smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219591 202001452 /nfs/dbraw/zinc/00/14/52/202001452.db2.gz XVNUFHUPJFLQFY-FQEVSTJZSA-N 2 0 339.487 2.822 50 0 EFAARP Fc1ccccc1C1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000020917300 202058627 /nfs/dbraw/zinc/05/86/27/202058627.db2.gz AABNQHOWTYITOP-UHFFFAOYSA-N 2 0 332.463 2.902 50 0 EFAARP O[C@]1(C[NH2+]CCc2ccccc2Oc2ccccc2)CCC[NH2+]C1 ZINC000072432837 216226964 /nfs/dbraw/zinc/22/69/64/216226964.db2.gz AUMQATMZBXYENX-HXUWFJFHSA-N 2 0 326.440 2.726 50 0 EFAARP Cc1ccc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244774251 243079821 /nfs/dbraw/zinc/07/98/21/243079821.db2.gz PQOHWCKFMBXKQP-QGZVFWFLSA-N 2 0 329.488 2.556 50 0 EFAARP CCCCN(Cc1ccccc1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072143163 203167905 /nfs/dbraw/zinc/16/79/05/203167905.db2.gz KAOQATAIYATTNV-GOSISDBHSA-N 2 0 329.488 2.547 50 0 EFAARP COc1cccc([C@@H]2CCC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072163127 203177344 /nfs/dbraw/zinc/17/73/44/203177344.db2.gz RKRABVOOJZOBOX-QGZVFWFLSA-N 2 0 340.471 2.765 50 0 EFAARP CC(C)[C@H]1CN(C(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072163119 203178055 /nfs/dbraw/zinc/17/80/55/203178055.db2.gz DTKRJDUIIAXGSV-LJQANCHMSA-N 2 0 349.494 2.836 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cccs1)CC[NH+](C)CC2 ZINC000072468957 203229206 /nfs/dbraw/zinc/22/92/06/203229206.db2.gz CQQDUJNKCFRRKK-KRWDZBQOSA-N 2 0 349.544 2.603 50 0 EFAARP [NH3+]CCc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000072468245 203229437 /nfs/dbraw/zinc/22/94/37/203229437.db2.gz IEXXBUMSYWKEBQ-UHFFFAOYSA-N 2 0 330.863 2.558 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccccc1C)CC[NH+](C)CC2 ZINC000072410852 203217298 /nfs/dbraw/zinc/21/72/98/203217298.db2.gz JWTHLSJMLPWOQB-LJQANCHMSA-N 2 0 343.515 2.808 50 0 EFAARP [NH3+]CCc1cccc(CN2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000072411826 203217524 /nfs/dbraw/zinc/21/75/24/203217524.db2.gz NDYBOGCZSACVMF-UHFFFAOYSA-N 2 0 329.513 2.957 50 0 EFAARP Cc1cc(N2CCN(C(=O)C[NH+]3CCCCCCC3)CC2)cc(C)[nH+]1 ZINC000077338259 203381413 /nfs/dbraw/zinc/38/14/13/203381413.db2.gz AYYATPXJNFUDMR-UHFFFAOYSA-N 2 0 344.503 2.613 50 0 EFAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC(=O)NC4CC4)C3)C2)c1 ZINC000426477787 247286063 /nfs/dbraw/zinc/28/60/63/247286063.db2.gz VQESLONAVAQRPG-OAQYLSRUSA-N 2 0 341.499 2.562 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCOCCO)CC2)C1 ZINC000091460879 218010006 /nfs/dbraw/zinc/01/00/06/218010006.db2.gz KMBLDGOUOSCRSG-HXUWFJFHSA-N 2 0 346.515 2.587 50 0 EFAARP CC[NH+]1CCC(CC(=O)NCCC[NH+]2Cc3ccccc3C2)CC1 ZINC000095374538 218308267 /nfs/dbraw/zinc/30/82/67/218308267.db2.gz SYQICOKOGSCESZ-UHFFFAOYSA-N 2 0 329.488 2.631 50 0 EFAARP [NH3+][C@H]1CCCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000215359649 303483455 /nfs/dbraw/zinc/48/34/55/303483455.db2.gz OBABKBYTMHFRQI-IBGZPJMESA-N 2 0 331.504 2.865 50 0 EFAARP Cc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc[nH+]1 ZINC000095503949 473216093 /nfs/dbraw/zinc/21/60/93/473216093.db2.gz GURJNUKISSDWTA-QGZVFWFLSA-N 2 0 327.476 2.922 50 0 EFAARP CC[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082127656 473293932 /nfs/dbraw/zinc/29/39/32/473293932.db2.gz JZBBNJNZLDZCPF-INIZCTEOSA-N 2 0 342.487 2.617 50 0 EFAARP C[NH+]1CCC(Cc2nc([C@H]3CC[NH2+]C3)n(CC3CCCCC3)n2)CC1 ZINC000096154027 473315992 /nfs/dbraw/zinc/31/59/92/473315992.db2.gz RDTVKFLZOOHVLZ-SFHVURJKSA-N 2 0 345.535 2.820 50 0 EFAARP NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000001530775 471391645 /nfs/dbraw/zinc/39/16/45/471391645.db2.gz XDRYMKDFEDOLFX-UHFFFAOYSA-N 2 0 340.427 2.883 50 0 biogenic,fda EFAARP C[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011771112 471758951 /nfs/dbraw/zinc/75/89/51/471758951.db2.gz HQRYFBXSWLOYNU-FQEVSTJZSA-N 2 0 335.536 2.833 50 0 EFAARP CCCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012593907 471783623 /nfs/dbraw/zinc/78/36/23/471783623.db2.gz ZYSXTOLCVMNHMV-QGZVFWFLSA-N 2 0 338.492 2.665 50 0 EFAARP C[NH+]1CCC2(CC1)CCC[N@H+](Cc1cccn1-c1ncccn1)CC2 ZINC000067692164 472073190 /nfs/dbraw/zinc/07/31/90/472073190.db2.gz OAQZKLQLAFYVGU-UHFFFAOYSA-N 2 0 339.487 2.965 50 0 EFAARP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000067714337 472078709 /nfs/dbraw/zinc/07/87/09/472078709.db2.gz PQGXHHOCZIAURX-INIZCTEOSA-N 2 0 328.460 2.730 50 0 EFAARP CCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C3CCCC3)CC2)C1 ZINC000067818437 472094142 /nfs/dbraw/zinc/09/41/42/472094142.db2.gz OGZREDMETRJAQQ-QGZVFWFLSA-N 2 0 335.536 2.879 50 0 EFAARP CC1CC[NH+](Cc2ccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)o2)CC1 ZINC000067946441 472113275 /nfs/dbraw/zinc/11/32/75/472113275.db2.gz QEXPQPIYUCEXKU-HXUWFJFHSA-N 2 0 345.487 2.727 50 0 EFAARP CC(C)C(=O)N1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055393566 472178456 /nfs/dbraw/zinc/17/84/56/472178456.db2.gz SJXVUWOUJLONHR-RBUKOAKNSA-N 2 0 335.536 2.735 50 0 EFAARP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044913393 472352707 /nfs/dbraw/zinc/35/27/07/472352707.db2.gz DHVVPWFXDPQDMZ-UHFFFAOYSA-N 2 0 329.488 2.501 50 0 EFAARP CN1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)CC12CC[NH2+]CC2 ZINC000097492409 472498805 /nfs/dbraw/zinc/49/88/05/472498805.db2.gz PQGHRNYEAAYSLM-UHFFFAOYSA-N 2 0 345.535 2.717 50 0 EFAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000097499669 472499006 /nfs/dbraw/zinc/49/90/06/472499006.db2.gz AVPHLJXAZSNQBD-KRWDZBQOSA-N 2 0 341.499 2.981 50 0 EFAARP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000097551219 472499781 /nfs/dbraw/zinc/49/97/81/472499781.db2.gz XOKPJEXNTSGBCD-UYAOXDASSA-N 2 0 341.499 2.695 50 0 EFAARP CC(C)N1CC2(CCC1=O)CC[NH+](Cc1ccc(CC[NH3+])cc1)CC2 ZINC000091625416 472784486 /nfs/dbraw/zinc/78/44/86/472784486.db2.gz DOPCEABKRQXRHG-UHFFFAOYSA-N 2 0 343.515 2.801 50 0 EFAARP CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(CC[NH3+])c1)C2 ZINC000091625328 472785292 /nfs/dbraw/zinc/78/52/92/472785292.db2.gz VSNZNTHIKDUYLT-VQTJNVASSA-N 2 0 341.499 2.577 50 0 EFAARP CCC[NH+]1CCC([NH+]2CCC(Cn3cc(C4CC4)nn3)CC2)CC1 ZINC000048356927 472863662 /nfs/dbraw/zinc/86/36/62/472863662.db2.gz KNEAYRICXCFEIB-UHFFFAOYSA-N 2 0 331.508 2.742 50 0 EFAARP C[NH+](C)CC[C@H]1CCCN(C(=O)CC[NH+]2Cc3ccccc3C2)C1 ZINC000222689119 474173361 /nfs/dbraw/zinc/17/33/61/474173361.db2.gz UMQASASSYOPXPK-QGZVFWFLSA-N 2 0 329.488 2.583 50 0 EFAARP COc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1C ZINC000223835963 474191886 /nfs/dbraw/zinc/19/18/86/474191886.db2.gz HYNFEWKQWQZURH-UHFFFAOYSA-N 2 0 332.488 2.674 50 0 EFAARP CCOc1cc(C)c(CN2CCN3CC[N@H+](C)C[C@H]3C2)cc1C(C)C ZINC000244735146 474567093 /nfs/dbraw/zinc/56/70/93/474567093.db2.gz NTLQZRUNZJFPPE-IBGZPJMESA-N 2 0 345.531 2.949 50 0 EFAARP O=C(C[NH+]1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670456658 547493608 /nfs/dbraw/zinc/49/36/08/547493608.db2.gz ODFKOJPLOJMHMB-IBGZPJMESA-N 2 0 329.488 2.816 50 0 EFAARP C[C@H](CCC(=O)Nc1ccccc1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000952860154 1284878659 /nfs/dbraw/zinc/87/86/59/1284878659.db2.gz GNYSCZMKLLBMIN-QGZVFWFLSA-N 2 0 345.487 2.722 50 0 EFAARP C[C@@H](CCC(=O)Nc1ccccc1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000952860153 1284879368 /nfs/dbraw/zinc/87/93/68/1284879368.db2.gz GNYSCZMKLLBMIN-KRWDZBQOSA-N 2 0 345.487 2.722 50 0 EFAARP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)CC ZINC000952962577 1284920616 /nfs/dbraw/zinc/92/06/16/1284920616.db2.gz CKHSEZUSFYJDTA-SFHVURJKSA-N 2 0 335.467 2.637 50 0 EFAARP C[NH+]1CCC2(CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000952983800 1284980696 /nfs/dbraw/zinc/98/06/96/1284980696.db2.gz QRNCOVYAXFBNNS-UHFFFAOYSA-N 2 0 335.536 2.878 50 0 EFAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012748852 1307182531 /nfs/dbraw/zinc/18/25/31/1307182531.db2.gz PQXKHHHKRUABOY-SFHVURJKSA-N 2 0 348.487 2.563 50 0 EFAARP C[NH+]1CCN(CC2(C[NH2+][C@H]3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)CC1 ZINC001506407814 1405755279 /nfs/dbraw/zinc/75/52/79/1405755279.db2.gz QGIQOZDPELQUPA-SPPIJZGPSA-N 2 0 331.548 2.818 50 0 EFAARP Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC001506411836 1405756857 /nfs/dbraw/zinc/75/68/57/1405756857.db2.gz UWXLAZQGVZFTQR-GOSISDBHSA-N 2 0 327.476 2.804 50 0 EFAARP c1cc(C[C@@H]2COC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)ccn1 ZINC001704299654 1417901416 /nfs/dbraw/zinc/90/14/16/1417901416.db2.gz QAURUOPMNXKLAT-YLJYHZDGSA-N 2 0 329.488 2.636 50 0 EFAARP C[N@H+](CCN1CCCCC1=O)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097619210 219041929 /nfs/dbraw/zinc/04/19/29/219041929.db2.gz AAIOJQVQVHDVGL-UHFFFAOYSA-N 2 0 335.517 2.788 50 0 EFAARP COc1ccc(-c2nc(CN3CCC([NH3+])CC3)c(C)o2)c(OC)c1C ZINC000067770949 215207797 /nfs/dbraw/zinc/20/77/97/215207797.db2.gz VLIHXMUAUFLVRA-UHFFFAOYSA-N 2 0 345.443 2.899 50 0 EFAARP COc1ccccc1/C=C/C[N@@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067954318 215258186 /nfs/dbraw/zinc/25/81/86/215258186.db2.gz DBUNVNWVUKQMBO-RMKNXTFCSA-N 2 0 343.515 2.810 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072411489 216203551 /nfs/dbraw/zinc/20/35/51/216203551.db2.gz OHIZIQXYDNVRKV-SFHVURJKSA-N 2 0 347.478 2.638 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCc1ccco1)CC[NH+](C)CC2 ZINC000072474587 216251106 /nfs/dbraw/zinc/25/11/06/216251106.db2.gz VDGJCMGCTSDLKF-GOSISDBHSA-N 2 0 347.503 2.525 50 0 EFAARP O=C1CC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072467867 216247268 /nfs/dbraw/zinc/24/72/68/216247268.db2.gz DYIGGCXISHAJAE-FUHWJXTLSA-N 2 0 347.528 2.561 50 0 EFAARP C[C@@H]1CCC[N@H+](CCCOc2ccccc2CN2CC[NH+](C)CC2)C1 ZINC000215256603 241115512 /nfs/dbraw/zinc/11/55/12/241115512.db2.gz RQNNDIBAGUVRDA-LJQANCHMSA-N 2 0 345.531 2.935 50 0 EFAARP CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216302212 241181101 /nfs/dbraw/zinc/18/11/01/241181101.db2.gz REULTHGJKKAWDG-LJQANCHMSA-N 2 0 349.494 2.836 50 0 EFAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000222477582 241519179 /nfs/dbraw/zinc/51/91/79/241519179.db2.gz XBDUDUGWUOBHBZ-UHFFFAOYSA-N 2 0 327.472 2.838 50 0 EFAARP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659882 243052643 /nfs/dbraw/zinc/05/26/43/243052643.db2.gz HKKLJAHJVKUSHS-QGZVFWFLSA-N 2 0 337.895 2.762 50 0 EFAARP CC[N@@H+]1CCC[C@@](C)(CN2CCC([NH+]3CCSCC3)CC2)C1 ZINC000020774494 212169387 /nfs/dbraw/zinc/16/93/87/212169387.db2.gz UVPZAGKPHUWUBL-GOSISDBHSA-N 