbraw/zinc/12/68/60/257126860.db2.gz GONIVZZSSPJESB-IBGZPJMESA-N 1 0 309.457 4.631 40 0 DJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212097 257127251 /nfs/dbraw/zinc/12/72/51/257127251.db2.gz GNOUZDOVYBBOKB-LJQANCHMSA-N 1 0 310.441 4.598 40 0 DJABRO CC(C)Oc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211925 257127367 /nfs/dbraw/zinc/12/73/67/257127367.db2.gz LSVOUMGKWYJREO-IBGZPJMESA-N 1 0 310.441 4.596 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212099 257127560 /nfs/dbraw/zinc/12/75/60/257127560.db2.gz MIXQLRAQWCDJJG-LJQANCHMSA-N 1 0 310.441 4.596 40 0 DJABRO CCCC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000007261693 333003247 /nfs/dbraw/zinc/00/32/47/333003247.db2.gz LQFLMTGCTKLYLK-UHFFFAOYSA-N 1 0 319.470 4.616 40 0 DJABRO c1ccc2c(c1)[nH+]c1c(c2Nc2ccc3c(c2)OCO3)CCCC1 ZINC000000429747 563252845 /nfs/dbraw/zinc/25/28/45/563252845.db2.gz PFMXOOFAOJURIG-UHFFFAOYSA-N 1 0 318.376 4.586 40 0 DJABRO O[C@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001594044 563287013 /nfs/dbraw/zinc/28/70/13/563287013.db2.gz XJMZJRWEOUFEJY-RTBURBONSA-N 1 0 315.844 4.601 40 0 DJABRO Cc1cc(SCc2ccccc2)cc(C)[n+]1Cc1ccccc1 ZINC000001664747 563289938 /nfs/dbraw/zinc/28/99/38/563289938.db2.gz WSDBJHYFPXHQNE-UHFFFAOYSA-N 1 0 320.481 4.932 40 0 DJABRO CC(C)C[C@@H](C(=O)SC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000001706432 563292778 /nfs/dbraw/zinc/29/27/78/563292778.db2.gz AGAUFAOPIBCMNO-FUHWJXTLSA-N 1 0 319.514 4.560 40 0 DJABRO C[NH+](C)[C@H]1c2cc3ccccc3nc2-c2ccccc2C1(C)C ZINC000001843025 563296656 /nfs/dbraw/zinc/29/66/56/563296656.db2.gz XMYVYLRYYHOQKI-FQEVSTJZSA-N 1 0 302.421 4.796 40 0 DJABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCC ZINC000008253872 563345475 /nfs/dbraw/zinc/34/54/75/563345475.db2.gz PSSKCCPMIJPKSW-UHFFFAOYSA-N 1 0 311.853 4.560 40 0 DJABRO CCOc1cccc(C[NH2+][C@H](C)CC)c1OCc1ccccc1 ZINC000008326031 563345815 /nfs/dbraw/zinc/34/58/15/563345815.db2.gz QAXQJYJQEFHHPL-MRXNPFEDSA-N 1 0 313.441 4.552 40 0 DJABRO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008326766 563345884 /nfs/dbraw/zinc/34/58/84/563345884.db2.gz ZOWNUSIXRUPFKQ-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO c1ccc(CC2CC[NH+](C3=Cc4ccccc4CC3)CC2)cc1 ZINC000055145715 563472030 /nfs/dbraw/zinc/47/20/30/563472030.db2.gz PWUAEEZOOSJBOR-UHFFFAOYSA-N 1 0 303.449 4.928 40 0 DJABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096079387 563533589 /nfs/dbraw/zinc/53/35/89/563533589.db2.gz YFRWMVDIALVNIR-UHFFFAOYSA-N 1 0 309.428 4.614 40 0 DJABRO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000000411650 563608143 /nfs/dbraw/zinc/60/81/43/563608143.db2.gz LIGHURGZJNKAMV-UHFFFAOYSA-N 1 0 322.452 4.557 40 0 DJABRO CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn21 ZINC000000416287 563608868 /nfs/dbraw/zinc/60/88/68/563608868.db2.gz WIHOVZUPQKTPJM-UHFFFAOYSA-N 1 0 315.804 4.571 40 0 DJABRO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006882597 563639061 /nfs/dbraw/zinc/63/90/61/563639061.db2.gz IHFBNQWPBFMCDO-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006882604 563639076 /nfs/dbraw/zinc/63/90/76/563639076.db2.gz WZSQPYYQAPKQKN-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CCOc1ccccc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008325608 563642485 /nfs/dbraw/zinc/64/24/85/563642485.db2.gz IEFSFPRMEMVZIL-SIHNGCNOSA-N 1 0 313.485 4.780 40 0 DJABRO c1cnc2c(c1)cccc2SC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000014983439 563667375 /nfs/dbraw/zinc/66/73/75/563667375.db2.gz AGHBXQNGLDCAHT-SJORKVTESA-N 1 0 312.482 4.591 40 0 DJABRO CCC[NH2+]Cc1c2cc(OCC)ccc2n(CC(C)C)c1C ZINC000223766366 563735876 /nfs/dbraw/zinc/73/58/76/563735876.db2.gz JWTWPXKOJHLWCD-UHFFFAOYSA-N 1 0 302.462 4.504 40 0 DJABRO CCN(CC)C(=[NH2+])Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000059497626 563771448 /nfs/dbraw/zinc/77/14/48/563771448.db2.gz RIRIJCSOCBPCNN-UHFFFAOYSA-N 1 0 317.820 4.821 40 0 DJABRO COc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000008494314 563835053 /nfs/dbraw/zinc/83/50/53/563835053.db2.gz AECUNDSTFZKALD-UHFFFAOYSA-N 1 0 321.464 4.907 40 0 DJABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788873 563852289 /nfs/dbraw/zinc/85/22/89/563852289.db2.gz ZBBVFTHQSSVTLD-HZPDHXFCSA-N 1 0 320.436 4.973 40 0 DJABRO c1ccc(-c2cc(CCC3CC[NH2+]CC3)c3ccccc3n2)cc1 ZINC000001482144 563883837 /nfs/dbraw/zinc/88/38/37/563883837.db2.gz AMEWZCMTSIONOX-UHFFFAOYSA-N 1 0 316.448 4.834 40 0 in-man DJABRO CCC[N@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250006 563913345 /nfs/dbraw/zinc/91/33/45/563913345.db2.gz IGMDDRFURYXLBO-UHFFFAOYSA-N 1 0 311.212 4.634 40 0 DJABRO Cc1cc2nc(C3=CC[N@H+](Cc4ccccc4)CC3)oc2cc1C ZINC000226250415 563913356 /nfs/dbraw/zinc/91/33/56/563913356.db2.gz OQTYAEGKMGYAJI-UHFFFAOYSA-N 1 0 318.420 4.734 40 0 DJABRO C[C@]12CC[C@]3(C)c4ccc(O)cc4CC[C@@]3(C)[C@]1(C)CC[C@@H]2[NH3+] ZINC000242547636 563946007 /nfs/dbraw/zinc/94/60/07/563946007.db2.gz KOMDGAHWSJHKSD-SRHPJPHMSA-N 1 0 313.485 4.530 40 0 DJABRO C[Si](C)(C)[C@@H]1CC[C@@H]([Si](C)(C)C)[NH+]1Cc1ccccc1 ZINC000170019369 197764208 /nfs/dbraw/zinc/76/42/08/197764208.db2.gz LNLCADQYZSMFEJ-IAGOWNOFSA-N 1 0 305.614 4.774 40 0 DJABRO CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccccc1 ZINC000002567080 180935721 /nfs/dbraw/zinc/93/57/21/180935721.db2.gz NGIOFTXCANOGKV-UHFFFAOYSA-N 1 0 302.441 4.814 40 0 DJABRO C[C@@H](COc1cccc2ccccc21)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004837604 181160221 /nfs/dbraw/zinc/16/02/21/181160221.db2.gz CNIUMNFDNVKUAK-KZNAEPCWSA-N 1 0 311.469 4.833 40 0 DJABRO c1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966352 181180418 /nfs/dbraw/zinc/18/04/18/181180418.db2.gz ILAYYFBNFHRUEW-UHFFFAOYSA-N 1 0 308.450 4.676 40 0 DJABRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000006882566 181401321 /nfs/dbraw/zinc/40/13/21/181401321.db2.gz PEVLKDQCEIAHJC-UHFFFAOYSA-N 1 0 308.219 4.597 40 0 DJABRO Cc1ccc(Oc2c(F)cccc2OC[C@@H]([NH3+])CC(C)C)cc1 ZINC000257301408 203025434 /nfs/dbraw/zinc/02/54/34/203025434.db2.gz RYILIJBAGZXZHK-HNNXBMFYSA-N 1 0 317.404 4.679 40 0 DJABRO CCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000007261735 181450198 /nfs/dbraw/zinc/45/01/98/181450198.db2.gz OUKOFDMEXWJTPP-UHFFFAOYSA-N 1 0 313.441 4.554 40 0 DJABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OC ZINC000008253652 181540679 /nfs/dbraw/zinc/54/06/79/181540679.db2.gz NXRUEBWNPDXCJG-UHFFFAOYSA-N 1 0 311.853 4.560 40 0 DJABRO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@@]23OCC[N@H+]13 ZINC000013511884 181857566 /nfs/dbraw/zinc/85/75/66/181857566.db2.gz PKMKJGOXZVPWQD-WAOWUJCRSA-N 1 0 311.469 4.933 40 0 DJABRO Clc1ccc(COc2ccccc2C[NH2+]C2CC2)c(Cl)c1 ZINC000016449609 182045101 /nfs/dbraw/zinc/04/51/01/182045101.db2.gz KXDVLAAIVDDMAV-UHFFFAOYSA-N 1 0 322.235 4.824 40 0 DJABRO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000016480143 182046348 /nfs/dbraw/zinc/04/63/48/182046348.db2.gz OEDITGPJDVSBHG-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)cc1 ZINC000016525839 182048314 /nfs/dbraw/zinc/04/83/14/182048314.db2.gz ICZUXNBWRWISHN-UHFFFAOYSA-N 1 0 321.395 4.810 40 0 DJABRO C[C@H](Cc1ccccc1)n1c(-c2ccccc2)c[n+]2ccccc12 ZINC000016931287 182065009 /nfs/dbraw/zinc/06/50/09/182065009.db2.gz IKZIMEMGUGPDCU-GOSISDBHSA-N 1 0 313.424 4.698 40 0 DJABRO CCCOC(=O)c1cccc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000041127790 183169654 /nfs/dbraw/zinc/16/96/54/183169654.db2.gz FPMRFIPGLGZKHW-UHFFFAOYSA-N 1 0 320.392 4.854 40 0 DJABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000007541185 256521367 /nfs/dbraw/zinc/52/13/67/256521367.db2.gz KPOAHTSJLMCZDW-HNNXBMFYSA-N 1 0 313.441 4.812 40 0 DJABRO Cc1nc(Sc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224234 257123063 /nfs/dbraw/zinc/12/30/63/257123063.db2.gz MXGXWWDPRICGFE-IBGZPJMESA-N 1 0 306.434 4.589 40 0 DJABRO Cc1nc(SC2CCCCC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224888 257123628 /nfs/dbraw/zinc/12/36/28/257123628.db2.gz UQXGYGUKTJVING-LJQANCHMSA-N 1 0 312.482 4.863 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216665 257125319 /nfs/dbraw/zinc/12/53/19/257125319.db2.gz XOZODFXDCHKHGJ-IBGZPJMESA-N 1 0 315.505 4.645 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214037 257125843 /nfs/dbraw/zinc/12/58/43/257125843.db2.gz SXXGACPQVOKZAY-SFHVURJKSA-N 1 0 301.478 4.763 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214263 257126262 /nfs/dbraw/zinc/12/62/62/257126262.db2.gz JQRXQJAUCYYRMI-LJQANCHMSA-N 1 0 309.457 4.787 40 0 DJABRO CCCCNc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213588 257126459 /nfs/dbraw/zinc/12/64/59/257126459.db2.gz PGBTZSCIOQQIMK-LJQANCHMSA-N 1 0 309.457 4.631 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213925 257126508 /nfs/dbraw/zinc/12/65/08/257126508.db2.gz GBMXVOBFANBLLC-FQEVSTJZSA-N 1 0 321.468 4.773 40 0 DJABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213372 257126922 /nfs/dbraw/zinc/12/69/22/257126922.db2.gz RKAGPTYFLJXVLF-LPHOPBHVSA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212102 257127343 /nfs/dbraw/zinc/12/73/43/257127343.db2.gz NYMAHSQWOAFYPD-FQEVSTJZSA-N 1 0 324.468 4.844 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212038 257127532 /nfs/dbraw/zinc/12/75/32/257127532.db2.gz NMYJANSPRDCGBI-IBGZPJMESA-N 1 0 310.441 4.598 40 0 DJABRO CCN(CC)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212862 257127537 /nfs/dbraw/zinc/12/75/37/257127537.db2.gz IZXIHGLBKWNPSF-FQEVSTJZSA-N 1 0 323.484 4.655 40 0 DJABRO O=C(OCC[NH+]1CCCCC1)C1(C2CCCCC2)CCCCC1 ZINC000000001297 563211132 /nfs/dbraw/zinc/21/11/32/563211132.db2.gz MNSQDVCVWNXBFQ-UHFFFAOYSA-N 1 0 321.505 4.546 40 0 in-man DJABRO Cc1cc(C)c2nc(Cl)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000000410857 563252121 /nfs/dbraw/zinc/25/21/21/563252121.db2.gz NWNVFUBTALNVTF-UHFFFAOYSA-N 1 0 310.828 4.795 40 0 DJABRO C[NH+](C)CCOc1ccccc1Cc1ccc(Cl)cc1Cl ZINC000001586338 563286138 /nfs/dbraw/zinc/28/61/38/563286138.db2.gz BGGVNTDQDVWNFP-UHFFFAOYSA-N 1 0 324.251 4.525 40 0 DJABRO O=C(C[C@H]([NH2+]Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000001664746 563290067 /nfs/dbraw/zinc/29/00/67/563290067.db2.gz CMEWSOAICFSPKX-NRFANRHFSA-N 1 0 315.416 4.791 40 0 DJABRO CCCC[C@@H]([C@H](O)c1ccc(C(C)(C)C)cc1)[NH+](CC)CC ZINC000001687274 563291468 /nfs/dbraw/zinc/29/14/68/563291468.db2.gz BEMRDDNCDPEKBZ-RBUKOAKNSA-N 1 0 305.506 4.918 40 0 DJABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008326746 563346077 /nfs/dbraw/zinc/34/60/77/563346077.db2.gz FYENNIPVOMHVOF-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO [NH2+]=C(OC1CCCCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016989771 563412682 /nfs/dbraw/zinc/41/26/82/563412682.db2.gz IVNDNOZGWCMENX-UHFFFAOYSA-N 1 0 322.452 4.973 40 0 DJABRO Fc1cccc(-c2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000036752071 563457436 /nfs/dbraw/zinc/45/74/36/563457436.db2.gz FXGCKUZGLGWNMG-UHFFFAOYSA-N 1 0 324.424 4.508 40 0 DJABRO Cc1ccc(-c2nc3cc(C)ccn3c2NC2CCCC2)cc1 ZINC000000412114 563608272 /nfs/dbraw/zinc/60/82/72/563608272.db2.gz LFUWQHOSVGSGGY-UHFFFAOYSA-N 1 0 305.425 4.973 40 0 DJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000568238 563631197 /nfs/dbraw/zinc/63/11/97/563631197.db2.gz XDYBLPKBXVLSGW-UHFFFAOYSA-N 1 0 322.408 4.527 40 0 DJABRO Cc1c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc2n1C(C)C ZINC000223769777 563736598 /nfs/dbraw/zinc/73/65/98/563736598.db2.gz SDKBLIHNYHQUBS-UHFFFAOYSA-N 1 0 302.462 4.816 40 0 DJABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788915 563852057 /nfs/dbraw/zinc/85/20/57/563852057.db2.gz ZBBVFTHQSSVTLD-IYBDPMFKSA-N 1 0 320.436 4.973 40 0 DJABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789063 563852151 /nfs/dbraw/zinc/85/21/51/563852151.db2.gz GCSSQWKQHGWEIV-HNNXBMFYSA-N 1 0 306.409 4.869 40 0 DJABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790157 563852236 /nfs/dbraw/zinc/85/22/36/563852236.db2.gz VNVVVTYUGHFWDF-CQSZACIVSA-N 1 0 324.399 4.866 40 0 DJABRO CCc1ccc2oc(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250397 563913340 /nfs/dbraw/zinc/91/33/40/563913340.db2.gz XLSJNOGUZXDTDA-UHFFFAOYSA-N 1 0 318.420 4.680 40 0 DJABRO CCCCCCOC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569384 180873986 /nfs/dbraw/zinc/87/39/86/180873986.db2.gz WTQQCGXMPQXPMY-LJQANCHMSA-N 1 0 317.473 4.727 40 0 DJABRO C[C@@H](Cc1ccccc1)n1c(-c2ccccc2)c[n+]2ccccc12 ZINC000001870615 180900076 /nfs/dbraw/zinc/90/00/76/180900076.db2.gz IKZIMEMGUGPDCU-SFHVURJKSA-N 1 0 313.424 4.698 40 0 DJABRO Cc1ccccc1[C@@H]1N[C@@H](c2ccccc2C)[C@H](C)C(=O)[C@@H]1C ZINC000004289843 181093116 /nfs/dbraw/zinc/09/31/16/181093116.db2.gz GZFSBHPTKSDFKX-WOUAJJJCSA-N 1 0 307.437 4.530 40 0 DJABRO CCCCc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004958180 181179536 /nfs/dbraw/zinc/17/95/36/181179536.db2.gz SNFKPHYOEJSMPB-OALUTQOASA-N 1 0 313.485 4.724 40 0 DJABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005045921 181196247 /nfs/dbraw/zinc/19/62/47/181196247.db2.gz ITKHXTZLDBGPSP-NHCUHLMSSA-N 1 0 319.448 4.875 40 0 DJABRO CC(C)[C@@H](C(=O)CC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000005963259 181301606 /nfs/dbraw/zinc/30/16/06/181301606.db2.gz CZUZKESIAYBZFZ-GOSISDBHSA-N 1 0 307.865 4.525 40 0 DJABRO CCC[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000006311374 181328382 /nfs/dbraw/zinc/32/83/82/181328382.db2.gz WYTPYNYFQAORGV-DOIPELPJSA-N 1 0 309.453 4.582 40 0 DJABRO O=C(C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000006580075 181355989 /nfs/dbraw/zinc/35/59/89/181355989.db2.gz CMEWSOAICFSPKX-OAQYLSRUSA-N 1 0 315.416 4.791 40 0 DJABRO CCC[NH2+]Cc1c2cc(OC(C)C)ccc2n(C(C)C)c1C ZINC000223766724 201656049 /nfs/dbraw/zinc/65/60/49/201656049.db2.gz VLPAWLVPRSCQDV-UHFFFAOYSA-N 1 0 302.462 4.817 40 0 DJABRO CCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261320 181449735 /nfs/dbraw/zinc/44/97/35/181449735.db2.gz HIWPNZBRJYEOQG-UHFFFAOYSA-N 1 0 322.246 4.989 40 0 DJABRO CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OCC ZINC000007521212 181471555 /nfs/dbraw/zinc/47/15/55/181471555.db2.gz IFZLKWYUQWUBKF-UHFFFAOYSA-N 1 0 307.478 4.788 40 0 DJABRO CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000008324060 181548340 /nfs/dbraw/zinc/54/83/40/181548340.db2.gz ACQGYAJNIMTXRC-DLIHROTGSA-N 1 0 313.485 4.924 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccc(F)cc1 ZINC000008325138 181548440 /nfs/dbraw/zinc/54/84/40/181548440.db2.gz LCRACKMGRGTYMV-UHFFFAOYSA-N 1 0 309.384 4.667 40 0 DJABRO CC[NH+](CC)CCCNc1nc(-c2ccc(Cl)cc2)cs1 ZINC000013483379 181854825 /nfs/dbraw/zinc/85/48/25/181854825.db2.gz LPRXYVKRHWWCFB-UHFFFAOYSA-N 1 0 323.893 4.607 40 0 DJABRO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)cc1 ZINC000016480152 182046859 /nfs/dbraw/zinc/04/68/59/182046859.db2.gz VDMVNFAIEVXICA-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016480430 182046909 /nfs/dbraw/zinc/04/69/09/182046909.db2.gz GQSSEBHBVZCKCW-UHFFFAOYSA-N 1 0 321.395 4.695 40 0 DJABRO CCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875782 182251273 /nfs/dbraw/zinc/25/12/73/182251273.db2.gz MFSYVMQJSNDYNT-UHFFFAOYSA-N 1 0 308.219 4.517 40 0 DJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000022074365 182307456 /nfs/dbraw/zinc/30/74/56/182307456.db2.gz NIPDQCICPAWVKB-UHFFFAOYSA-N 1 0 324.251 4.724 40 0 DJABRO Clc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 ZINC000022074245 182307654 /nfs/dbraw/zinc/30/76/54/182307654.db2.gz DECLIXNWGNTBSL-UHFFFAOYSA-N 1 0 315.844 4.951 40 0 DJABRO COc1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1S2 ZINC000031937747 182629571 /nfs/dbraw/zinc/62/95/71/182629571.db2.gz ISHNPOMLQRKDEC-NVNXTCNLSA-N 1 0 311.450 4.543 40 0 DJABRO CCC(C)(C)c1ccc(C[C@H](C)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043573952 183372470 /nfs/dbraw/zinc/37/24/70/183372470.db2.gz MQHLMHIZUIDKOO-RCCFBDPRSA-N 1 0 317.517 4.662 40 0 DJABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1cccs1 ZINC000008326738 256523532 /nfs/dbraw/zinc/52/35/32/256523532.db2.gz HBDCGOPIDKUHNQ-AWEZNQCLSA-N 1 0 319.470 4.614 40 0 DJABRO Cc1nc(SCc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224501 257123449 /nfs/dbraw/zinc/12/34/49/257123449.db2.gz JBUCYSDXLKHEQX-FQEVSTJZSA-N 1 0 320.461 4.730 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214039 257126366 /nfs/dbraw/zinc/12/63/66/257126366.db2.gz ZFSGQXISUNWJMY-SFHVURJKSA-N 1 0 301.478 4.762 40 0 DJABRO CC(C)CNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213340 257126598 /nfs/dbraw/zinc/12/65/98/257126598.db2.gz DVJXBBFHWMWTDK-FQEVSTJZSA-N 1 0 323.484 4.877 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212098 257126814 /nfs/dbraw/zinc/12/68/14/257126814.db2.gz GNOUZDOVYBBOKB-IBGZPJMESA-N 