2 0 325.566 2.622 50 0 EFAARP c1ccc(C[NH+]2CCC(N3CCC[C@H]([NH+]4CCCC4)C3)CC2)nc1 ZINC000019771314 212063331 /nfs/dbraw/zinc/06/33/31/212063331.db2.gz QSULKUWQBJYFRH-FQEVSTJZSA-N 2 0 328.504 2.606 50 0 EFAARP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CC[NH+](Cc2cccs2)CC3)C1 ZINC000091663647 218041777 /nfs/dbraw/zinc/04/17/77/218041777.db2.gz ANMYUNBYWOIKLD-INIZCTEOSA-N 2 0 347.528 2.657 50 0 EFAARP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000095372674 218305689 /nfs/dbraw/zinc/30/56/89/218305689.db2.gz FRMVUMUKGFNZFH-LJQANCHMSA-N 2 0 329.488 2.773 50 0 EFAARP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299787378 258094550 /nfs/dbraw/zinc/09/45/50/258094550.db2.gz QKKDCEIJTWGBSO-IBGZPJMESA-N 2 0 343.515 2.641 50 0 EFAARP CN(C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)C1CC[NH+](C)CC1 ZINC000299791094 258096759 /nfs/dbraw/zinc/09/67/59/258096759.db2.gz CLCPFRBNQUQNTP-ZCNNSNEGSA-N 2 0 341.499 2.765 50 0 EFAARP C[C@@H](C[NH3+])Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000299768165 258082170 /nfs/dbraw/zinc/08/21/70/258082170.db2.gz JVXOTLYPFPWFHB-KRWDZBQOSA-N 2 0 325.456 2.735 50 0 EFAARP CC[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082127657 276165844 /nfs/dbraw/zinc/16/58/44/276165844.db2.gz JZBBNJNZLDZCPF-MRXNPFEDSA-N 2 0 342.487 2.617 50 0 EFAARP CC1(C)CC(NCC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000020840822 280912940 /nfs/dbraw/zinc/91/29/40/280912940.db2.gz OFXVCLLHEWMVEQ-UHFFFAOYSA-N 3 0 338.584 2.784 50 0 EFAARP CN1c2ccccc2[C@@]2(CCC[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)C1=O ZINC000243914754 290321650 /nfs/dbraw/zinc/32/16/50/290321650.db2.gz BKIYSUMBOPLEQL-YRNRMSPPSA-N 2 0 327.472 2.514 50 0 EFAARP COCC[NH+]1CCC(C[N@H+](C)C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095526871 473220709 /nfs/dbraw/zinc/22/07/09/473220709.db2.gz JPOADCUGMNVMTR-IBGZPJMESA-N 2 0 346.515 2.918 50 0 EFAARP Cc1cc(N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000095509204 473217006 /nfs/dbraw/zinc/21/70/06/473217006.db2.gz RPGKSKWYPQFXCH-KRWDZBQOSA-N 2 0 337.471 2.826 50 0 EFAARP Cc1ccc(NC(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1F ZINC000096162328 473319718 /nfs/dbraw/zinc/31/97/18/473319718.db2.gz JTTWYEDEIPQMLM-UHFFFAOYSA-N 2 0 348.466 2.625 50 0 EFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000012574541 471782820 /nfs/dbraw/zinc/78/28/20/471782820.db2.gz GBGCARXXPAKKAA-INIZCTEOSA-N 2 0 338.492 2.665 50 0 EFAARP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012593569 471784332 /nfs/dbraw/zinc/78/43/32/471784332.db2.gz IKZVAEHPADMQHH-IBGZPJMESA-N 2 0 335.536 2.879 50 0 EFAARP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000012756339 471793890 /nfs/dbraw/zinc/79/38/90/471793890.db2.gz QUBXKDFFHSMKPK-UHFFFAOYSA-N 2 0 333.520 2.774 50 0 EFAARP Cc1ccc(C[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)cc1 ZINC000014995281 471883795 /nfs/dbraw/zinc/88/37/95/471883795.db2.gz XLQLDDSFNKSMOP-UHFFFAOYSA-N 2 0 329.488 2.515 50 0 EFAARP Cc1ccnc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000067856495 472098377 /nfs/dbraw/zinc/09/83/77/472098377.db2.gz UFEIZFAINOTQEF-UHFFFAOYSA-N 2 0 328.504 2.824 50 0 EFAARP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)c1 ZINC000077407074 472522826 /nfs/dbraw/zinc/52/28/26/472522826.db2.gz JXIQKESGMZTWSR-LJQANCHMSA-N 2 0 329.488 2.555 50 0 EFAARP Cc1cc(N2CC[C@](O)(C[NH+]3CCCCC3)C2)c2ccccc2[nH+]1 ZINC000077440720 472527826 /nfs/dbraw/zinc/52/78/26/472527826.db2.gz RGQFIYRDTCDICX-FQEVSTJZSA-N 2 0 325.456 2.970 50 0 EFAARP Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000215344376 474137651 /nfs/dbraw/zinc/13/76/51/474137651.db2.gz JYEUHOULWJNQRX-SFTDATJTSA-N 2 0 346.515 2.727 50 0 EFAARP C[NH+](C)CCOc1ccccc1CN1CC[NH+](CC2CCC2)CC1 ZINC000219935759 474151016 /nfs/dbraw/zinc/15/10/16/474151016.db2.gz FBDLYVRFJPPCAR-UHFFFAOYSA-N 2 0 331.504 2.545 50 0 EFAARP C[N@@H+]1CCCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000222827334 474175792 /nfs/dbraw/zinc/17/57/92/474175792.db2.gz TXONAHALWREVEC-UHFFFAOYSA-N 2 0 331.504 2.689 50 0 EFAARP C[C@@H]1CCC[N@H+](CCOc2ccccc2CN2CCC[NH+](C)CC2)C1 ZINC000223298749 474181960 /nfs/dbraw/zinc/18/19/60/474181960.db2.gz FXXKTRXKNZKSAA-LJQANCHMSA-N 2 0 345.531 2.935 50 0 EFAARP CO[C@]12CC[N@H+](Cc3cnc(C)n3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426413071 477706765 /nfs/dbraw/zinc/70/67/65/477706765.db2.gz YKRVSZDLOGZNDA-CEXWTWQISA-N 2 0 333.476 2.667 50 0 EFAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1ccccc1C ZINC000426693862 477738128 /nfs/dbraw/zinc/73/81/28/477738128.db2.gz UIQURJDIVCJMMP-AWEZNQCLSA-N 2 0 331.489 2.611 50 0 EFAARP COC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000216396001 536765674 /nfs/dbraw/zinc/76/56/74/536765674.db2.gz CAOJDHVONXNGLM-NRFANRHFSA-N 2 0 345.531 2.662 50 0 EFAARP C[C@H]1CCC[N@H+](CCOc2ccccc2CN2CCC[NH+](C)CC2)C1 ZINC000230562783 564051163 /nfs/dbraw/zinc/05/11/63/564051163.db2.gz FXXKTRXKNZKSAA-IBGZPJMESA-N 2 0 345.531 2.935 50 0 EFAARP c1ccc(CC[C@]23C[NH2+]C[C@H]2C[N@@H+](C2CSCCSC2)C3)cc1 ZINC001772706038 1249290778 /nfs/dbraw/zinc/29/07/78/1249290778.db2.gz OGSFAIWPFFJWCD-PKOBYXMFSA-N 2 0 348.581 2.989 50 0 EFAARP c1ccc(CC[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CSCCSC2)C3)cc1 ZINC001772706036 1249291398 /nfs/dbraw/zinc/29/13/98/1249291398.db2.gz OGSFAIWPFFJWCD-MJGOQNOKSA-N 2 0 348.581 2.989 50 0 EFAARP COc1ccc(CC[C@@H](C)[NH+]2CCC(CO)(C[NH+](C)C)CC2)cc1 ZINC001772708211 1249294688 /nfs/dbraw/zinc/29/46/88/1249294688.db2.gz AMHCCRJRFWDHJE-QGZVFWFLSA-N 2 0 334.504 2.652 50 0 EFAARP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012301932 1265831999 /nfs/dbraw/zinc/83/19/99/1265831999.db2.gz YAXOECSHXUDZQV-UHFFFAOYSA-N 2 0 330.451 2.935 50 0 EFAARP Cc1ccc2c(NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc[nH+]c2c1C ZINC001506413765 1405757923 /nfs/dbraw/zinc/75/79/23/1405757923.db2.gz KMIGCNUPEOUZHI-MRXNPFEDSA-N 2 0 340.471 2.851 50 0 EFAARP Cc1ccc2c(NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc[nH+]c2c1C ZINC001506413759 1405758088 /nfs/dbraw/zinc/75/80/88/1405758088.db2.gz KMIGCNUPEOUZHI-INIZCTEOSA-N 2 0 340.471 2.851 50 0 EFAARP C1CC([NH+]2CCC([NH2+]C3CSCCSC3)CC2)CCS1 ZINC001506417963 1405759962 /nfs/dbraw/zinc/75/99/62/1405759962.db2.gz MRABVAYVTDESGB-UHFFFAOYSA-N 2 0 332.604 2.785 50 0 EFAARP CCCNc1ncc(C[N@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001704342383 1417912078 /nfs/dbraw/zinc/91/20/78/1417912078.db2.gz AMYNQOGKQWFGOT-USTZCAOPSA-N 2 0 331.508 2.849 50 0 EFAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055307369 214304599 /nfs/dbraw/zinc/30/45/99/214304599.db2.gz VDWCNRICRJHIEG-UHFFFAOYSA-N 2 0 331.508 2.914 50 0 EFAARP c1ccc(C(c2ccccc2)N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102780060 219230632 /nfs/dbraw/zinc/23/06/32/219230632.db2.gz JSTZXWLPWQBLGC-ZBYYUNFXSA-N 2 0 347.506 2.859 50 0 EFAARP Cc1occc1C(=O)NC[C@H]1CC[N@@H+](CC2CC[NH+](C(C)C)CC2)C1 ZINC000067675672 215180015 /nfs/dbraw/zinc/18/00/15/215180015.db2.gz OWWVLIWDANYTQK-GOSISDBHSA-N 2 0 347.503 2.760 50 0 EFAARP Cc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@@H](C)[NH+](C)C)CC3)cc2c1 ZINC000067723206 215194502 /nfs/dbraw/zinc/19/45/02/215194502.db2.gz NFCAGOBJVUVFKZ-OAHLLOKOSA-N 2 0 327.472 2.999 50 0 EFAARP O[C@H]1[C@H]([NH2+]Cc2cccc(F)c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072126573 216017487 /nfs/dbraw/zinc/01/74/87/216017487.db2.gz CGSASRRRURLJQM-MOPGFXCFSA-N 2 0 326.415 2.652 50 0 EFAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(CC3CC[NH2+]CC3)c1)C2 ZINC000072152380 216040459 /nfs/dbraw/zinc/04/04/59/216040459.db2.gz VIHCZIWCHWFJJX-VQTJNVASSA-N 2 0 341.499 2.537 50 0 EFAARP O[C@H]1[C@H]([NH2+]CCc2cccc(F)c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072153768 216042697 /nfs/dbraw/zinc/04/26/97/216042697.db2.gz WCFZLLCKAPQTIE-UXHICEINSA-N 2 0 340.442 2.695 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cccc(F)c1)CC[NH+](C)CC2 ZINC000072468119 216247699 /nfs/dbraw/zinc/24/76/99/216247699.db2.gz DMVZZICXEIQXLT-GOSISDBHSA-N 2 0 347.478 2.638 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072474902 216252417 /nfs/dbraw/zinc/25/24/17/216252417.db2.gz AKGCUXPKBGLHES-SFHVURJKSA-N 2 0 347.503 2.743 50 0 EFAARP C[C@H]1CCC[N@H+](CCCOc2ccccc2CN2CC[NH+](C)CC2)C1 ZINC000215256653 241113502 /nfs/dbraw/zinc/11/35/02/241113502.db2.gz RQNNDIBAGUVRDA-IBGZPJMESA-N 2 0 345.531 2.935 50 0 EFAARP c1ccc(OCCC[NH+]2CCCCC2)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000215772564 241144160 /nfs/dbraw/zinc/14/41/60/241144160.db2.gz LRWISGWHFYABFE-BGYRXZFFSA-N 2 0 343.515 2.593 50 0 EFAARP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000012307332 211341325 /nfs/dbraw/zinc/34/13/25/211341325.db2.gz DRDYGIRYFAPKLF-LJQANCHMSA-N 2 0 342.487 2.630 50 0 EFAARP C[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011771121 211245966 /nfs/dbraw/zinc/24/59/66/211245966.db2.gz HQRYFBXSWLOYNU-HXUWFJFHSA-N 2 0 335.536 2.833 50 0 EFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000011661651 211230565 /nfs/dbraw/zinc/23/05/65/211230565.db2.gz CHSRCWZKCNDINC-QGZVFWFLSA-N 2 0 338.492 2.522 50 0 EFAARP CSc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000095381124 218313117 /nfs/dbraw/zinc/31/31/17/218313117.db2.gz OPUPPGWRLDJAQQ-UHFFFAOYSA-N 2 0 343.500 2.848 50 0 EFAARP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000097425742 219023570 /nfs/dbraw/zinc/02/35/70/219023570.db2.gz FBEOKGNDRDPHDW-SFHVURJKSA-N 2 0 328.460 2.665 50 0 EFAARP O=c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c2cccc3c2n1CCC3 ZINC000067431704 285217374 /nfs/dbraw/zinc/21/73/74/285217374.db2.gz ZISMFLLCJHVLNQ-UHFFFAOYSA-N 2 0 337.467 2.523 50 0 EFAARP OCC1([NH2+]Cc2ccc(O[C@@]34CC[N@H+](C3)CCC4)cc2)CCCC1 ZINC000067822176 285248876 /nfs/dbraw/zinc/24/88/76/285248876.db2.gz UPJOZGZGYSQBGO-FQEVSTJZSA-N 2 0 330.472 2.698 50 0 EFAARP O[C@H]1C[C@@H]([C@H](Cc2ccccn2)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000223735835 296586064 /nfs/dbraw/zinc/58/60/64/296586064.db2.gz HJKRPLDPXYMNID-VDGAXYAQSA-N 2 0 343.515 2.666 50 0 EFAARP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CC[NH+](Cc2ccsc2)CC3)C1 ZINC000095516439 473218068 /nfs/dbraw/zinc/21/80/68/473218068.db2.gz JHGXPDKUIZULGS-KRWDZBQOSA-N 2 0 347.528 2.657 50 0 EFAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095518085 473218342 /nfs/dbraw/zinc/21/83/42/473218342.db2.gz NQBPZZLDINFCFM-SFHVURJKSA-N 2 0 348.487 2.517 50 0 EFAARP [NH2+]=C1NC(=[NH2+])N(CCc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)N1 ZINC000006819927 471572274 /nfs/dbraw/zinc/57/22/74/471572274.db2.gz RPKVMNWWHQCISS-OAHLLOKOSA-N 2 0 345.809 2.665 50 0 EFAARP [NH3+]C1CC(c2cc(NCc3cccc(C[NH+]4CCCC4)c3)ncn2)C1 ZINC000223718486 474190420 /nfs/dbraw/zinc/19/04/20/474190420.db2.gz OJCAMTWVKVFQMT-UHFFFAOYSA-N 2 0 337.471 2.889 50 0 EFAARP C[N@@H+]1CCN2CCN(Cc3ccc(-c4ccccc4F)cc3)C[C@H]2C1 ZINC000244701120 474564973 /nfs/dbraw/zinc/56/49/73/474564973.db2.gz KAODPGAVUFILTR-LJQANCHMSA-N 2 0 339.458 2.924 50 0 EFAARP O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000534639295 478165008 /nfs/dbraw/zinc/16/50/08/478165008.db2.gz OMTDGGHHSRLRID-QGZVFWFLSA-N 2 0 335.879 2.593 50 0 EFAARP CC[NH+](CC)Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)o1 ZINC000219453605 535599461 /nfs/dbraw/zinc/59/94/61/535599461.db2.gz WTPNRZKFOYJDOG-MRXNPFEDSA-N 2 0 335.492 2.986 50 0 EFAARP C[NH+](C)Cc1csc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)c1 ZINC000216084499 536061009 /nfs/dbraw/zinc/06/10/09/536061009.db2.gz GYZCKFHEDXTILB-UHFFFAOYSA-N 2 0 344.528 2.913 50 0 EFAARP C[N@H+](CCCC[NH+]1CCOCC1)Cc1ccc2cc(F)ccc2n1 ZINC000215259526 536334527 /nfs/dbraw/zinc/33/45/27/536334527.db2.gz QKKNDTJUTUWPLS-UHFFFAOYSA-N 2 0 331.435 2.918 50 0 EFAARP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)CC ZINC000952962574 1284919596 /nfs/dbraw/zinc/91/95/96/1284919596.db2.gz CKHSEZUSFYJDTA-GOSISDBHSA-N 2 0 335.467 2.637 50 0 EFAARP C[NH+]1CCC(Oc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000952968206 1284964455 /nfs/dbraw/zinc/96/44/55/1284964455.db2.gz KHJDGKPBGSVORZ-UHFFFAOYSA-N 2 0 345.487 2.974 50 0 EFAARP CN(Cc1ccccc1C[NH+](C)C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095375471 1292096375 /nfs/dbraw/zinc/09/63/75/1292096375.db2.gz JPISPWQCPMTKCL-LJQANCHMSA-N 2 0 331.504 2.971 50 0 EFAARP Cc1cc(F)ccc1N1CCC([N@@H+]2CCOC[C@H](C[NH+](C)C)C2)CC1 ZINC001506424321 1405763012 /nfs/dbraw/zinc/76/30/12/1405763012.db2.gz KNQJXLYTIUHEJH-QGZVFWFLSA-N 2 0 349.494 2.613 50 0 EFAARP CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095521263 717544150 /nfs/dbraw/zinc/54/41/50/717544150.db2.gz AYTNRYCWXXCPHJ-KRWDZBQOSA-N 2 0 349.494 2.838 50 0 EFAARP CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000023338067 718065318 /nfs/dbraw/zinc/06/53/18/718065318.db2.gz PDDADIFYLPLKGE-INIZCTEOSA-N 2 0 335.517 2.514 50 0 EFAARP C[N@@H+]1CCC2(CCN(c3cc[nH+]c4ccccc43)CC2)[C@@H](CO)C1 ZINC000097713675 219050663 /nfs/dbraw/zinc/05/06/63/219050663.db2.gz MHERGJYIRBONTO-MRXNPFEDSA-N 2 0 325.456 2.765 50 0 EFAARP C[NH+]1CCC2(CC1)CCC[N@H+](CCn1c3ccccc3oc1=O)CC2 ZINC000067946703 215255418 /nfs/dbraw/zinc/25/54/18/215255418.db2.gz POLJZSBCXIIVQI-UHFFFAOYSA-N 2 0 343.471 2.792 50 0 EFAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000072140112 216025938 /nfs/dbraw/zinc/02/59/38/216025938.db2.gz HVELCEAWPLQPJJ-LJQANCHMSA-N 2 0 336.451 2.567 50 0 EFAARP CC(C)([NH3+])CN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072158419 216048684 /nfs/dbraw/zinc/04/86/84/216048684.db2.gz UMIZZZOCDOTKOF-RCCFBDPRSA-N 2 0 335.442 2.564 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCC1=CCCCC1)CC[NH+](C)CC2 ZINC000072470183 216249101 /nfs/dbraw/zinc/24/91/01/216249101.db2.gz GZPALELSSHMSJG-GOSISDBHSA-N 2 0 333.520 2.799 50 0 EFAARP O=C1CC[C@@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC000072478164 216257661 /nfs/dbraw/zinc/25/76/61/216257661.db2.gz ZGIGMDMKJFOTIT-OAQYLSRUSA-N 2 0 341.499 2.643 50 0 EFAARP O=C(NCCCC[NH+]1CCCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000214982992 241100030 /nfs/dbraw/zinc/10/00/30/241100030.db2.gz NDEIZQSBYQWFSN-LJQANCHMSA-N 2 0 329.488 2.759 50 0 EFAARP Cc1cc(C[N@H+]2CCCC[C@H]2C)c(C)c(C[NH+]2CCNC(=O)CC2)c1 ZINC000215729945 241140974 /nfs/dbraw/zinc/14/09/74/241140974.db2.gz PFATYNAPYKJEBS-QGZVFWFLSA-N 2 0 343.515 3.000 50 0 EFAARP COc1ccc(CN2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)c(F)c1 ZINC000020869183 212180508 /nfs/dbraw/zinc/18/05/08/212180508.db2.gz CHFFWSZTXRMNRO-KRWDZBQOSA-N 2 0 337.483 2.682 50 0 EFAARP c1ccc(C[NH+]2CCC(N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)nc1 ZINC000019771313 212062775 /nfs/dbraw/zinc/06/27/75/212062775.db2.gz QSULKUWQBJYFRH-HXUWFJFHSA-N 2 0 328.504 2.606 50 0 EFAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCCCCC1 ZINC000079496741 217235405 /nfs/dbraw/zinc/23/54/05/217235405.db2.gz SZFMBFJAMWSFSP-UHFFFAOYSA-N 2 0 347.503 2.843 50 0 EFAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC(=O)NC4CC4)C3)C2)c1 ZINC000426477786 247286011 /nfs/dbraw/zinc/28/60/11/247286011.db2.gz VQESLONAVAQRPG-NRFANRHFSA-N 2 0 341.499 2.562 50 0 EFAARP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000012307333 211341389 /nfs/dbraw/zinc/34/13/89/211341389.db2.gz DRDYGIRYFAPKLF-IBGZPJMESA-N 2 0 342.487 2.630 50 0 EFAARP OC[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091548194 218020761 /nfs/dbraw/zinc/02/07/61/218020761.db2.gz DJYRSQYXYAIGQB-RTBURBONSA-N 2 0 327.472 2.694 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCCC(N)=O)CC2)C1 ZINC000091594827 218028524 /nfs/dbraw/zinc/02/85/24/218028524.db2.gz SKOIANSQMWZXOS-LJQANCHMSA-N 2 0 343.515 2.844 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000091616282 218031312 /nfs/dbraw/zinc/03/13/12/218031312.db2.gz QKBIOMPANBAIDV-IBGZPJMESA-N 2 0 343.515 2.666 50 0 EFAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2cccs2)CC3)C1 ZINC000091663648 218041724 /nfs/dbraw/zinc/04/17/24/218041724.db2.gz ANMYUNBYWOIKLD-MRXNPFEDSA-N 2 0 347.528 2.657 50 0 EFAARP CCOc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434576 211172932 /nfs/dbraw/zinc/17/29/32/211172932.db2.gz KPXKDBGDZMKVMQ-UHFFFAOYSA-N 2 0 327.266 2.937 50 0 EFAARP Cc1c[nH+]ccc1N1CCN(C(=O)CC2CC[NH+](C(C)C)CC2)CC1 ZINC000095376870 218309912 /nfs/dbraw/zinc/30/99/12/218309912.db2.gz JAPYGJOVOHCJOD-UHFFFAOYSA-N 2 0 344.503 2.549 50 0 EFAARP Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)nc(N)[nH+]1 ZINC000095379019 218311290 /nfs/dbraw/zinc/31/12/90/218311290.db2.gz YKTXUGGZAKJZMN-GFCCVEGCSA-N 2 0 331.489 2.618 50 0 EFAARP Cc1cc[nH+]c(NCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000095380555 218312733 /nfs/dbraw/zinc/31/27/33/218312733.db2.gz VFGGYNDFKMMLMK-SFHVURJKSA-N 2 0 338.455 2.699 50 0 EFAARP Cc1ccc([C@H]2CN(c3cc(C)[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095384822 218316501 /nfs/dbraw/zinc/31/65/01/218316501.db2.gz KNPKSPVVSGPYER-MISYRCLQSA-N 2 0 349.482 2.742 50 0 EFAARP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000097499668 219030598 /nfs/dbraw/zinc/03/05/98/219030598.db2.gz AVPHLJXAZSNQBD-QGZVFWFLSA-N 2 0 341.499 2.981 50 0 EFAARP C[NH+](C)Cc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000299781098 258090036 /nfs/dbraw/zinc/09/00/36/258090036.db2.gz DDQGSWVKAGFIRQ-UHFFFAOYSA-N 2 0 329.488 2.773 50 0 EFAARP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000299786926 258093391 /nfs/dbraw/zinc/09/33/91/258093391.db2.gz YFWCBFLLUKRKDR-HXUWFJFHSA-N 2 0 343.515 2.543 50 0 EFAARP CC[C@H](C[NH2+]C1CCN(c2ccccc2C)CC1)N1CC[NH+](C)CC1 ZINC000067866792 132813271 /nfs/dbraw/zinc/81/32/71/132813271.db2.gz UWZKDDKKXYMKBN-HXUWFJFHSA-N 2 0 344.547 2.579 50 0 EFAARP O=C(c1ccco1)N1CCC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067955713 275014281 /nfs/dbraw/zinc/01/42/81/275014281.db2.gz GAGINVIOQHZHHR-KRWDZBQOSA-N 2 0 345.487 2.786 50 0 EFAARP Cc1c[nH+]ccc1N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095517645 473217746 /nfs/dbraw/zinc/21/77/46/473217746.db2.gz LDMGACXRZIAYBR-KRWDZBQOSA-N 2 0 327.476 2.922 50 0 EFAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)CC(C)(C)CO)C2)cc1 ZINC000012710467 471790466 /nfs/dbraw/zinc/79/04/66/471790466.db2.gz HBWDBYPNZDGHAO-IBGZPJMESA-N 2 0 348.531 2.900 50 0 EFAARP [NH3+]CCc1cccc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000077387750 472518258 /nfs/dbraw/zinc/51/82/58/472518258.db2.gz UCZLPLRREPWUBH-UHFFFAOYSA-N 2 0 349.522 2.863 50 0 EFAARP CC(C)[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746424 472558953 /nfs/dbraw/zinc/55/89/53/472558953.db2.gz AYCPPSDGRYWLJC-SFHVURJKSA-N 2 0 347.478 2.766 50 0 EFAARP FC(F)(F)c1cccc(C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000071759146 472561473 /nfs/dbraw/zinc/56/14/73/472561473.db2.gz POHBJJKMJVODQA-KRWDZBQOSA-N 2 0 342.405 2.948 50 0 EFAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000072426565 472664003 /nfs/dbraw/zinc/66/40/03/472664003.db2.gz ZEKFKLFUIAXHLS-LJQANCHMSA-N 2 0 343.515 2.542 50 0 EFAARP CN1CC[NH+](CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000215938273 474139974 /nfs/dbraw/zinc/13/99/74/474139974.db2.gz AGZVIGWDGJYORE-UHFFFAOYSA-N 2 0 338.499 2.694 50 0 EFAARP CN1CC[N@H+](Cc2ccc([C@H]3CCCO3)s2)CC12CC[NH+](C)CC2 ZINC000823770304 1265427424 /nfs/dbraw/zinc/42/74/24/1265427424.db2.gz UNLBQMBVBYKIBS-QGZVFWFLSA-N 2 0 349.544 2.811 50 0 EFAARP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCC[NH+](C)C2)C1 ZINC000012191397 1265144968 /nfs/dbraw/zinc/14/49/68/1265144968.db2.gz VDTDXIUWOBLAMG-GUDVDZBRSA-N 2 0 335.536 2.687 50 0 EFAARP CSCC[NH+]1CCC(NC(=O)[C@H](c2cccc(C)c2)N(C)C)CC1 ZINC000952965433 1284924681 /nfs/dbraw/zinc/92/46/81/1284924681.db2.gz RRQVUDSIQUQZNE-SFHVURJKSA-N 2 0 349.544 2.541 50 0 EFAARP OC[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3cc(O)ccc3c2)C1 ZINC000952973559 1284946615 /nfs/dbraw/zinc/94/66/15/1284946615.db2.gz NWTWRDSIGZPQAK-QGZVFWFLSA-N 2 0 328.456 2.729 50 0 EFAARP Cn1ccnc1C[N@@H+]1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015070906 1311466710 /nfs/dbraw/zinc/46/67/10/1311466710.db2.gz MSEPUFNHFNKVIB-IBGZPJMESA-N 2 0 339.487 2.549 50 0 EFAARP C[NH+]1CCN(CC2(C[NH2+][C@@H]3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)CC1 ZINC001506407778 1405755378 /nfs/dbraw/zinc/75/53/78/1405755378.db2.gz QGIQOZDPELQUPA-QWRMLLQVSA-N 2 0 331.548 2.818 50 0 EFAARP c1cc(C[C@@H]2COC[C@@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)ccn1 ZINC001704300204 1417901556 /nfs/dbraw/zinc/90/15/56/1417901556.db2.gz QAURUOPMNXKLAT-XLIONFOSSA-N 2 0 329.488 2.636 50 0 EFAARP Cc1cc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC001704313595 1417904594 /nfs/dbraw/zinc/90/45/94/1417904594.db2.gz RKCFOANENDGAFX-WOJBJXKFSA-N 2 0 343.446 2.965 50 0 EFAARP CCc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003683900 718409072 /nfs/dbraw/zinc/40/90/72/718409072.db2.gz UDDXYEJJMSOPNQ-KRWDZBQOSA-N 2 0 334.504 2.888 50 0 EFAARP CC(C)[NH+]1CCC(C[NH+]2CCC(N3CCSCC3)CC2)CC1 