1 0 310.441 4.598 40 0 DJABRO CC(C)N(c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC000072213036 257127122 /nfs/dbraw/zinc/12/71/22/257127122.db2.gz WUSFYAOFSMYEIN-GOSISDBHSA-N 1 0 303.494 4.640 40 0 DJABRO CCN(CC)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212922 257127254 /nfs/dbraw/zinc/12/72/54/257127254.db2.gz CFJDNAUPRDGPAK-FQEVSTJZSA-N 1 0 323.484 4.655 40 0 DJABRO c1csc(COc2ccccc2C[NH2+]C2CCCCC2)c1 ZINC000000211330 563231039 /nfs/dbraw/zinc/23/10/39/563231039.db2.gz JQPRWNFWMSGCNX-UHFFFAOYSA-N 1 0 301.455 4.749 40 0 DJABRO CC[NH+](CC)CCCCCCNc1cc(C)cc2cccnc21 ZINC000001698333 563292113 /nfs/dbraw/zinc/29/21/13/563292113.db2.gz LJVOOWOFPZQKRW-UHFFFAOYSA-N 1 0 313.489 4.857 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(Cl)nc2ccccc21 ZINC000001729585 563293986 /nfs/dbraw/zinc/29/39/86/563293986.db2.gz MEIXOAWAVXWOMS-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261710 563337408 /nfs/dbraw/zinc/33/74/08/563337408.db2.gz KZGHPYSTVVZNEM-UHFFFAOYSA-N 1 0 308.219 4.599 40 0 DJABRO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1 ZINC000008254603 563345405 /nfs/dbraw/zinc/34/54/05/563345405.db2.gz PPZIRABHGBMOMK-UHFFFAOYSA-N 1 0 313.441 4.552 40 0 DJABRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008534236 563347450 /nfs/dbraw/zinc/34/74/50/563347450.db2.gz ZJWRMQHITANSTQ-NSHDSACASA-N 1 0 310.224 4.853 40 0 DJABRO Cc1cc2cc(C[NH2+]Cc3cccs3)c(Cl)nc2cc1C ZINC000013534785 563465031 /nfs/dbraw/zinc/46/50/31/563465031.db2.gz FEKACRRTAURXTB-UHFFFAOYSA-N 1 0 316.857 4.856 40 0 DJABRO C[C@@H]([NH2+]Cc1cn(C)c2ccccc12)C12CC3CC(CC(C3)C1)C2 ZINC000096510703 563536555 /nfs/dbraw/zinc/53/65/55/563536555.db2.gz WRWSBICNVVXKCM-NOCBQHASSA-N 1 0 322.496 4.873 40 0 DJABRO C[NH2+]CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001849666 563605353 /nfs/dbraw/zinc/60/53/53/563605353.db2.gz YHFXGBOUSIKGMZ-UHFFFAOYSA-N 1 0 304.846 4.552 40 0 world DJABRO Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2NC1CCCCC1 ZINC000000412103 563608400 /nfs/dbraw/zinc/60/84/00/563608400.db2.gz RZJIDAWJKZOACP-UHFFFAOYSA-N 1 0 321.424 4.760 40 0 DJABRO COc1ccc(-c2nc3cc(C)ccn3c2NC2CCCC2)cc1 ZINC000000417897 563608906 /nfs/dbraw/zinc/60/89/06/563608906.db2.gz NIASPXIUJXDLBO-UHFFFAOYSA-N 1 0 321.424 4.673 40 0 DJABRO CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008227316 563641652 /nfs/dbraw/zinc/64/16/52/563641652.db2.gz ZYHLRBREYNJYID-UHFFFAOYSA-N 1 0 310.224 4.682 40 0 DJABRO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@@]23OCC[N@H+]13 ZINC000013511880 563659850 /nfs/dbraw/zinc/65/98/50/563659850.db2.gz PKMKJGOXZVPWQD-BBTUJRGHSA-N 1 0 311.469 4.933 40 0 DJABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC ZINC000223770835 563736563 /nfs/dbraw/zinc/73/65/63/563736563.db2.gz MWRYAYCMOJGOPG-AWEZNQCLSA-N 1 0 302.462 4.645 40 0 DJABRO c1ccc(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000031924074 563769121 /nfs/dbraw/zinc/76/91/21/563769121.db2.gz KUMFECJUUBSOPA-QFIPXVFZSA-N 1 0 301.433 4.803 40 0 DJABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788953 563852234 /nfs/dbraw/zinc/85/22/34/563852234.db2.gz ZBBVFTHQSSVTLD-HOTGVXAUSA-N 1 0 320.436 4.973 40 0 DJABRO C[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccccc1 ZINC000072393370 191149324 /nfs/dbraw/zinc/14/93/24/191149324.db2.gz VDFCBXOEQCTDMI-UHFFFAOYSA-N 1 0 319.452 4.853 40 0 DJABRO C[NH+](C)C[C@H]1C[C@@H]1C1(C)c2ccccc2Sc2ccccc21 ZINC000001567578 180873928 /nfs/dbraw/zinc/87/39/28/180873928.db2.gz TYOMLDKWRBZLBY-PBHICJAKSA-N 1 0 309.478 4.655 40 0 DJABRO Cc1ccc([C@@H](OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000004429665 181108825 /nfs/dbraw/zinc/10/88/25/181108825.db2.gz UHZGETFOMOYETC-PJEZACDQSA-N 1 0 321.464 4.726 40 0 DJABRO O=[N+]1CC[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000004990858 181185817 /nfs/dbraw/zinc/18/58/17/181185817.db2.gz ZLISCQIQDYGRFQ-OAQYLSRUSA-N 1 0 313.400 4.699 40 0 DJABRO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005045922 181195990 /nfs/dbraw/zinc/19/59/90/181195990.db2.gz ITKHXTZLDBGPSP-LEWJYISDSA-N 1 0 319.448 4.875 40 0 DJABRO CC[NH+](CC)CCSC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000006382331 181335538 /nfs/dbraw/zinc/33/55/38/181335538.db2.gz ZJAKZUMZIJJRCD-SFHVURJKSA-N 1 0 319.514 4.562 40 0 DJABRO CCOc1ccc2ccccc2c1[C@@H](Cc1ccccc1)[NH2+]C ZINC000006411351 181339333 /nfs/dbraw/zinc/33/93/33/181339333.db2.gz YNKZJINAPSLABO-LJQANCHMSA-N 1 0 305.421 4.742 40 0 DJABRO CCCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC(C)C ZINC000223770409 201656203 /nfs/dbraw/zinc/65/62/03/201656203.db2.gz NKZZVKFISIXFTD-UHFFFAOYSA-N 1 0 316.489 4.893 40 0 DJABRO CCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000007262295 181449929 /nfs/dbraw/zinc/44/99/29/181449929.db2.gz MIXBMCPKUHCSPC-UHFFFAOYSA-N 1 0 305.421 4.918 40 0 DJABRO CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000007261691 181450242 /nfs/dbraw/zinc/45/02/42/181450242.db2.gz ITSFEAYXMXIGIJ-UHFFFAOYSA-N 1 0 313.441 4.554 40 0 DJABRO Clc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000016449723 182045047 /nfs/dbraw/zinc/04/50/47/182045047.db2.gz QIBXASNLRIRQBD-UHFFFAOYSA-N 1 0 300.616 4.937 40 0 DJABRO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000016493144 182047482 /nfs/dbraw/zinc/04/74/82/182047482.db2.gz VQXWEQXZGVZPRF-UHFFFAOYSA-N 1 0 305.396 4.825 40 0 DJABRO c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000016480137 182046565 /nfs/dbraw/zinc/04/65/65/182046565.db2.gz PITGQRKFJHYWAE-UHFFFAOYSA-N 1 0 303.405 4.555 40 0 DJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(C(C)C)cc2)on1 