ZINC000019299977 202004326 /nfs/dbraw/zinc/00/43/26/202004326.db2.gz TZKJQGWZQOIOPM-UHFFFAOYSA-N 2 0 325.566 2.620 50 0 EFAARP C[N@H+](Cc1ccc(F)cc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019789742 202020868 /nfs/dbraw/zinc/02/08/68/202020868.db2.gz HBEPDKZZACTCAJ-UXHICEINSA-N 2 0 340.442 2.995 50 0 EFAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 ZINC000091390898 283447287 /nfs/dbraw/zinc/44/72/87/283447287.db2.gz LPZHECPOQUQELY-UHFFFAOYSA-N 2 0 341.499 2.555 50 0 EFAARP O=C1CC[C@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC000072478163 216257178 /nfs/dbraw/zinc/25/71/78/216257178.db2.gz ZGIGMDMKJFOTIT-NRFANRHFSA-N 2 0 341.499 2.643 50 0 EFAARP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)[nH+]1 ZINC000097200853 201382417 /nfs/dbraw/zinc/38/24/17/201382417.db2.gz WEKSRHUGIRJBSV-KRWDZBQOSA-N 2 0 330.476 2.526 50 0 EFAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000055199753 202683872 /nfs/dbraw/zinc/68/38/72/202683872.db2.gz DRIJEUZQRSSLNK-UHFFFAOYSA-N 2 0 345.535 2.990 50 0 EFAARP [NH3+]C[C@H]1CCCCN1Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000215654888 241138066 /nfs/dbraw/zinc/13/80/66/241138066.db2.gz CDRUTSJXNLKVKN-LJQANCHMSA-N 2 0 331.504 2.865 50 0 EFAARP CCc1oc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1C[NH+]1CCCC1 ZINC000071278656 203089152 /nfs/dbraw/zinc/08/91/52/203089152.db2.gz NVDRMPXSRKDHER-HNNXBMFYSA-N 2 0 333.476 2.509 50 0 EFAARP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745392 203105411 /nfs/dbraw/zinc/10/54/11/203105411.db2.gz VHQKLPALLBOTKU-HXUWFJFHSA-N 2 0 343.515 2.841 50 0 EFAARP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072135233 203167093 /nfs/dbraw/zinc/16/70/93/203167093.db2.gz VLJXWSAYQIPGQS-FQEVSTJZSA-N 2 0 329.488 2.940 50 0 EFAARP Fc1cc(F)cc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167844 203180285 /nfs/dbraw/zinc/18/02/85/203180285.db2.gz QRGPIHQSELZCAY-XUVXKRRUSA-N 2 0 347.453 2.579 50 0 EFAARP C[C@H](C1CC[NH+](Cc2ccc(O)cc2Cl)CC1)[NH+]1CCOCC1 ZINC000072479100 203233343 /nfs/dbraw/zinc/23/33/43/203233343.db2.gz JTIJWKNQMFVDBQ-CQSZACIVSA-N 2 0 338.879 2.978 50 0 EFAARP CC1(C)CC(n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CC(C)(C)[NH2+]1 ZINC000072448009 203227216 /nfs/dbraw/zinc/22/72/16/203227216.db2.gz DAOSAOCEYPRRTA-UHFFFAOYSA-N 2 0 342.491 2.722 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccccc1F)CC[NH+](C)CC2 ZINC000072454055 203227446 /nfs/dbraw/zinc/22/74/46/203227446.db2.gz FCOJIAJRTMEJAW-GOSISDBHSA-N 2 0 347.478 2.638 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCC1=CCCCC1)CC[NH+](C)CC2 ZINC000072470185 203228852 /nfs/dbraw/zinc/22/88/52/203228852.db2.gz GZPALELSSHMSJG-SFHVURJKSA-N 2 0 333.520 2.799 50 0 EFAARP CCCc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)o1 ZINC000072469488 203229287 /nfs/dbraw/zinc/22/92/87/203229287.db2.gz QOJFXIGQIQANTB-UHFFFAOYSA-N 2 0 349.475 2.581 50 0 EFAARP C[C@H](c1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1)[NH+](C)C ZINC000102160997 204032748 /nfs/dbraw/zinc/03/27/48/204032748.db2.gz KGTFFGSMGSOARF-XCLNPWKQSA-N 2 0 341.499 2.609 50 0 EFAARP Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299791826 258097492 /nfs/dbraw/zinc/09/74/92/258097492.db2.gz DTKGKTKXDKMGOF-UHFFFAOYSA-N 2 0 328.460 2.789 50 0 EFAARP CN1CCC([N@H+](C)Cc2cccc(OC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000299765666 258081049 /nfs/dbraw/zinc/08/10/49/258081049.db2.gz BNNHLDSEYYCTAP-SFHVURJKSA-N 2 0 331.504 2.591 50 0 EFAARP C1CC2(CC[NH2+]1)CCC([NH2+]C1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000067895242 275414306 /nfs/dbraw/zinc/41/43/06/275414306.db2.gz FMZBEDDMSBATQB-UHFFFAOYSA-N 3 0 335.536 2.532 50 0 EFAARP CN1CCC[N@H+](Cc2cccc3cnccc32)CC12CC[NH+](C)CC2 ZINC000067847252 277035634 /nfs/dbraw/zinc/03/56/34/277035634.db2.gz OYOITBPDYRCIBG-UHFFFAOYSA-N 2 0 338.499 2.837 50 0 EFAARP C[NH+](C)[C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000072428213 289368513 /nfs/dbraw/zinc/36/85/13/289368513.db2.gz NBHHQKQGIRXRTQ-IBGZPJMESA-N 2 0 343.515 2.593 50 0 EFAARP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095504289 473215309 /nfs/dbraw/zinc/21/53/09/473215309.db2.gz ISSBGLRTOLMOEK-RMYQPGKMSA-N 2 0 341.499 2.772 50 0 EFAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000011951776 471762140 /nfs/dbraw/zinc/76/21/40/471762140.db2.gz OQZOEXRWOKWOSR-INIZCTEOSA-N 2 0 333.520 2.774 50 0 EFAARP COC(=O)c1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1 ZINC000067490605 472039673 /nfs/dbraw/zinc/03/96/73/472039673.db2.gz WBJDYEYGDLXAQU-UHFFFAOYSA-N 2 0 339.439 2.889 50 0 EFAARP O=C(c1ccoc1)N1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067756920 472085184 /nfs/dbraw/zinc/08/51/84/472085184.db2.gz ABKUTENFXKVWSL-UHFFFAOYSA-N 2 0 345.487 2.740 50 0 EFAARP CC[N@@H+](Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CC[NH+](C)C1 ZINC000067788547 472089462 /nfs/dbraw/zinc/08/94/62/472089462.db2.gz AYBPXKIKPMHREL-MRXNPFEDSA-N 2 0 339.483 2.721 50 0 EFAARP Cc1cccnc1N1CCN(C(=O)[C@H](C)n2ccnc2C(C)C)CC1 ZINC000067818629 472093789 /nfs/dbraw/zinc/09/37/89/472093789.db2.gz ODOLAHYQJJVANM-INIZCTEOSA-N 2 0 341.459 2.620 50 0 EFAARP Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000067967606 472117617 /nfs/dbraw/zinc/11/76/17/472117617.db2.gz XFDJVWVCBSHNBH-UHFFFAOYSA-N 2 0 339.439 2.648 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000091616281 472783216 /nfs/dbraw/zinc/78/32/16/472783216.db2.gz QKBIOMPANBAIDV-LJQANCHMSA-N 2 0 343.515 2.666 50 0 EFAARP Cc1cc(N2CCN(c3cc(C(C)C)[nH+]c(N)n3)CC2)cc(C)[nH+]1 ZINC000091974220 472835680 /nfs/dbraw/zinc/83/56/80/472835680.db2.gz WDQPBUIHUXTBKU-UHFFFAOYSA-N 2 0 326.448 2.521 50 0 EFAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095368607 473192252 /nfs/dbraw/zinc/19/22/52/473192252.db2.gz YCYOISSABNIQSK-MRXNPFEDSA-N 2 0 330.476 2.573 50 0 EFAARP Cc1c[nH+]ccc1N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095382804 473193757 /nfs/dbraw/zinc/19/37/57/473193757.db2.gz JRNQAUIYJNWLPL-UHFFFAOYSA-N 2 0 327.476 2.922 50 0 EFAARP [NH3+][C@@H]1CCCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000215359694 474138799 /nfs/dbraw/zinc/13/87/99/474138799.db2.gz OBABKBYTMHFRQI-LJQANCHMSA-N 2 0 331.504 2.865 50 0 EFAARP COc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)c(C)c1C ZINC000222856402 474176363 /nfs/dbraw/zinc/17/63/63/474176363.db2.gz KIFQCBRROQPHNC-UHFFFAOYSA-N 2 0 346.515 2.982 50 0 EFAARP O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000534639294 478164893 /nfs/dbraw/zinc/16/48/93/478164893.db2.gz OMTDGGHHSRLRID-KRWDZBQOSA-N 2 0 335.879 2.593 50 0 EFAARP Cc1[nH]c2c(ccc(C)c2C)c1CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000584901945 479276837 /nfs/dbraw/zinc/27/68/37/479276837.db2.gz QFIBEFJNHVTWHJ-INIZCTEOSA-N 2 0 342.531 2.861 50 0 EFAARP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000585136472 479296181 /nfs/dbraw/zinc/29/61/81/479296181.db2.gz HPVHZIIPAZMDRX-ULQDDVLXSA-N 2 0 337.508 2.706 50 0 EFAARP [NH3+][C@H]1C[C@@H](c2cc(N3CCC([NH+]4CCCC4)CC3)nc(C3CC3)n2)C1 ZINC000244795139 527418494 /nfs/dbraw/zinc/41/84/94/527418494.db2.gz RAJJVUVOYFWFKL-IYBDPMFKSA-N 2 0 341.503 2.623 50 0 EFAARP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C[C@H]1O ZINC000216341201 535944377 /nfs/dbraw/zinc/94/43/77/535944377.db2.gz NYXJSCVAOIGFOJ-QFBILLFUSA-N 2 0 332.488 2.752 50 0 EFAARP COc1ccc2ccccc2c1C[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC001772702556 1249285299 /nfs/dbraw/zinc/28/52/99/1249285299.db2.gz WQRWNMIRYUZYMM-UHFFFAOYSA-N 2 0 342.483 2.985 50 0 EFAARP CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC000823110168 1265240271 /nfs/dbraw/zinc/24/02/71/1265240271.db2.gz BYSGGPWSKAACJH-QZTJIDSGSA-N 2 0 347.478 2.781 50 0 EFAARP CCc1nccn1CCCNc1nc(N2CCCC2)[nH+]c(C)c1C ZINC000952873754 1284898909 /nfs/dbraw/zinc/89/89/09/1284898909.db2.gz NYJNEWKQGNEIKV-UHFFFAOYSA-N 2 0 328.464 2.955 50 0 EFAARP C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012718681 1307074140 /nfs/dbraw/zinc/07/41/40/1307074140.db2.gz JZSKSVLQJMXROQ-FQEVSTJZSA-N 2 0 340.467 2.546 50 0 EFAARP C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012718682 1307074501 /nfs/dbraw/zinc/07/45/01/1307074501.db2.gz JZSKSVLQJMXROQ-HXUWFJFHSA-N 2 0 340.467 2.546 50 0 EFAARP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)n1cnc2ccccc21 ZINC000019112628 1314393798 /nfs/dbraw/zinc/39/37/98/1314393798.db2.gz HMMOMFKCWLQBTP-QGZVFWFLSA-N 2 0 342.487 2.642 50 0 EFAARP CCN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001506427901 1405764907 /nfs/dbraw/zinc/76/49/07/1405764907.db2.gz VBOVAFCVXDIWFP-RBUKOAKNSA-N 2 0 335.536 2.975 50 0 EFAARP C[N@H+](Cc1ccsc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023380303 718120367 /nfs/dbraw/zinc/12/03/67/718120367.db2.gz PNOLLSQUMOHEDA-MSOLQXFVSA-N 2 0 328.481 2.917 50 0 EFAARP C[N@@H+]1CCC2(CCN(c3cc[nH+]c4ccccc43)CC2)[C@H](CO)C1 ZINC000097713674 219050270 /nfs/dbraw/zinc/05/02/70/219050270.db2.gz MHERGJYIRBONTO-INIZCTEOSA-N 2 0 325.456 2.765 50 0 EFAARP COc1cc(C)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000097814996 219058867 /nfs/dbraw/zinc/05/88/67/219058867.db2.gz NHUDVYYVLYRZFK-LJQANCHMSA-N 2 0 345.531 2.771 50 0 EFAARP CN1c2ccccc2[C@]2(CCC[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)C1=O ZINC000243914752 283267497 /nfs/dbraw/zinc/26/74/97/283267497.db2.gz BKIYSUMBOPLEQL-GQIGUUNPSA-N 2 0 327.472 2.514 50 0 EFAARP CCCCN(Cc1ccccc1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072143160 216029695 /nfs/dbraw/zinc/02/96/95/216029695.db2.gz KAOQATAIYATTNV-SFHVURJKSA-N 2 0 329.488 2.547 50 0 EFAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000072165847 216055495 /nfs/dbraw/zinc/05/54/95/216055495.db2.gz RSLHXHSTTCUXQG-INIZCTEOSA-N 2 0 346.393 2.864 50 0 EFAARP Cc1cccc(CN(C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)C(C)C)c1 ZINC000072410611 216202454 /nfs/dbraw/zinc/20/24/54/216202454.db2.gz ZLOLTTUZGVGVLQ-IBGZPJMESA-N 2 0 343.515 2.806 50 0 EFAARP Cc1cccc(CN(C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)C(C)C)c1 ZINC000072410612 216203100 /nfs/dbraw/zinc/20/31/00/216203100.db2.gz ZLOLTTUZGVGVLQ-LJQANCHMSA-N 2 0 343.515 2.806 50 0 EFAARP Cc1ccccc1C[NH+]1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072423262 216212305 /nfs/dbraw/zinc/21/23/05/216212305.db2.gz JCJOQIOQQYXWMH-UHFFFAOYSA-N 2 0 345.487 2.734 50 0 EFAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000072432586 216226640 /nfs/dbraw/zinc/22/66/40/216226640.db2.gz XKJBSBNZGMRFKT-PXZIRBJMSA-N 2 0 345.462 2.501 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cccc(C)c1)CC[NH+](C)CC2 ZINC000072473102 216250554 /nfs/dbraw/zinc/25/05/54/216250554.db2.gz NZHIWJIAUQIDIA-IBGZPJMESA-N 2 0 343.515 2.808 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccsc1)CC[NH+](C)CC2 ZINC000072473662 216250611 /nfs/dbraw/zinc/25/06/11/216250611.db2.gz YNDQEQXNYYMWCX-MRXNPFEDSA-N 2 0 335.517 2.561 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cccc(F)c1)CC[NH+](C)CC2 ZINC000072468121 216247675 /nfs/dbraw/zinc/24/76/75/216247675.db2.gz DMVZZICXEIQXLT-SFHVURJKSA-N 2 0 347.478 2.638 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCc1ccco1)CC[NH+](C)CC2 ZINC000072474588 216251861 /nfs/dbraw/zinc/25/18/61/216251861.db2.gz VDGJCMGCTSDLKF-SFHVURJKSA-N 2 0 347.503 2.525 50 0 EFAARP C[C@H](c1cccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)c1)[NH+](C)C ZINC000215337267 241120769 /nfs/dbraw/zinc/12/07/69/241120769.db2.gz MNLDQHHDUAVRFY-GOSISDBHSA-N 3 0 345.531 2.732 50 0 EFAARP Cc1cccnc1C[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019789837 212066773 /nfs/dbraw/zinc/06/67/73/212066773.db2.gz ZGKGRSCABPIYDJ-UXHICEINSA-N 2 0 337.467 2.559 50 0 EFAARP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000426361338 247267456 /nfs/dbraw/zinc/26/74/56/247267456.db2.gz QIKYCNIEOSCQCK-LJQANCHMSA-N 2 0 333.520 2.763 50 0 EFAARP Cn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000012439467 211381826 /nfs/dbraw/zinc/38/18/26/211381826.db2.gz IUFVEGDIWFTQRZ-UHFFFAOYSA-N 2 0 344.478 2.946 50 0 EFAARP COc1ccc(C[NH2+]CC(C)C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012304029 211339756 /nfs/dbraw/zinc/33/97/56/211339756.db2.gz CNINNGCTDRIZAC-KRWDZBQOSA-N 2 0 338.492 2.521 50 0 EFAARP O=C(NCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010279589 211159876 /nfs/dbraw/zinc/15/98/76/211159876.db2.gz DXMWKIWEEQHIDD-UHFFFAOYSA-N 2 0 329.488 2.888 50 0 EFAARP O=C(NCCCC[NH+]1CCCC1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095383234 218315530 /nfs/dbraw/zinc/31/55/30/218315530.db2.gz ZBKCWAJRNDUNIN-IBGZPJMESA-N 2 0 329.488 2.759 50 0 EFAARP [NH3+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000299785249 258092665 /nfs/dbraw/zinc/09/26/65/258092665.db2.gz YKHFHMBTEOKMPM-INIZCTEOSA-N 2 0 344.484 2.993 50 0 EFAARP COc1ccccc1CCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063832693 258062507 /nfs/dbraw/zinc/06/25/07/258062507.db2.gz FTPWCFOLEKDFEF-WOJBJXKFSA-N 2 0 332.488 2.597 50 0 EFAARP Oc1ccccc1N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055309404 132194754 /nfs/dbraw/zinc/19/47/54/132194754.db2.gz DJAOLGXMROIBPA-ZWKOTPCHSA-N 2 0 329.488 2.779 50 0 EFAARP c1ccc2c(c1)C[C@H](C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCO2 ZINC000095528398 275070521 /nfs/dbraw/zinc/07/05/21/275070521.db2.gz UCBCYETYKYOQBX-LJQANCHMSA-N 2 0 344.499 2.672 50 0 EFAARP C[N@@H+]1CCCN(c2ncccc2C[NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000039552541 277052640 /nfs/dbraw/zinc/05/26/40/277052640.db2.gz IXRNBBSEKXLTPY-KRWDZBQOSA-N 2 0 346.519 2.518 50 0 EFAARP CC1(C)CCC[N@@H+]1Cc1cn(C2CC[NH+]([C@@H]3CCSC3)CC2)nn1 ZINC000023379898 278219906 /nfs/dbraw/zinc/21/99/06/278219906.db2.gz KXWQDUIZDOCUDH-QGZVFWFLSA-N 2 0 349.548 2.795 50 0 EFAARP Cc1cc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)cc[nH+]1 ZINC000095524928 473219655 /nfs/dbraw/zinc/21/96/55/473219655.db2.gz WGXJXAWMBBPNIK-UHFFFAOYSA-N 2 0 327.476 2.922 50 0 EFAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012709373 471790626 /nfs/dbraw/zinc/79/06/26/471790626.db2.gz LKAWDWZXBHYGSA-RMKNXTFCSA-N 2 0 343.515 2.870 50 0 EFAARP Cc1cc(N2CC[C@@](O)(C[NH+]3CCCCC3)C2)c2ccccc2[nH+]1 ZINC000077440722 472526905 /nfs/dbraw/zinc/52/69/05/472526905.db2.gz RGQFIYRDTCDICX-HXUWFJFHSA-N 2 0 325.456 2.970 50 0 EFAARP CC(C)[C@H]1CN(C(=O)C2([NH3+])CCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746425 472557902 /nfs/dbraw/zinc/55/79/02/472557902.db2.gz AYCPPSDGRYWLJC-GOSISDBHSA-N 2 0 347.478 2.766 50 0 EFAARP CC(C)[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCC(=O)N1CC1CC1 ZINC000071746547 472558484 /nfs/dbraw/zinc/55/84/84/472558484.db2.gz RZDPOXTVWXAFTC-SFHVURJKSA-N 2 0 335.536 2.687 50 0 EFAARP FC(F)(F)c1cccc(C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000071759145 472562125 /nfs/dbraw/zinc/56/21/25/472562125.db2.gz POHBJJKMJVODQA-QGZVFWFLSA-N 2 0 342.405 2.948 50 0 EFAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000072426566 472662763 /nfs/dbraw/zinc/66/27/63/472662763.db2.gz ZEKFKLFUIAXHLS-IBGZPJMESA-N 2 0 343.515 2.542 50 0 EFAARP CCC[NH+]1CCC([NH+]2CCC(n3cc(CC(C)C)nn3)CC2)CC1 ZINC000048087892 472812365 /nfs/dbraw/zinc/81/23/65/472812365.db2.gz BEJSPMMIXWZOTI-UHFFFAOYSA-N 2 0 333.524 2.988 50 0 EFAARP CCc1cccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000065382696 472929294 /nfs/dbraw/zinc/92/92/94/472929294.db2.gz WFBZEMDVRIFGFB-UHFFFAOYSA-N 2 0 338.455 2.795 50 0 EFAARP COc1ccc(C)cc1[C@@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222199906 474166098 /nfs/dbraw/zinc/16/60/98/474166098.db2.gz URJFYLVZTGSTDM-WMZOPIPTSA-N 2 0 341.455 2.866 50 0 EFAARP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)[nH+]1 ZINC000225219198 474206014 /nfs/dbraw/zinc/20/60/14/474206014.db2.gz ABXUUVIMEUTFIT-HZPDHXFCSA-N 2 0 330.476 2.571 50 0 EFAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000584885748 479271119 /nfs/dbraw/zinc/27/11/19/479271119.db2.gz KFPILLUOIJUVFR-MRXNPFEDSA-N 2 0 344.528 2.578 50 0 EFAARP COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1OCC[NH+]1CCCC1 ZINC000216484005 536752317 /nfs/dbraw/zinc/75/23/17/536752317.db2.gz HBAOSQRCBMHGAM-GOSISDBHSA-N 2 0 348.487 2.517 50 0 EFAARP O[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCCC[NH+]3CCCCC3)C[C@H]12 ZINC001772705676 1249289910 /nfs/dbraw/zinc/28/99/10/1249289910.db2.gz OWUPGDDJYATANN-HSALFYBXSA-N 2 0 344.499 2.754 50 0 EFAARP CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095521262 1292258287 /nfs/dbraw/zinc/25/82/87/1292258287.db2.gz AYTNRYCWXXCPHJ-QGZVFWFLSA-N 2 0 349.494 2.838 50 0 EFAARP CCc1oc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C[NH+](CC)CC ZINC000065534095 1295372066 /nfs/dbraw/zinc/37/20/66/1295372066.db2.gz RUSCHBYGRKYDKQ-CVEARBPZSA-N 2 0 333.476 2.650 50 0 EFAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000002828182 715412448 /nfs/dbraw/zinc/41/24/48/715412448.db2.gz UUKJZLSSISTWPJ-UHFFFAOYSA-N 2 0 337.533 2.727 50 0 EFAARP CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000023338069 718065166 /nfs/dbraw/zinc/06/51/66/718065166.db2.gz PDDADIFYLPLKGE-MRXNPFEDSA-N 2 0 335.517 2.514 50 0 EFAARP CCC1(CC)C[N@@H+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCO1 ZINC000023431759 718180001 /nfs/dbraw/zinc/18/00/01/718180001.db2.gz LKQOENDJUKMJSX-MOPGFXCFSA-N 2 0 344.499 2.614 50 0 EFAARP CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3([NH3+])CCC3)C2)cc1 ZINC000067675074 215180253 /nfs/dbraw/zinc/18/02/53/215180253.db2.gz OFDJCNWRRTWMOL-QGZVFWFLSA-N 2 0 329.488 2.630 50 0 EFAARP [NH3+]C1(C(=O)NCC[C@@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852395 215231877 /nfs/dbraw/zinc/23/18/77/215231877.db2.gz UZDCMWMLXYTMMM-HNNXBMFYSA-N 2 0 341.455 2.642 50 0 EFAARP Cc1cc(N2CCC[N@@H+](C3CCN(C(=O)C(C)C)CC3)CC2)cc[nH+]1 ZINC000067880199 215239111 /nfs/dbraw/zinc/23/91/11/215239111.db2.gz DQNDSJLMHBOUJT-UHFFFAOYSA-N 2 0 344.503 2.549 50 0 EFAARP c1cc(CCN2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)ccn1 ZINC000067919586 215250463 /nfs/dbraw/zinc/25/04/63/215250463.db2.gz ZEBFYPPTCYFMNQ-UHFFFAOYSA-N 2 0 342.531 2.554 50 0 EFAARP c1ccc(CNc2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000067955585 215259224 /nfs/dbraw/zinc/25/92/24/215259224.db2.gz FLPOWZSIWQEGMT-UHFFFAOYSA-N 2 0 337.471 2.664 50 0 EFAARP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039754496 213242162 /nfs/dbraw/zinc/24/21/62/213242162.db2.gz SRUUQOZKSZTOKY-UHFFFAOYSA-N 2 0 343.515 2.891 50 0 EFAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000072140111 216026653 /nfs/dbraw/zinc/02/66/53/216026653.db2.gz HVELCEAWPLQPJJ-IBGZPJMESA-N 2 0 336.451 2.567 50 0 EFAARP CC(C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072163118 216052038 /nfs/dbraw/zinc/05/20/38/216052038.db2.gz DTKRJDUIIAXGSV-IBGZPJMESA-N 2 0 349.494 2.836 50 0 EFAARP COc1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CC[NH+](C)CC2)c(F)c1 ZINC000216374711 241186427 /nfs/dbraw/zinc/18/64/27/241186427.db2.gz QFTRLQADWUJSKH-GOSISDBHSA-N 2 0 349.494 2.826 50 0 EFAARP O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000216488814 241193782 /nfs/dbraw/zinc/19/37/82/241193782.db2.gz CUKDNZJKCKZCRT-IBGZPJMESA-N 2 0 341.499 2.854 50 0 EFAARP C[N@@H+]1CCCCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000244873465 243091811 /nfs/dbraw/zinc/09/18/11/243091811.db2.gz WQWIGBJYPYYLBY-FQEVSTJZSA-N 2 0 343.515 2.684 50 0 EFAARP COc1ccc(C[NH2+]CC(C)C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012304030 211339600 /nfs/dbraw/zinc/33/96/00/211339600.db2.gz CNINNGCTDRIZAC-QGZVFWFLSA-N 2 0 338.492 2.521 50 0 EFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000011661650 211230558 /nfs/dbraw/zinc/23/05/58/211230558.db2.gz CHSRCWZKCNDINC-KRWDZBQOSA-N 2 0 338.492 2.522 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000091780539 218064815 /nfs/dbraw/zinc/06/48/15/218064815.db2.gz KQLLEIODEFWPJI-IBGZPJMESA-N 2 0 343.515 2.666 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000091780537 218065157 /nfs/dbraw/zinc/06/51/57/218065157.db2.gz KQLLEIODEFWPJI-LJQANCHMSA-N 2 0 343.515 2.666 50 0 EFAARP Cc1cc(N2CCCN(C(=O)C[NH+]3CCCCCCC3)CC2)cc[nH+]1 ZINC000091908092 218086873 /nfs/dbraw/zinc/08/68/73/218086873.db2.gz CNKJEKDXBFKLCB-UHFFFAOYSA-N 2 0 344.503 2.695 50 0 EFAARP CCc1[nH+]c(N)nc(NC[C@H]2CCC[N@H+](Cc3ccco3)C2)c1C ZINC000095377931 218309820 /nfs/dbraw/zinc/30/98/20/218309820.db2.gz AXUSTZQPSGRFFT-CQSZACIVSA-N 2 0 329.448 2.847 50 0 EFAARP Cc1ccc2[nH+]ccc(N3CCC([NH+]4CCC(O)CC4)CC3)c2c1 ZINC000095388533 218320575 /nfs/dbraw/zinc/32/05/75/218320575.db2.gz LEWZPHSHSDPTCK-UHFFFAOYSA-N 2 0 325.456 2.969 50 0 EFAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299787383 258094166 /nfs/dbraw/zinc/09/41/66/258094166.db2.gz QKKDCEIJTWGBSO-LJQANCHMSA-N 2 0 343.515 2.641 50 0 EFAARP C[N@@H+]1CCCN(c2ncccc2C[NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000015076053 277052673 /nfs/dbraw/zinc/05/26/73/277052673.db2.gz IXRNBBSEKXLTPY-QGZVFWFLSA-N 2 0 346.519 