ZINC000019120558 182105269 /nfs/dbraw/zinc/10/52/69/182105269.db2.gz TZAACQLCUXXDBY-AZUAARDMSA-N 1 0 312.457 4.607 40 0 DJABRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccnc3ccccc23)on1 ZINC000019120332 182105293 /nfs/dbraw/zinc/10/52/93/182105293.db2.gz PAIQRBOMDQRQJE-IBGZPJMESA-N 1 0 321.424 4.649 40 0 DJABRO CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875891 182251611 /nfs/dbraw/zinc/25/16/11/182251611.db2.gz YQACAPYGXLXDLP-UHFFFAOYSA-N 1 0 322.246 4.907 40 0 DJABRO Clc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCC2)c1 ZINC000022074269 182307647 /nfs/dbraw/zinc/30/76/47/182307647.db2.gz PZEWIZWMWVKJDB-UHFFFAOYSA-N 1 0 315.844 4.951 40 0 DJABRO Clc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)cc1 ZINC000022074225 182307951 /nfs/dbraw/zinc/30/79/51/182307951.db2.gz IDHAJENUXJASQF-UHFFFAOYSA-N 1 0 315.844 4.951 40 0 DJABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)C1 ZINC000057762043 184051617 /nfs/dbraw/zinc/05/16/17/184051617.db2.gz FQSIKOKBKCRFEU-CQSZACIVSA-N 1 0 323.415 4.601 40 0 DJABRO C[C@]12CC[C@]3(C)c4ccc(O)cc4CC[C@@]3(C)[C@]1(C)CC[C@H]2[NH3+] ZINC000242547635 257120297 /nfs/dbraw/zinc/12/02/97/257120297.db2.gz KOMDGAHWSJHKSD-PFAUGDHASA-N 1 0 313.485 4.530 40 0 DJABRO Cc1cc(Sc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223190 257123142 /nfs/dbraw/zinc/12/31/42/257123142.db2.gz NCCMDLFAVJFGIB-LJQANCHMSA-N 1 0 306.434 4.589 40 0 DJABRO Cc1nc(SC2CCCCC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224889 257123539 /nfs/dbraw/zinc/12/35/39/257123539.db2.gz UQXGYGUKTJVING-IBGZPJMESA-N 1 0 312.482 4.863 40 0 DJABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072219302 257124145 /nfs/dbraw/zinc/12/41/45/257124145.db2.gz NUTJHFOKJSZAFK-IBGZPJMESA-N 1 0 315.505 4.563 40 0 DJABRO Cc1nc(Cl)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217927 257125262 /nfs/dbraw/zinc/12/52/62/257125262.db2.gz JMHUGKSATSXNFM-QGZVFWFLSA-N 1 0 300.833 4.771 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214217 257125811 /nfs/dbraw/zinc/12/58/11/257125811.db2.gz DDKBPYQOFPMSQN-IBGZPJMESA-N 1 0 309.457 4.787 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213864 257125910 /nfs/dbraw/zinc/12/59/10/257125910.db2.gz WZQOYIJZSBKROL-HXUWFJFHSA-N 1 0 321.468 4.773 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214219 257125969 /nfs/dbraw/zinc/12/59/69/257125969.db2.gz XOGPZDBOIHZAGC-IBGZPJMESA-N 1 0 309.457 4.785 40 0 DJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214262 257126593 /nfs/dbraw/zinc/12/65/93/257126593.db2.gz AGGXGJTVCZBURR-IBGZPJMESA-N 1 0 309.457 4.642 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212085 257127117 /nfs/dbraw/zinc/12/71/17/257127117.db2.gz HPJUUFNRFNDGMV-IBGZPJMESA-N 1 0 310.441 4.598 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212025 257127423 /nfs/dbraw/zinc/12/74/23/257127423.db2.gz HIDFCUVOYVXBHY-IBGZPJMESA-N 1 0 310.441 4.598 40 0 DJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212039 257127435 /nfs/dbraw/zinc/12/74/35/257127435.db2.gz IMLQVXMELQTFGT-LJQANCHMSA-N 1 0 310.441 4.596 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212978 257127589 /nfs/dbraw/zinc/12/75/89/257127589.db2.gz XYIOYIDXAQCUNX-LJQANCHMSA-N 1 0 317.521 4.888 40 0 DJABRO Clc1ccc2[nH+]c3c(c(N4CCCCC4)c2c1)CCCC3 ZINC000001666886 134445989 /nfs/dbraw/zinc/44/59/89/134445989.db2.gz RWJVTVGKOUTVRB-UHFFFAOYSA-N 1 0 300.833 4.757 40 0 DJABRO CCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000007261287 333002961 /nfs/dbraw/zinc/00/29/61/333002961.db2.gz XXCXAQGDZDJJEW-UHFFFAOYSA-N 1 0 313.441 4.554 40 0 DJABRO CC[N@@H+]1CCC[C@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000004365567 563327731 /nfs/dbraw/zinc/32/77/31/563327731.db2.gz IOIRMOPBZLQITN-HNNXBMFYSA-N 1 0 310.466 4.774 40 0 DJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cccc12 ZINC000008581115 563348075 /nfs/dbraw/zinc/34/80/75/563348075.db2.gz MQAILEBADOQSHB-CQSZACIVSA-N 1 0 319.880 4.811 40 0 DJABRO C[N@@H+]1CCC[C@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567783 563432297 /nfs/dbraw/zinc/43/22/97/563432297.db2.gz AEHACZVHKAVVDK-QGZVFWFLSA-N 1 0 304.437 4.568 40 0 DJABRO C[n+]1ccccc1/C=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000005002342 563623616 /nfs/dbraw/zinc/62/36/16/563623616.db2.gz AIWRQVPHEPPSBC-MDZDMXLPSA-N 1 0 319.409 4.551 40 0 DJABRO CC(C)C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006883643 563638959 /nfs/dbraw/zinc/63/89/59/563638959.db2.gz FQLVMNYOGKQRBQ-UHFFFAOYSA-N 1 0 303.833 4.665 40 0 DJABRO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000007261346 563639800 /nfs/dbraw/zinc/63/98/00/563639800.db2.gz XKWAUUYVDINGPF-UHFFFAOYSA-N 1 0 313.441 4.554 40 0 DJABRO C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008377304 563642273 /nfs/dbraw/zinc/64/22/73/563642273.db2.gz ZOIDUXODSKCGLJ-UHFFFAOYSA-N 1 0 311.812 4.792 40 0 DJABRO CCOc1ccccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008325584 563642283 /nfs/dbraw/zinc/64/22/83/563642283.db2.gz BYDHSDXSUJIDHU-SHYIKFMPSA-N 1 0 313.485 4.924 40 0 DJABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(OCCC)ccc21 ZINC000223764186 563735845 /nfs/dbraw/zinc/73/58/45/563735845.db2.gz JJAHPKDKDAOUNR-UHFFFAOYSA-N 1 0 302.462 4.648 40 0 DJABRO Cc1cc2cc(C[NH2+]CCc3ccccc3)c(Cl)nc2cc1C ZINC000013535444 563839997 /nfs/dbraw/zinc/83/99/97/563839997.db2.gz PDRDGJSUOHOXRD-UHFFFAOYSA-N 1 0 324.855 4.837 40 0 DJABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790204 563852228 /nfs/dbraw/zinc/85/22/28/563852228.db2.gz VNVVVTYUGHFWDF-AWEZNQCLSA-N 