2.518 50 0 EFAARP CC[N@@H+](Cc1nccs1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095521625 473219145 /nfs/dbraw/zinc/21/91/45/473219145.db2.gz BHEDLUIQVUFPML-UHFFFAOYSA-N 2 0 336.549 2.771 50 0 EFAARP c1ccc(N2CC[NH+](C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000004109112 471459854 /nfs/dbraw/zinc/45/98/54/471459854.db2.gz WCYKXQBBALYJKH-UHFFFAOYSA-N 2 0 336.483 2.868 50 0 EFAARP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012593566 471784213 /nfs/dbraw/zinc/78/42/13/471784213.db2.gz IKZVAEHPADMQHH-LJQANCHMSA-N 2 0 335.536 2.879 50 0 EFAARP COc1ccc(OC)c(-c2nc(CN3CCC[C@@H](C[NH3+])C3)c(C)o2)c1 ZINC000067447010 472034580 /nfs/dbraw/zinc/03/45/80/472034580.db2.gz KXDXYLMTAPVXRM-AWEZNQCLSA-N 2 0 345.443 2.838 50 0 EFAARP CC(C)(C[NH2+]CCCC[NH+]1CCCCCC1)CN1CCOCC1 ZINC000032534795 472441673 /nfs/dbraw/zinc/44/16/73/472441673.db2.gz IYAKETNOCMPVEP-UHFFFAOYSA-N 2 0 325.541 2.591 50 0 EFAARP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)c1 ZINC000077407075 472521723 /nfs/dbraw/zinc/52/17/23/472521723.db2.gz JXIQKESGMZTWSR-IBGZPJMESA-N 2 0 329.488 2.555 50 0 EFAARP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(N(C)C)nc2)CC1 ZINC000077407064 472522107 /nfs/dbraw/zinc/52/21/07/472522107.db2.gz OMKIGVKTIGEGAG-UHFFFAOYSA-N 2 0 325.460 2.563 50 0 EFAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000072447731 472664813 /nfs/dbraw/zinc/66/48/13/472664813.db2.gz ITSLYGAHFSPQHJ-DOTOQJQBSA-N 2 0 335.879 2.502 50 0 EFAARP COc1cc(CN2CCSCC2)ccc1OCC[NH+]1CCCC1 ZINC000215702517 474137782 /nfs/dbraw/zinc/13/77/82/474137782.db2.gz WMSHCGXYSDXTPF-UHFFFAOYSA-N 2 0 336.501 2.719 50 0 EFAARP COCc1nc(NCC2([NH+](C)C)CCCCC2)cc(C2CC([NH3+])C2)n1 ZINC000222430236 474169499 /nfs/dbraw/zinc/16/94/99/474169499.db2.gz WYKQTJQKXHEYSS-UHFFFAOYSA-N 2 0 347.507 2.504 50 0 EFAARP Cn1ccc2cc(C[NH+]3CCC(CO)(C[NH+]4CCCC4)CC3)ccc21 ZINC000223697143 474188671 /nfs/dbraw/zinc/18/86/71/474188671.db2.gz CSZAFIQJDFGONE-UHFFFAOYSA-N 2 0 341.499 2.849 50 0 EFAARP CN(Cc1ccccc1OCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000230478034 474260967 /nfs/dbraw/zinc/26/09/67/474260967.db2.gz XOROPVPVERVJDI-IBGZPJMESA-N 2 0 331.504 2.687 50 0 EFAARP C[NH+](C)CCOC1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000215113453 535892504 /nfs/dbraw/zinc/89/25/04/535892504.db2.gz LHYZZSMGLZENOX-UHFFFAOYSA-N 2 0 346.450 2.758 50 0 EFAARP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160671 536449828 /nfs/dbraw/zinc/44/98/28/536449828.db2.gz ZWYAKSNNZKQWON-HXUWFJFHSA-N 2 0 345.531 2.551 50 0 EFAARP CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1F ZINC000823110169 1265239750 /nfs/dbraw/zinc/23/97/50/1265239750.db2.gz BYSGGPWSKAACJH-ROUUACIJSA-N 2 0 347.478 2.781 50 0 EFAARP CC[C@H](C)Sc1ncc(C[NH2+]CCNc2cc[nH+]cc2C)cn1 ZINC000952971582 1284941901 /nfs/dbraw/zinc/94/19/01/1284941901.db2.gz OTXMACCLRUQCPY-AWEZNQCLSA-N 2 0 331.489 2.694 50 0 EFAARP CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC001506418776 1405759780 /nfs/dbraw/zinc/75/97/80/1405759780.db2.gz SVGOWNYMUUKWEV-FQEVSTJZSA-N 2 0 335.536 2.831 50 0 EFAARP C[N@H+](C(C1CC1)C1CC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023251673 717804864 /nfs/dbraw/zinc/80/48/64/717804864.db2.gz YEBAJZUGZCEMHT-UXHICEINSA-N 2 0 326.484 2.844 50 0 EFAARP Cc1cc(N2CCN(Cc3cc(C[NH+](C)C)cs3)CC2)cc[nH+]1 ZINC000097711694 219049243 /nfs/dbraw/zinc/04/92/43/219049243.db2.gz FZIMNKDLYLVHNS-UHFFFAOYSA-N 2 0 330.501 2.835 50 0 EFAARP C[N@H+](CCc1ccccc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000097730299 219052480 /nfs/dbraw/zinc/05/24/80/219052480.db2.gz RWUOTMIYOFKWNL-RTWAWAEBSA-N 2 0 336.479 2.898 50 0 EFAARP Cc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000004700019 210251237 /nfs/dbraw/zinc/25/12/37/210251237.db2.gz LSXJCNLNLKGTPT-UHFFFAOYSA-N 2 0 345.531 2.911 50 0 EFAARP O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)C2 ZINC000097819666 219058874 /nfs/dbraw/zinc/05/88/74/219058874.db2.gz LRXIGEANVOVRQB-CVEARBPZSA-N 2 0 347.528 2.835 50 0 EFAARP C[C@@H](c1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1)[NH+](C)C ZINC000102160992 219188071 /nfs/dbraw/zinc/18/80/71/219188071.db2.gz KGTFFGSMGSOARF-KCUHQSDYSA-N 2 0 341.499 2.609 50 0 EFAARP c1ccc(-c2nc3ncccn3c2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067690498 215185924 /nfs/dbraw/zinc/18/59/24/215185924.db2.gz CYECYXLOEZWUAH-UHFFFAOYSA-N 2 0 347.466 2.972 50 0 EFAARP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCC3)C2)cc1C ZINC000067947113 215256106 /nfs/dbraw/zinc/25/61/06/215256106.db2.gz BBSMJSJOJIEBNM-GOSISDBHSA-N 2 0 329.488 2.513 50 0 EFAARP Cc1nc(NCCC23CCC[NH+]2CCC3)cc(C2CC[NH2+]CC2)n1 ZINC000071278897 215749544 /nfs/dbraw/zinc/74/95/44/215749544.db2.gz LDOYXDKSWZJESY-UHFFFAOYSA-N 2 0 329.492 2.682 50 0 EFAARP C[C@@H](C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072474375 216251439 /nfs/dbraw/zinc/25/14/39/216251439.db2.gz JYQXICLNMHOWIS-AWEZNQCLSA-N 2 0 338.879 2.978 50 0 EFAARP C[NH+](C)CCN1CC2(CC[NH+](C/C=C/c3ccccc3)CC2)OC1=O ZINC000072476396 216254666 /nfs/dbraw/zinc/25/46/66/216254666.db2.gz IZORRWKGABOECP-RMKNXTFCSA-N 2 0 343.471 2.548 50 0 EFAARP COc1cc(C[N@@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)ccc1F ZINC000023359028 212371373 /nfs/dbraw/zinc/37/13/73/212371373.db2.gz MUTZWEYDIQCRFR-QGZVFWFLSA-N 2 0 337.483 2.682 50 0 EFAARP c1nnc([C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)[nH]1 ZINC000216152062 241169576 /nfs/dbraw/zinc/16/95/76/241169576.db2.gz JYIOERUGCSFNSF-HNNXBMFYSA-N 2 0 331.489 2.842 50 0 EFAARP c1nnc([C@@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)[nH]1 ZINC000216152108 241171642 /nfs/dbraw/zinc/17/16/42/241171642.db2.gz JYIOERUGCSFNSF-OAHLLOKOSA-N 2 0 331.489 2.842 50 0 EFAARP C[C@H]1CCC[N@H+](CCCOc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000216471564 241193586 /nfs/dbraw/zinc/19/35/86/241193586.db2.gz QRHDGXPUOKGNPX-IBGZPJMESA-N 2 0 345.531 2.935 50 0 EFAARP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000020166473 212108234 /nfs/dbraw/zinc/10/82/34/212108234.db2.gz YMMMZWYEPQOUOK-FQEVSTJZSA-N 2 0 339.487 2.549 50 0 EFAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100353 212100749 /nfs/dbraw/zinc/10/07/49/212100749.db2.gz HQSYRJLHUCEGSN-UHFFFAOYSA-N 2 0 337.895 2.620 50 0 EFAARP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC1 ZINC000081256465 217374610 /nfs/dbraw/zinc/37/46/10/217374610.db2.gz NWXDDDGXRUDCQD-UHFFFAOYSA-N 2 0 349.544 2.903 50 0 EFAARP Cn1cc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)cn1 ZINC000012465499 211390881 /nfs/dbraw/zinc/39/08/81/211390881.db2.gz RKFHVLJLWSHXSP-UHFFFAOYSA-N 2 0 326.488 2.807 50 0 EFAARP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc3cc(OC)ccc3c2)C[C@@H]1CO ZINC000091691330 218048099 /nfs/dbraw/zinc/04/80/99/218048099.db2.gz YQOJNPSWLVCAML-WOJBJXKFSA-N 2 0 342.483 2.840 50 0 EFAARP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000095372675 218305443 /nfs/dbraw/zinc/30/54/43/218305443.db2.gz FRMVUMUKGFNZFH-IBGZPJMESA-N 2 0 329.488 2.773 50 0 EFAARP c1nnc(C2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)[nH]1 ZINC000097413362 219022428 /nfs/dbraw/zinc/02/24/28/219022428.db2.gz CZGMUZOXPIRMDQ-UHFFFAOYSA-N 2 0 331.489 2.842 50 0 EFAARP O=C([C@H]1CCC[NH2+]CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000299786919 258093622 /nfs/dbraw/zinc/09/36/22/258093622.db2.gz YFWCBFLLUKRKDR-FQEVSTJZSA-N 2 0 343.515 2.543 50 0 EFAARP c1cncc(OC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CCO4)CC2)c1 ZINC000299803158 258105910 /nfs/dbraw/zinc/10/59/10/258105910.db2.gz YNKAKEHMVXBXBF-UHFFFAOYSA-N 2 0 339.439 2.607 50 0 EFAARP CN1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC12CC[NH2+]CC2 ZINC000097446965 277052157 /nfs/dbraw/zinc/05/21/57/277052157.db2.gz DTXQCHUIZQMUKY-UHFFFAOYSA-N 2 0 341.421 2.965 50 0 EFAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2ccsc2)CC3)C1 ZINC000095516440 473218027 /nfs/dbraw/zinc/21/80/27/473218027.db2.gz JHGXPDKUIZULGS-QGZVFWFLSA-N 2 0 347.528 2.657 50 0 EFAARP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH+]1CCCCC1 ZINC000000034477 471319015 /nfs/dbraw/zinc/31/90/15/471319015.db2.gz WZCDPAZKCMKDCJ-IEBWSBKVSA-N 2 0 327.472 2.615 50 0 EFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212638 471336083 /nfs/dbraw/zinc/33/60/83/471336083.db2.gz VBMZEGHPTUQKPQ-SFHVURJKSA-N 2 0 335.536 2.975 50 0 EFAARP C[n+]1ccc(-c2nc3sc(-c4cc[n+](C)cc4)nc3s2)cc1 ZINC000002519611 471409546 /nfs/dbraw/zinc/40/95/46/471409546.db2.gz DIDMSLJGTBRFMR-UHFFFAOYSA-N 2 0 326.450 2.736 50 0 EFAARP CC[C@@H](C[NH2+]C1CCN(c2ccccc2C)CC1)N1CC[NH+](C)CC1 ZINC000067866789 472100715 /nfs/dbraw/zinc/10/07/15/472100715.db2.gz UWZKDDKKXYMKBN-FQEVSTJZSA-N 2 0 344.547 2.579 50 0 EFAARP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200685 472477050 /nfs/dbraw/zinc/47/70/50/472477050.db2.gz NXEQFEGQGPAIIH-KRWDZBQOSA-N 2 0 330.476 2.526 50 0 EFAARP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)[nH+]1 ZINC000097200854 472478046 /nfs/dbraw/zinc/47/80/46/472478046.db2.gz WEKSRHUGIRJBSV-QGZVFWFLSA-N 2 0 330.476 2.526 50 0 EFAARP C[C@@H](C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1)[NH+](C)C ZINC000077425660 472525704 /nfs/dbraw/zinc/52/57/04/472525704.db2.gz RYWXGQOJRITUJV-SFHVURJKSA-N 2 0 345.531 2.681 50 0 EFAARP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745393 472556768 /nfs/dbraw/zinc/55/67/68/472556768.db2.gz VHQKLPALLBOTKU-FQEVSTJZSA-N 2 0 343.515 2.841 50 0 EFAARP CC(C)[C@@H]1CN(C(=O)C(C)(C)[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749395 472559026 /nfs/dbraw/zinc/55/90/26/472559026.db2.gz YESOJBFCJLVLQL-KRWDZBQOSA-N 2 0 335.467 2.622 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000091365187 472760473 /nfs/dbraw/zinc/76/04/73/472760473.db2.gz NTRMEDNYACUBLZ-GOSISDBHSA-N 2 0 343.515 2.842 50 0 EFAARP C[NH2+]CCCC[NH2+]C1CCN(c2cccc(-c3cnco3)c2)CC1 ZINC000063857795 472821556 /nfs/dbraw/zinc/82/15/56/472821556.db2.gz KRYHCSATKDYNAO-UHFFFAOYSA-N 2 0 328.460 2.900 50 0 EFAARP CCc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N(C)C)[nH+]1 ZINC000065380348 472930452 /nfs/dbraw/zinc/93/04/52/472930452.db2.gz IXNHMWMSNVIJMV-UHFFFAOYSA-N 2 0 340.475 2.577 50 0 EFAARP C[NH+]1CCC(N2CCN(Cc3cc(F)ccc3Cl)CC2)CC1 ZINC000215942318 474139590 /nfs/dbraw/zinc/13/95/90/474139590.db2.gz KDSFELICDZANKL-UHFFFAOYSA-N 2 0 325.859 2.691 50 0 EFAARP COc1ccc(F)cc1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220114180 474153375 /nfs/dbraw/zinc/15/33/75/474153375.db2.gz SPCZTXHOMOZRJO-UHFFFAOYSA-N 2 0 336.451 2.505 50 0 EFAARP COc1ccc(C)cc1[C@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222199958 474166169 /nfs/dbraw/zinc/16/61/69/474166169.db2.gz URJFYLVZTGSTDM-FUHWJXTLSA-N 2 0 341.455 2.866 50 0 EFAARP [NH3+]C1CC(c2cc(N3CC[NH+](C4CCCC4)CC3)nc(C3CC3)n2)C1 ZINC000223874050 474191798 /nfs/dbraw/zinc/19/17/98/474191798.db2.gz VWQUBNMXHBMRQV-UHFFFAOYSA-N 2 0 341.503 2.623 50 0 EFAARP Cc1ccc(CN(C)CC(=O)N[C@H](c2nccn2C)C(C)C)cc1 ZINC000252496822 474680086 /nfs/dbraw/zinc/68/00/86/474680086.db2.gz PSKHULBMMGZWHA-SFHVURJKSA-N 2 0 328.460 2.674 50 0 EFAARP Cn1c(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nnc1C1CC[NH2+]CC1 ZINC000426627839 477729748 /nfs/dbraw/zinc/72/97/48/477729748.db2.gz SUYBHCQDLHTHBL-JKSUJKDBSA-N 2 0 349.548 2.639 50 0 EFAARP COc1ccc2c(c1)CC[C@H]([NH2+]CCCOC1CC[NH+](C)CC1)C2 ZINC000534656646 478166938 /nfs/dbraw/zinc/16/69/38/478166938.db2.gz TVIBPKPABNPDOT-SFHVURJKSA-N 2 0 332.488 2.643 50 0 EFAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000584885747 479270680 /nfs/dbraw/zinc/27/06/80/479270680.db2.gz KFPILLUOIJUVFR-INIZCTEOSA-N 2 0 344.528 2.578 50 0 EFAARP COc1cc(C)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)c(C)c1C ZINC000215825447 536570365 /nfs/dbraw/zinc/57/03/65/536570365.db2.gz QGQHXQDBBLFJAS-UHFFFAOYSA-N 2 0 333.520 2.690 50 0 EFAARP COc1ccc(CN2CCC[N@H+](C)C[C@H]2C)cc1C[NH+]1CCCC1 ZINC000216281199 545559373 /nfs/dbraw/zinc/55/93/73/545559373.db2.gz WJZTVUNWRSNRMV-QGZVFWFLSA-N 2 0 331.504 2.817 50 0 EFAARP C[NH+](C)CC1(CO)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001772708406 1249295291 /nfs/dbraw/zinc/29/52/91/1249295291.db2.gz BRHIPUANAZCTOU-UHFFFAOYSA-N 2 0 330.394 2.842 50 0 EFAARP COCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824413170 1266888632 /nfs/dbraw/zinc/88/86/32/1266888632.db2.gz QEVSNRTUIYSHMS-GOSISDBHSA-N 2 0 345.487 2.579 50 0 EFAARP Cn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000012570280 1273493105 /nfs/dbraw/zinc/49/31/05/1273493105.db2.gz TWUZNMSRLRNQNU-UHFFFAOYSA-N 2 0 344.478 2.946 50 0 EFAARP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952860183 1284878375 /nfs/dbraw/zinc/87/83/75/1284878375.db2.gz HJHBYTXYINOHKI-QGZVFWFLSA-N 2 0 333.520 2.870 50 0 EFAARP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cc(O)ccc3c2)C1 ZINC000952985751 1284986159 /nfs/dbraw/zinc/98/61/59/1284986159.db2.gz CSCJQQOJGAAVHU-QGZVFWFLSA-N 2 0 328.456 2.993 50 0 EFAARP CN(Cc1ccccc1C[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095375472 1292096498 /nfs/dbraw/zinc/09/64/98/1292096498.db2.gz JPISPWQCPMTKCL-IBGZPJMESA-N 2 0 331.504 2.971 50 0 EFAARP O=C1CC[N@H+](C/C=C/c2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000015002130 1311437905 /nfs/dbraw/zinc/43/79/05/1311437905.db2.gz OMUKUSXPEDFLIY-JXMROGBWSA-N 2 0 341.499 2.720 50 0 EFAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015075651 1311470988 /nfs/dbraw/zinc/47/09/88/1311470988.db2.gz SPUBKSTXINGBEP-KRWDZBQOSA-N 2 0 333.520 2.632 50 0 EFAARP Cc1cc(NCC(C)(C)[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC001506415926 1405759099 /nfs/dbraw/zinc/75/90/99/1405759099.db2.gz RJLJLENAKXOGRN-UHFFFAOYSA-N 2 0 330.451 2.542 50 0 EFAARP O=C(CC[NH+]1CCCC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC001506416585 1405759522 /nfs/dbraw/zinc/75/95/22/1405759522.db2.gz WZKUJRASCJILGQ-UHFFFAOYSA-N 2 0 345.531 2.585 50 0 EFAARP c1coc(C[NH+]2CCC(N3CC[NH2+][C@H](c4ccccc4)C3)CC2)c1 ZINC001506429171 1405765563 /nfs/dbraw/zinc/76/55/63/1405765563.db2.gz VYLDMAXQGXXHHC-FQEVSTJZSA-N 2 0 325.456 2.891 50 0 EFAARP c1cc(CN2CCC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)CC2)ccn1 ZINC000067473277 215151842 /nfs/dbraw/zinc/15/18/42/215151842.db2.gz TXLIHXBQHGRAIE-UHFFFAOYSA-N 2 0 342.531 2.902 50 0 EFAARP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000067490904 215155049 /nfs/dbraw/zinc/15/50/49/215155049.db2.gz PKLUVFXBAIEZPC-HXUWFJFHSA-N 2 0 325.456 2.720 50 0 EFAARP CC[C@H](c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1)[NH+]1CCCC1 ZINC000020481185 202044049 /nfs/dbraw/zinc/04/40/49/202044049.db2.gz FVEUMSXYNBEFJY-OAHLLOKOSA-N 2 0 327.432 2.633 50 0 EFAARP COc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc1C ZINC000072433035 216226375 /nfs/dbraw/zinc/22/63/75/216226375.db2.gz JESOJDXPMHHJET-QGZVFWFLSA-N 2 0 332.488 2.936 50 0 EFAARP COc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc1C ZINC000072433036 216227020 /nfs/dbraw/zinc/22/70/20/216227020.db2.gz JESOJDXPMHHJET-KRWDZBQOSA-N 2 0 332.488 2.936 50 0 EFAARP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCCN3C)c(F)c1F ZINC000215257690 241114867 /nfs/dbraw/zinc/11/48/67/241114867.db2.gz PXCGGRHNDDGVIP-UHFFFAOYSA-N 2 0 337.458 2.875 50 0 EFAARP Cc1ccc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244774250 243078547 /nfs/dbraw/zinc/07/85/47/243078547.db2.gz PQOHWCKFMBXKQP-KRWDZBQOSA-N 2 0 329.488 2.556 50 0 EFAARP O=C(NCC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000067842356 202939263 /nfs/dbraw/zinc/93/92/63/202939263.db2.gz YYLDMWJAILONOZ-KRWDZBQOSA-N 2 0 335.536 2.927 50 0 EFAARP CC(C)[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCC(=O)N1CC1CC1 ZINC000071746548 203105197 /nfs/dbraw/zinc/10/51/97/203105197.db2.gz RZDPOXTVWXAFTC-GOSISDBHSA-N 2 0 335.536 2.687 50 0 EFAARP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000072117416 203163523 /nfs/dbraw/zinc/16/35/23/203163523.db2.gz IHLXMKSJAKLBCT-UHFFFAOYSA-N 2 0 343.515 2.747 50 0 EFAARP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072135232 203166898 /nfs/dbraw/zinc/16/68/98/203166898.db2.gz VLJXWSAYQIPGQS-HXUWFJFHSA-N 2 0 329.488 2.940 50 0 EFAARP O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072162847 203178003 /nfs/dbraw/zinc/17/80/03/203178003.db2.gz PDPBDMCICRJZTG-IBGZPJMESA-N 2 0 349.478 2.624 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072435235 203224785 /nfs/dbraw/zinc/22/47/85/203224785.db2.gz LMZFWSAJKPNMGJ-LJQANCHMSA-N 2 0 343.515 2.808 50 0 EFAARP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000072437018 203224881 /nfs/dbraw/zinc/22/48/81/203224881.db2.gz BMFCPPAZPLXHSJ-SFHVURJKSA-N 2 0 343.515 2.747 50 0 EFAARP Cc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000072425614 203221622 /nfs/dbraw/zinc/22/16/22/203221622.db2.gz HAZNPCJMLGGPKM-AZUAARDMSA-N 3 0 328.504 2.777 50 0 EFAARP C[C@@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077322855 203379354 /nfs/dbraw/zinc/37/93/54/203379354.db2.gz DRHXULVGEOYPRL-SFHVURJKSA-N 2 0 343.515 2.841 50 0 EFAARP Clc1ccc(N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1Cl ZINC000102835176 204051882 /nfs/dbraw/zinc/05/18/82/204051882.db2.gz DTPUBQPPEUNGNH-WDNDVIMCSA-N 2 0 326.271 2.581 50 0 EFAARP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000426361304 247267182 /nfs/dbraw/zinc/26/71/82/247267182.db2.gz QIKYCNIEOSCQCK-IBGZPJMESA-N 2 0 333.520 2.763 50 0 EFAARP CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC3CC[NH2+]CC3)c2)C1 ZINC000299766626 258081282 /nfs/dbraw/zinc/08/12/82/258081282.db2.gz DQXUKXJSHCKANF-KRWDZBQOSA-N 2 0 346.471 2.593 50 0 EFAARP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH+]1CCCCC1 ZINC000005969558 292355664 /nfs/dbraw/zinc/35/56/64/292355664.db2.gz WZCDPAZKCMKDCJ-PKOBYXMFSA-N 2 0 327.472 2.615 50 0 EFAARP OC1CC[NH+](C2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000095525378 473220055 /nfs/dbraw/zinc/22/00/55/473220055.db2.gz RTJUYZGOQQETCF-KRWDZBQOSA-N 2 0 344.499 2.549 50 0 EFAARP COc1cc2c(cc1OCCC[NH+]1CCCC1)NC(=[NH2+])C21CCC1 ZINC000095921314 473224645 /nfs/dbraw/zinc/22/46/45/473224645.db2.gz BKCDJTRMYWSXMC-UHFFFAOYSA-N 2 0 329.444 2.984 50 0 in-vitro EFAARP COc1ccc(-n2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2C)cc1 ZINC000067559327 472049793 /nfs/dbraw/zinc/04/97/93/472049793.db2.gz UZCMIHISFWACIU-UHFFFAOYSA-N 2 0 340.471 2.765 50 0 EFAARP CCn1c(C)nnc1SCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067965515 472116634 /nfs/dbraw/zinc/11/66/34/472116634.db2.gz GJVWUXOHFPPIMU-UHFFFAOYSA-N 2 0 337.537 2.601 50 0 EFAARP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000063769917 472812739 /nfs/dbraw/zinc/81/27/39/472812739.db2.gz BMFCPPAZPLXHSJ-GOSISDBHSA-N 2 0 343.515 2.747 50 0 EFAARP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000065363747 472926822 /nfs/dbraw/zinc/92/68/22/472926822.db2.gz WPROVRBVBILMHU-UHFFFAOYSA-N 2 0 349.906 2.762 50 0 EFAARP Cc1ccc(C2(C[N@H+](C)Cc3cccc(O)c3)CC[NH2+]CC2)nc1 ZINC000065371461 472927812 /nfs/dbraw/zinc/92/78/12/472927812.db2.gz GUCQTLJAHLRJRU-UHFFFAOYSA-N 2 0 325.456 2.849 50 0 EFAARP CC[NH+](CC)Cc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)o1 ZINC000065495746 472956547 /nfs/dbraw/zinc/95/65/47/472956547.db2.gz PFJWEFMYSFGWKJ-UHFFFAOYSA-N 2 0 347.503 2.988 50 0 EFAARP Cc1cc[nH+]c(NCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000095380554 473193861 /nfs/dbraw/zinc/19/38/61/473193861.db2.gz VFGGYNDFKMMLMK-GOSISDBHSA-N 2 0 338.455 2.699 50 0 EFAARP C[NH+]1CCN(CCOc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000219883431 474149285 /nfs/dbraw/zinc/14/92/85/474149285.db2.gz GIVQQUTZVXUDLQ-UHFFFAOYSA-N 2 0 331.504 2.689 50 0 EFAARP CC1(C)CC([NH2+][C@@H]2COCC[C@H]2OCc2ccccn2)CC(C)(C)[NH2+]1 ZINC000222257217 474167440 /nfs/dbraw/zinc/16/74/40/474167440.db2.gz YXUYHTBVKYMXEB-QZTJIDSGSA-N 2 0 347.503 2.655 50 0 EFAARP [NH3+]C1CC(c2cc(N3CCC([NH+]4CCCCCC4)CC3)ncn2)C1 ZINC000223633896 474188382 /nfs/dbraw/zinc/18/83/82/474188382.db2.gz PZLQEYNLRSLYSL-UHFFFAOYSA-N 2 0 329.492 2.526 50 0 EFAARP [NH3+][C@H]1C[C@@H](c2cc(NCC3CC[NH+](C4CCCC4)CC3)ncn2)C1 ZINC000252548756 474696114 /nfs/dbraw/zinc/69/61/14/474696114.db2.gz QKCGDGROLNCGHG-IYBDPMFKSA-N 2 0 329.492 2.748 50 0 EFAARP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426521196 477714338 /nfs/dbraw/zinc/71/43/38/477714338.db2.gz HYASAHLRNWTYRI-UHFFFAOYSA-N 2 0 326.444 2.648 50 0 EFAARP Cc1cc(F)ccc1N1CCC([N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)CC1 ZINC000426705682 477740503 /nfs/dbraw/zinc/74/05/03/477740503.db2.gz KFAOZUWYUNEWTA-TZRIAGMCSA-N 2 0 329.463 2.785 50 0 EFAARP Cc1[nH]c2c(ccc(C)c2C)c1CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000584901946 479277150 /nfs/dbraw/zinc/27/71/50/479277150.db2.gz QFIBEFJNHVTWHJ-MRXNPFEDSA-N 2 0 342.531 2.861 50 0 EFAARP COc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1OCC[NH+]1CCCC1 ZINC000216483963 536756595 /nfs/dbraw/zinc/75/65/95/536756595.db2.gz HBAOSQRCBMHGAM-SFHVURJKSA-N 2 0 348.487 2.517 50 0 EFAARP