1 0 324.399 4.866 40 0 DJABRO Clc1ccccc1C[N@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000226250696 563913478 /nfs/dbraw/zinc/91/34/78/563913478.db2.gz DOVMWNHUVHNQDL-UHFFFAOYSA-N 1 0 323.827 4.506 40 0 DJABRO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccc(C)cc1 ZINC000007538080 568412386 /nfs/dbraw/zinc/41/23/86/568412386.db2.gz BGIFRUATDSACIR-UHFFFAOYSA-N 1 0 305.421 4.837 40 0 DJABRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000007538557 568412438 /nfs/dbraw/zinc/41/24/38/568412438.db2.gz PNKYWMJQFOCVPA-UHFFFAOYSA-N 1 0 303.405 4.652 40 0 DJABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358317 191130687 /nfs/dbraw/zinc/13/06/87/191130687.db2.gz DGWKJYJVCUIECA-SFHVURJKSA-N 1 0 321.468 4.574 40 0 DJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc3ccccc32)on1 ZINC000072395099 191149623 /nfs/dbraw/zinc/14/96/23/191149623.db2.gz VTDSXUXGMNUZMU-LAUBAEHRSA-N 1 0 320.436 4.637 40 0 DJABRO CC(C)[NH2+]C1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000001687515 180888312 /nfs/dbraw/zinc/88/83/12/180888312.db2.gz CLBBSJHIPCURMH-UHFFFAOYSA-N 1 0 317.864 4.609 40 0 DJABRO Cc1cccc([C@@H]2N[C@@H](c3cccc(C)c3)[C@H](C)C(=O)[C@@H]2C)c1 ZINC000004289848 181093186 /nfs/dbraw/zinc/09/31/86/181093186.db2.gz AHESAKCLGLIIOI-WOUAJJJCSA-N 1 0 307.437 4.530 40 0 DJABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889101 181168392 /nfs/dbraw/zinc/16/83/92/181168392.db2.gz BRKDPSAOJQTDPB-PLACYPQZSA-N 1 0 309.453 4.630 40 0 DJABRO Cc1cc(C)c2nc(Cl)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000005007954 181189694 /nfs/dbraw/zinc/18/96/94/181189694.db2.gz OCUZSGBGXGKCHE-UHFFFAOYSA-N 1 0 302.849 4.927 40 0 DJABRO c1ccc2c(c1)-c1nc3ccccc3cc1[C@@H]2[NH+]1CCCCC1 ZINC000005105153 181203579 /nfs/dbraw/zinc/20/35/79/181203579.db2.gz LIICALSJYTWEAL-OAQYLSRUSA-N 1 0 300.405 4.791 40 0 DJABRO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCCCC1 ZINC000005687132 181272319 /nfs/dbraw/zinc/27/23/19/181272319.db2.gz HPGBEHLMQIRMSG-UHFFFAOYSA-N 1 0 318.848 4.587 40 0 DJABRO [NH2+]=C1NC(c2ccc(Cl)cc2)=C[C@@H](c2ccc(F)cc2)S1 ZINC000005945032 181299084 /nfs/dbraw/zinc/29/90/84/181299084.db2.gz LLDYQVNFVDGWMZ-HNNXBMFYSA-N 1 0 318.804 4.832 40 0 DJABRO CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951295 181300199 /nfs/dbraw/zinc/30/01/99/181300199.db2.gz WXGKDINBEFIPNV-GOSISDBHSA-N 1 0 316.489 4.595 40 0 DJABRO CC[NH+](CC)CC[C@@](O)(c1cccc(Cl)c1)C1CCCCC1 ZINC000006382373 181335616 /nfs/dbraw/zinc/33/56/16/181335616.db2.gz HPMJHIWKEQZLMW-IBGZPJMESA-N 1 0 323.908 4.840 40 0 DJABRO C/C=C(\CC[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21)[Si](C)(C)C ZINC000195498429 201395673 /nfs/dbraw/zinc/39/56/73/201395673.db2.gz MWWNDHSQBOESHH-IDMFWIATSA-N 1 0 312.533 4.959 40 0 DJABRO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000008326794 181548589 /nfs/dbraw/zinc/54/85/89/181548589.db2.gz FMFXOPBWCHSSEJ-AWEZNQCLSA-N 1 0 303.833 4.807 40 0 DJABRO Clc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH]ccc43)c2c1 ZINC000015423528 182001293 /nfs/dbraw/zinc/00/12/93/182001293.db2.gz UCPHYMFATNWGJJ-UHFFFAOYSA-N 1 0 323.827 4.635 40 0 DJABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CC2)cc1 ZINC000016401757 182043878 /nfs/dbraw/zinc/04/38/78/182043878.db2.gz IOPGIOUPYUNHCI-UHFFFAOYSA-N 1 0 322.235 4.824 40 0 DJABRO Clc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1Cl ZINC000019984834 182173565 /nfs/dbraw/zinc/17/35/65/182173565.db2.gz YCMFXIDKRCKJHH-UHFFFAOYSA-N 1 0 319.235 4.807 40 0 DJABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1SC1CCCCC1 ZINC000072222802 257123274 /nfs/dbraw/zinc/12/32/74/257123274.db2.gz BNVTWKDERILEMB-GOSISDBHSA-N 1 0 312.482 4.863 40 0 DJABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219183 257124566 /nfs/dbraw/zinc/12/45/66/257124566.db2.gz ZEOFKUFMWKMMLC-LJQANCHMSA-N 1 0 315.505 4.563 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216726 257124814 /nfs/dbraw/zinc/12/48/14/257124814.db2.gz PYSHRBXSHUHSMA-LJQANCHMSA-N 1 0 315.505 4.789 40 0 DJABRO CC(C)Sc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217531 257124864 /nfs/dbraw/zinc/12/48/64/257124864.db2.gz HIGPNYLXXJDMCG-GOSISDBHSA-N 1 0 312.482 4.919 40 0 DJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214024 257126634 /nfs/dbraw/zinc/12/66/34/257126634.db2.gz DZCHERDJVHWBPM-SFHVURJKSA-N 1 0 301.478 4.763 40 0 DJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212103 257127463 /nfs/dbraw/zinc/12/74/63/257127463.db2.gz XDMGMICFXGTVOH-HXUWFJFHSA-N 1 0 324.468 4.988 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213039 257127481 /nfs/dbraw/zinc/12/74/81/257127481.db2.gz YPQKJODGFRVRMD-IBGZPJMESA-N 1 0 317.521 4.888 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008325993 563346079 /nfs/dbraw/zinc/34/60/79/563346079.db2.gz FYENNIPVOMHVOF-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO O[C@@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001594043 563286717 /nfs/dbraw/zinc/28/67/17/563286717.db2.gz XJMZJRWEOUFEJY-MOPGFXCFSA-N 1 0 315.844 4.601 40 0 DJABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2c(Cl)cccc12 ZINC000001591906 563286891 /nfs/dbraw/zinc/28/68/91/563286891.db2.gz MQAILEBADOQSHB-AWEZNQCLSA-N 1 0 319.880 4.811 40 0 DJABRO CC[NH+](CC)CC[C@](O)(c1cccc(Cl)c1)C1CCCCC1 ZINC000001698657 563291637 /nfs/dbraw/zinc/29/16/37/563291637.db2.gz HPMJHIWKEQZLMW-LJQANCHMSA-N 1 0 323.908 4.840 40 0 DJABRO CSC(c1ccc(Oc2ccccc2)cc1)=[N+]1CCCCC1 ZINC000001709596 563292415 /nfs/dbraw/zinc/29/24/15/563292415.db2.gz UUMIQNXNXJBTJY-UHFFFAOYSA-N 1 0 312.458 4.785 40 0 DJABRO CC[NH+](CC)C/C=C/[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001706629 563292588 /nfs/dbraw/zinc/29/25/88/563292588.db2.gz RGILJHRZERHZFJ-UZYOAWRESA-N 1 0 317.864 4.587 40 0 DJABRO CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000007261336 563337343 /nfs/dbraw/zinc/33/73/43/563337343.db2.gz IPLULWJRNZMCQI-UHFFFAOYSA-N 1 0 301.405 4.685 40 0 DJABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1cccs1 ZINC000008325988 563345831 /nfs/dbraw/zinc/34/58/31/563345831.db2.gz HBDCGOPIDKUHNQ-CQSZACIVSA-N 1 0 319.470 4.614 40 0 DJABRO C[NH+](C)[C@@H](CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000011678765 563359018 /nfs/dbraw/zinc/35/90/18/563359018.db2.gz CWLFFSMYYURBLY-NRFANRHFSA-N 1 0 305.421 4.912 40 0 in-man DJABRO C[C@H]([NH2+]Cc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 ZINC000096510700 563486216 /nfs/dbraw/zinc/48/62/16/563486216.db2.gz YHROQARFMQVDNG-HILYYZTDSA-N 1 0 308.469 4.862 40 0 DJABRO CC[NH+](CC)CCOc1cc(F)ccc1Oc1ccc(C)cc1 ZINC000585265485 563537017 /nfs/dbraw/zinc/53/70/17/563537017.db2.gz REMYECFQMKTNFB-UHFFFAOYSA-N 1 0 317.404 4.647 40 0 DJABRO C[NH+](C)CCCOc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000585266179 563537023 /nfs/dbraw/zinc/53/70/23/563537023.db2.gz GATQGVHKHZDITL-UHFFFAOYSA-N 1 0 323.795 4.602 40 0 DJABRO Cc1ccc(Oc2ccccc2OCC[C@H]2CCC[N@H+]2C)cc1 ZINC000585266222 563537041 /nfs/dbraw/zinc/53/70/41/563537041.db2.gz POYRTBGGUJLQBX-QGZVFWFLSA-N 1 0 311.425 4.650 40 0 DJABRO Clc1cccc(Oc2ccccc2OCC[NH+]2CCCC2)c1 ZINC000585265182 563537260 /nfs/dbraw/zinc/53/72/60/563537260.db2.gz ICRHRZQGJKVVBW-UHFFFAOYSA-N 1 0 317.816 4.607 40 0 DJABRO COc1ccc(-c2nc3ccc(C)cn3c2NC(C)(C)C)cc1 ZINC000000416282 563608788 /nfs/dbraw/zinc/60/87/88/563608788.db2.gz NHPILPWDDHNQHX-UHFFFAOYSA-N 1 0 309.413 4.529 40 0 DJABRO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006882531 563638933 /nfs/dbraw/zinc/63/89/33/563638933.db2.gz GTADFWLZFTXOBP-UHFFFAOYSA-N 1 0 303.833 4.807 40 0 DJABRO CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008227109 563641742 /nfs/dbraw/zinc/64/17/42/563641742.db2.gz HJLILHZDXQLERK-UHFFFAOYSA-N 1 0 309.384 4.667 40 0 DJABRO CCC[NH2+]Cc1c2cc(OC(C)C)ccc2n(CC(C)C)c1C ZINC000223766839 563735843 /nfs/dbraw/zinc/73/58/43/563735843.db2.gz OBAFKMLLTQMUER-UHFFFAOYSA-N 1 0 316.489 4.893 40 0 DJABRO CCCn1c(C)c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc21 ZINC000223769716 563736547 /nfs/dbraw/zinc/73/65/47/563736547.db2.gz UZMISVVXBLDIFV-UHFFFAOYSA-N 1 0 302.462 4.645 40 0 DJABRO c1nc([C@H]2CCCN2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251029 563792193 /nfs/dbraw/zinc/79/21/93/563792193.db2.gz JPCCDBWLTPDCJP-HXUWFJFHSA-N 1 0 318.420 4.603 40 0 DJABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccccc1 ZINC000003221534 563854809 /nfs/dbraw/zinc/85/48/09/563854809.db2.gz IPFSEYJCNQZRJD-UHFFFAOYSA-N 1 0 314.473 4.593 40 0 DJABRO Cc1cc2nc(C3=CC[N@H+](Cc4ccccc4)CC3)oc2c(C)c1 ZINC000226250427 563913274 /nfs/dbraw/zinc/91/32/74/563913274.db2.gz VKYJCCZRVOVCGR-UHFFFAOYSA-N 1 0 318.420 4.734 40 0 DJABRO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(C)ccc4o3)CC2)cc1 ZINC000226251186 563913473 /nfs/dbraw/zinc/91/34/73/563913473.db2.gz OIZOOJNFEBTALT-UHFFFAOYSA-N 1 0 318.420 4.734 40 0 DJABRO CCN(CC)c1ccc(C(=[NH2+])c2ccc(N(CC)CC)cc2)cc1 ZINC000001665693 180885890 /nfs/dbraw/zinc/88/58/90/180885890.db2.gz HPKYMNAXAKNZCR-UHFFFAOYSA-N 1 0 323.484 4.795 40 0 DJABRO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004030994 181065000 /nfs/dbraw/zinc/06/50/00/181065000.db2.gz XGRXZYRAXFHXCA-HKBOAZHASA-N 1 0 309.453 4.518 40 0 DJABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889100 181168838 /nfs/dbraw/zinc/16/88/38/181168838.db2.gz BRKDPSAOJQTDPB-XSDIEEQYSA-N 1 0 309.453 4.630 40 0 DJABRO C[NH+](C)CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004946300 181177438 /nfs/dbraw/zinc/17/74/38/181177438.db2.gz MEUYRTNYVMSPBR-UHFFFAOYSA-N 1 0 315.460 4.973 40 0 DJABRO C/C=C(/CC[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21)[Si](C)(C)C ZINC000195441661 201390714 /nfs/dbraw/zinc/39/07/14/201390714.db2.gz MWWNDHSQBOESHH-BLCJYSFRSA-N 1 0 312.533 4.959 40 0 DJABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OC ZINC000006857341 181398596 /nfs/dbraw/zinc/39/85/96/181398596.db2.gz OEHGCNKIZQSXHB-UHFFFAOYSA-N 1 0 313.869 4.662 40 0 DJABRO CCCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CCC ZINC000223770195 201656724 /nfs/dbraw/zinc/65/67/24/201656724.db2.gz SXHRIIZAPPFGAL-UHFFFAOYSA-N 1 0 302.462 4.647 40 0 DJABRO Clc1ccc2[nH]cc(CC[NH2+]Cc3ccc4[nH]ccc4c3)c2c1 ZINC000015424204 182001773 /nfs/dbraw/zinc/00/17/73/182001773.db2.gz ZUNJYQLXJQKQSC-UHFFFAOYSA-N 1 0 323.827 4.635 40 0 DJABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)cc1 ZINC000016480610 182046810 /nfs/dbraw/zinc/04/68/10/182046810.db2.gz ZJAXEGBTDGNZHP-UHFFFAOYSA-N 1 0 303.405 4.671 40 0 DJABRO CCCC[C@@H](CC)COCC([NH3+])COC[C@@H](CC)CCCC ZINC000016893022 182062617 /nfs/dbraw/zinc/06/26/17/182062617.db2.gz WZCCZANRAPTJPI-DFNIBXOVSA-N 1 0 315.542 4.780 40 0 DJABRO C[C@]12C[C@H](CC(C)(C)C1)N(C[N@@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)C2 ZINC000019330941 182116401 /nfs/dbraw/zinc/11/64/01/182116401.db2.gz ZZXYJYCEOKXSBN-USNOLKROSA-N 1 0 318.549 4.745 40 0 DJABRO Brc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000019997624 182175946 /nfs/dbraw/zinc/17/59/46/182175946.db2.gz JBPDRAFTYRKNJB-UHFFFAOYSA-N 1 0 320.274 4.508 40 0 DJABRO C[NH+](C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000021992584 182302349 /nfs/dbraw/zinc/30/23/49/182302349.db2.gz QUFZVVNFYXEIAK-KRWDZBQOSA-N 1 0 323.358 4.777 40 0 DJABRO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(CC)cc23)cc1 ZINC000062719687 184250405 /nfs/dbraw/zinc/25/04/05/184250405.db2.gz SMXKWGRLNKEGJM-UHFFFAOYSA-N 1 0 320.392 4.718 40 0 DJABRO Cc1cc(SC2CCCCC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223847 257123171 /nfs/dbraw/zinc/12/31/71/257123171.db2.gz HIYDKFIOIIQOIO-IBGZPJMESA-N 1 0 312.482 4.863 40 0 DJABRO Cc1nc(SCc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224500 257123397 /nfs/dbraw/zinc/12/33/97/257123397.db2.gz JBUCYSDXLKHEQX-HXUWFJFHSA-N 1 0 320.461 4.730 40 0 DJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc3ncccc3c2)cc1 ZINC000072221813 257124534 /nfs/dbraw/zinc/12/45/34/257124534.db2.gz HZRPFEXDVGSBOX-OAQYLSRUSA-N 1 0 302.421 4.962 40 0 DJABRO CC(C)CNc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213281 257125861 /nfs/dbraw/zinc/12/58/61/257125861.db2.gz PFFJHTDXPHGYJD-HXUWFJFHSA-N 1 0 323.484 4.877 40 0 DJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214203 257126094 /nfs/dbraw/zinc/12/60/94/257126094.db2.gz SPLFPSQYVNDFNR-LJQANCHMSA-N 1 0 309.457 4.787 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213981 257126206 /nfs/dbraw/zinc/12/62/06/257126206.db2.gz DILGFCLRKDEGFF-SFHVURJKSA-N 1 0 301.478 4.619 40 0 DJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214277 257126350 /nfs/dbraw/zinc/12/63/50/257126350.db2.gz LIMMKBSSWKRSIE-IBGZPJMESA-N 1 0 309.457 4.787 40 0 DJABRO CC(C)Oc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211926 257127220 /nfs/dbraw/zinc/12/72/20/257127220.db2.gz LSVOUMGKWYJREO-LJQANCHMSA-N 1 0 310.441 4.596 40 0 DJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212104 257127260 /nfs/dbraw/zinc/12/72/60/257127260.db2.gz XDMGMICFXGTVOH-FQEVSTJZSA-N 1 0 324.468 4.988 40 0 DJABRO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213483 257127440 /nfs/dbraw/zinc/12/74/40/257127440.db2.gz OCNHBINLNOCLPC-APWZRJJASA-N 1 0 309.457 4.629 40 0 DJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212101 257127612 /nfs/dbraw/zinc/12/76/12/257127612.db2.gz NYMAHSQWOAFYPD-HXUWFJFHSA-N 1 0 324.468 4.844 40 0 DJABRO COc1cccc([C@H](C)[NH2+]CCCc2ccccc2Cl)c1 ZINC000011726838 257137178 /nfs/dbraw/zinc/13/71/78/257137178.db2.gz ZVQUCWXZCKWZBP-AWEZNQCLSA-N 1 0 303.833 4.632 40 0 DJABRO c1ccc2sc([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168924 560084995 /nfs/dbraw/zinc/08/49/95/560084995.db2.gz XGCVISTXVBMJAA-HNNXBMFYSA-N 1 0 300.471 4.666 40 0 biogenic,in-vitro DJABRO C[C@@H](CCC[NH+]1CCCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000001666887 563290054 /nfs/dbraw/zinc/29/00/54/563290054.db2.gz FGEYLHAWJDNMTO-AWEZNQCLSA-N 1 0 317.864 4.565 40 0 DJABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000001718264 563293058 /nfs/dbraw/zinc/29/30/58/563293058.db2.gz SNHRXNFXZVBEDV-INIZCTEOSA-N 1 0 318.288 4.929 40 0 DJABRO CCCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000007261357 563337240 /nfs/dbraw/zinc/33/72/40/563337240.db2.gz KUWJWHPWBIDCOQ-UHFFFAOYSA-N 1 0 301.405 4.685 40 0 DJABRO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000008326043 563346096 /nfs/dbraw/zinc/34/60/96/563346096.db2.gz FMFXOPBWCHSSEJ-CQSZACIVSA-N 1 0 303.833 4.807 40 0 DJABRO CCOc1cccc(C[NH2+][C@@H](C)CC)c1OCc1ccccc1 ZINC000008326781 563346117 /nfs/dbraw/zinc/34/61/17/563346117.db2.gz QAXQJYJQEFHHPL-INIZCTEOSA-N 1 0 313.441 4.552 40 0 DJABRO C[C@H](CCC[NH+]1CCCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000008579986 563358338 /nfs/dbraw/zinc/35/83/38/563358338.db2.gz FGEYLHAWJDNMTO-CQSZACIVSA-N 1 0 317.864 4.565 40 0 DJABRO CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628043 563440350 /nfs/dbraw/zinc/44/03/50/563440350.db2.gz ZIIWILKHOWBKRY-KRWDZBQOSA-N 1 0 324.251 4.549 40 0 DJABRO Cc1ccc2nc(-c3ccc(O)cc3)c(NC3CCCCC3)n2c1 ZINC000000412102 563608293 /nfs/dbraw/zinc/60/82/93/563608293.db2.gz ARTIMRDZLIRIGD-UHFFFAOYSA-N 1 0 321.424 4.760 40 0 DJABRO COc1ccc(-c2nc3cccc(C)n3c2NC2CCCC2)cc1 ZINC000000417886 563608976 /nfs/dbraw/zinc/60/89/76/563608976.db2.gz JABIEDSHAICUHZ-UHFFFAOYSA-N 1 0 321.424 4.673 40 0 DJABRO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007262342 563639863 /nfs/dbraw/zinc/63/98/63/563639863.db2.gz BMKRFUGSWXXQAW-UHFFFAOYSA-N 1 0 307.796 4.558 40 0 DJABRO CCCOc1ccc2c(c1)c(C[NH2+]CC)c(C)n2CC(C)C ZINC000223764246 563735842 /nfs/dbraw/zinc/73/58/42/563735842.db2.gz IRHGQIXABIVKPT-UHFFFAOYSA-N 1 0 302.462 4.504 40 0 DJABRO CC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(CC(C)C)c1C ZINC000223765035 563735868 /nfs/dbraw/zinc/73/58/68/563735868.db2.gz BVPNINSQWBCEMX-HNNXBMFYSA-N 1 0 316.489 4.893 40 0 DJABRO Fc1cccc(C[N@H+]2CC=C(c3nc4ccccc4s3)CC2)c1 ZINC000216784565 563852083 /nfs/dbraw/zinc/85/20/83/563852083.db2.gz QDMLJUCWSJWLSX-UHFFFAOYSA-N 1 0 324.424 4.725 40 0 DJABRO Clc1ccc2oc([C@H]3CC[N@H+](Cc4cccs4)C3)nc2c1 ZINC000035446460 563867293 /nfs/dbraw/zinc/86/72/93/563867293.db2.gz NNYYNMPIJVFNPP-NSHDSACASA-N 1 0 318.829 4.532 40 0 biogenic,in-vitro DJABRO CC[N@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250053 563913424 /nfs/dbraw/zinc/91/34/24/563913424.db2.gz VDOBZZYIHZPQDD-UHFFFAOYSA-N 1 0 304.393 4.604 40 0 DJABRO c1cnc2c(c1)cccc2SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000014983436 563922723 /nfs/dbraw/zinc/92/27/23/563922723.db2.gz AGHBXQNGLDCAHT-IRXDYDNUSA-N 1 0 312.482 4.591 40 0 DJABRO CCCC[n+]1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000003043548 563941784 /nfs/dbraw/zinc/94/17/84/563941784.db2.gz WXTLGWNRTRFQEN-SNAWJCMRSA-N 1 0 317.250 4.707 40 0 DJABRO