O[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000670461072 547494143 /nfs/dbraw/zinc/49/41/43/547494143.db2.gz YOVOQGMYWBOVQU-LJQANCHMSA-N 2 0 332.488 2.898 50 0 EFAARP O[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000670461071 547494463 /nfs/dbraw/zinc/49/44/63/547494463.db2.gz YOVOQGMYWBOVQU-IBGZPJMESA-N 2 0 332.488 2.898 50 0 EFAARP CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC000823110167 1265240164 /nfs/dbraw/zinc/24/01/64/1265240164.db2.gz BYSGGPWSKAACJH-MSOLQXFVSA-N 2 0 347.478 2.781 50 0 EFAARP Cc1c[nH+]ccc1NCC[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000825253277 1267045033 /nfs/dbraw/zinc/04/50/33/1267045033.db2.gz GAIUCSGNBKQIKY-UHFFFAOYSA-N 2 0 346.425 2.761 50 0 EFAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015075649 1311470595 /nfs/dbraw/zinc/47/05/95/1311470595.db2.gz SPUBKSTXINGBEP-QGZVFWFLSA-N 2 0 333.520 2.632 50 0 EFAARP Cc1cccc(N2CCC([NH2+][C@H]3COC4(C3)CC[NH2+]CC4)CC2)c1C ZINC001506410423 1405756354 /nfs/dbraw/zinc/75/63/54/1405756354.db2.gz TZBCDALYBVCQSN-LJQANCHMSA-N 2 0 343.515 2.773 50 0 EFAARP Cc1cc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC001704310018 1417903316 /nfs/dbraw/zinc/90/33/16/1417903316.db2.gz WGCJYPGMNBJIGN-WOJBJXKFSA-N 2 0 325.456 2.826 50 0 EFAARP OC[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055341921 214310361 /nfs/dbraw/zinc/31/03/61/214310361.db2.gz KARZKHGEZFXXTA-GOSISDBHSA-N 2 0 346.450 2.542 50 0 EFAARP CCc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](CC)CC)CC2)cc1 ZINC000004560047 210220312 /nfs/dbraw/zinc/22/03/12/210220312.db2.gz SGPRALNRGBCJOH-UHFFFAOYSA-N 2 0 345.531 2.919 50 0 EFAARP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000067601757 215166456 /nfs/dbraw/zinc/16/64/56/215166456.db2.gz QJJZHBSENGKHKP-UHFFFAOYSA-N 2 0 349.906 2.762 50 0 EFAARP Cc1occc1C(=O)NC[C@@H]1CC[N@@H+](CC2CC[NH+](C(C)C)CC2)C1 ZINC000067675671 215181856 /nfs/dbraw/zinc/18/18/56/215181856.db2.gz OWWVLIWDANYTQK-SFHVURJKSA-N 2 0 347.503 2.760 50 0 EFAARP COc1ccc(OC)c(-c2nc(C[NH+]3CCC(C[NH3+])CC3)c(C)o2)c1 ZINC000067774308 215209618 /nfs/dbraw/zinc/20/96/18/215209618.db2.gz XAAJFAKKSRSPDX-UHFFFAOYSA-N 2 0 345.443 2.838 50 0 EFAARP [NH3+]C1(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852393 215231298 /nfs/dbraw/zinc/23/12/98/215231298.db2.gz UZDCMWMLXYTMMM-OAHLLOKOSA-N 2 0 341.455 2.642 50 0 EFAARP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)cc1C ZINC000067947114 215256575 /nfs/dbraw/zinc/25/65/75/215256575.db2.gz BBSMJSJOJIEBNM-SFHVURJKSA-N 2 0 329.488 2.513 50 0 EFAARP CN(Cc1cc2n(n1)CC[NH2+]C2)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072143356 216029400 /nfs/dbraw/zinc/02/94/00/216029400.db2.gz LZYMHNCCLVTBTD-UHFFFAOYSA-N 2 0 345.535 2.607 50 0 EFAARP C[C@@H](c1cccc(CN2CCC([NH+]3CCC(O)CC3)CC2)c1)[NH+](C)C ZINC000072417927 216206532 /nfs/dbraw/zinc/20/65/32/216206532.db2.gz VJUDUABBVOXUIL-KRWDZBQOSA-N 2 0 345.531 2.730 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccccc1C)CC[NH+](C)CC2 ZINC000072410853 216202266 /nfs/dbraw/zinc/20/22/66/216202266.db2.gz JWTHLSJMLPWOQB-IBGZPJMESA-N 2 0 343.515 2.808 50 0 EFAARP OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000072425092 216214994 /nfs/dbraw/zinc/21/49/94/216214994.db2.gz BXBKMNGCSZSAIB-CQSZACIVSA-N 2 0 342.405 2.988 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072435238 216229183 /nfs/dbraw/zinc/22/91/83/216229183.db2.gz LMZFWSAJKPNMGJ-IBGZPJMESA-N 2 0 343.515 2.808 50 0 EFAARP C[C@H](C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072474376 216251831 /nfs/dbraw/zinc/25/18/31/216251831.db2.gz JYQXICLNMHOWIS-CQSZACIVSA-N 2 0 338.879 2.978 50 0 EFAARP O=C(NCCCC[NH+]1CCCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000214983035 241098883 /nfs/dbraw/zinc/09/88/83/241098883.db2.gz NDEIZQSBYQWFSN-IBGZPJMESA-N 2 0 329.488 2.759 50 0 EFAARP COC[C@@H]1CC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000215166932 241110937 /nfs/dbraw/zinc/11/09/37/241110937.db2.gz OITVEIKJGGMAHW-LJQANCHMSA-N 2 0 345.531 2.519 50 0 EFAARP COC[C@H]1CC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000215166885 241112351 /nfs/dbraw/zinc/11/23/51/241112351.db2.gz OITVEIKJGGMAHW-IBGZPJMESA-N 2 0 345.531 2.519 50 0 EFAARP Cc1cc(C[N@H+]2CCCC[C@@H]2C)c(C)c(C[NH+]2CCNC(=O)CC2)c1 ZINC000215729897 241141105 /nfs/dbraw/zinc/14/11/05/241141105.db2.gz PFATYNAPYKJEBS-KRWDZBQOSA-N 2 0 343.515 3.000 50 0 EFAARP CN1CCC[N@H+](C)CC12CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC000216445425 241192791 /nfs/dbraw/zinc/19/27/91/241192791.db2.gz SWSQCBRGQLSQEY-UHFFFAOYSA-N 2 0 326.488 2.770 50 0 EFAARP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000215627989 241136664 /nfs/dbraw/zinc/13/66/64/241136664.db2.gz CMWYXONOEFZPJC-IBGZPJMESA-N 2 0 341.499 2.854 50 0 EFAARP C[NH+](C)CCOc1ccccc1C[NH+]1CCC(Cn2ccnc2)CC1 ZINC000215644610 241137535 /nfs/dbraw/zinc/13/75/35/241137535.db2.gz LVJJYOLNPYOSBC-UHFFFAOYSA-N 2 0 342.487 2.736 50 0 EFAARP COc1ccc(CN2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)c(F)c1 ZINC000020869180 212180248 /nfs/dbraw/zinc/18/02/48/212180248.db2.gz CHFFWSZTXRMNRO-QGZVFWFLSA-N 2 0 337.483 2.682 50 0 EFAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000011951773 211274805 /nfs/dbraw/zinc/27/48/05/211274805.db2.gz OQZOEXRWOKWOSR-MRXNPFEDSA-N 2 0 333.520 2.774 50 0 EFAARP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092099744 218119322 /nfs/dbraw/zinc/11/93/22/218119322.db2.gz SGZXKYNVFWLSFI-QZTJIDSGSA-N 2 0 342.483 2.840 50 0 EFAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095368608 218301479 /nfs/dbraw/zinc/30/14/79/218301479.db2.gz YCYOISSABNIQSK-INIZCTEOSA-N 2 0 330.476 2.573 50 0 EFAARP CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCC[NH+](C)C)C2 ZINC000095369003 218302013 /nfs/dbraw/zinc/30/20/13/218302013.db2.gz XDFFKIPTMPFUDG-AZUAARDMSA-N 2 0 345.531 2.933 50 0 EFAARP Cc1cc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc[nH+]1 ZINC000095503948 218418078 /nfs/dbraw/zinc/41/80/78/218418078.db2.gz GURJNUKISSDWTA-KRWDZBQOSA-N 2 0 327.476 2.922 50 0 EFAARP COCC[NH+]1CCC(C[N@H+](C)C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095526870 218431001 /nfs/dbraw/zinc/43/10/01/218431001.db2.gz JPOADCUGMNVMTR-LJQANCHMSA-N 2 0 346.515 2.918 50 0 EFAARP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000299778904 258088586 /nfs/dbraw/zinc/08/85/86/258088586.db2.gz PCNVCSDMGHEFJI-KRWDZBQOSA-N 2 0 330.476 2.840 50 0 EFAARP Cc1cc(C)cc(N2CCN(Cc3cccc(CC[NH3+])c3)CC2=O)c1 ZINC000072477807 258064940 /nfs/dbraw/zinc/06/49/40/258064940.db2.gz YRHFSXMJZFTANO-UHFFFAOYSA-N 2 0 337.467 2.653 50 0 EFAARP CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC3CC[NH2+]CC3)c2)C1 ZINC000299766631 258081272 /nfs/dbraw/zinc/08/12/72/258081272.db2.gz DQXUKXJSHCKANF-QGZVFWFLSA-N 2 0 346.471 2.593 50 0 EFAARP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C[NH+]1CCCCC1 ZINC000004046552 281099077 /nfs/dbraw/zinc/09/90/77/281099077.db2.gz WZCDPAZKCMKDCJ-HKUYNNGSSA-N 2 0 327.472 2.615 50 0 biogenic EFAARP CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2CCC[NH+](C)C ZINC000005345957 471500959 /nfs/dbraw/zinc/50/09/59/471500959.db2.gz VUOCULCVDXVLDQ-UHFFFAOYSA-N 2 0 346.523 2.754 50 0 EFAARP Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000067947225 472113737 /nfs/dbraw/zinc/11/37/37/472113737.db2.gz CSNGPVLGGBFVTR-UHFFFAOYSA-N 2 0 348.450 2.944 50 0 EFAARP CC(C)[C@H]1CN(C(=O)CCC[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071745599 472556659 /nfs/dbraw/zinc/55/66/59/472556659.db2.gz VGUVPIIXIRPHNG-GOSISDBHSA-N 2 0 335.467 2.624 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)C1 ZINC000091365188 472760663 /nfs/dbraw/zinc/76/06/63/472760663.db2.gz NTRMEDNYACUBLZ-SFHVURJKSA-N 2 0 343.515 2.842 50 0 EFAARP O[C@@]1(C[NH2+]CCCC[NH+]2CCCCCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872068 472822702 /nfs/dbraw/zinc/82/27/02/472822702.db2.gz CTZANZXHEFDHHX-WOJBJXKFSA-N 3 0 337.552 2.612 50 0 EFAARP NC(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095369029 473192046 /nfs/dbraw/zinc/19/20/46/473192046.db2.gz FSPUWXIWZYTPCK-SFHVURJKSA-N 2 0 341.499 2.596 50 0 EFAARP CC(C)[NH+]1CCC(N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000220113502 474153148 /nfs/dbraw/zinc/15/31/48/474153148.db2.gz FHQRGGQWNYJPDT-MOPGFXCFSA-N 2 0 336.451 2.824 50 0 EFAARP OCC1(C[NH+]2CCCC2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000220557431 474156500 /nfs/dbraw/zinc/15/65/00/474156500.db2.gz SRKRBCUSFNQMGE-UHFFFAOYSA-N 2 0 325.456 2.910 50 0 EFAARP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)[nH+]1 ZINC000230063038 474258428 /nfs/dbraw/zinc/25/84/28/474258428.db2.gz ABXUUVIMEUTFIT-CVEARBPZSA-N 2 0 330.476 2.571 50 0 EFAARP C[N@@H+]1CCN2CCN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2C1 ZINC000244787732 474567160 /nfs/dbraw/zinc/56/71/60/474567160.db2.gz QCQYHTRDPNXWEJ-LJQANCHMSA-N 2 0 337.467 2.911 50 0 EFAARP O=C(NCCCc1ncc[nH]1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299763666 476151929 /nfs/dbraw/zinc/15/19/29/476151929.db2.gz OWPSHMFMPNNGFN-KSZLIROESA-N 2 0 338.455 2.684 50 0 EFAARP C[N@@H+]1CCCC[C@H]1CC(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426726709 477744236 /nfs/dbraw/zinc/74/42/36/477744236.db2.gz GCFHCPVPGPASOI-FQEVSTJZSA-N 2 0 343.515 2.857 50 0 EFAARP Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000534590904 478160758 /nfs/dbraw/zinc/16/07/58/478160758.db2.gz OFYNXAQJNZPLOM-UHFFFAOYSA-N 2 0 338.455 2.677 50 0 EFAARP C[NH+](C)CC1(CO)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001772705944 1249291243 /nfs/dbraw/zinc/29/12/43/1249291243.db2.gz FBQLURPUYXXEAY-UHFFFAOYSA-N 2 0 330.394 2.842 50 0 EFAARP COCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824413171 1266889824 /nfs/dbraw/zinc/88/98/24/1266889824.db2.gz QEVSNRTUIYSHMS-SFHVURJKSA-N 2 0 345.487 2.579 50 0 EFAARP C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000005826237 1287359392 /nfs/dbraw/zinc/35/93/92/1287359392.db2.gz HZAANXASRXLOFH-FBMGVBCBSA-N 2 0 343.515 2.870 50 0 EFAARP CSCC[NH+]1CCC(NC(=O)[C@@H](c2cccc(C)c2)N(C)C)CC1 ZINC000952965424 1284924207 /nfs/dbraw/zinc/92/42/07/1284924207.db2.gz RRQVUDSIQUQZNE-GOSISDBHSA-N 2 0 349.544 2.541 50 0 EFAARP OC[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3cc(O)ccc3c2)C1 ZINC000952973555 1284945890 /nfs/dbraw/zinc/94/58/90/1284945890.db2.gz NWTWRDSIGZPQAK-KRWDZBQOSA-N 2 0 328.456 2.729 50 0 EFAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012748856 1307182410 /nfs/dbraw/zinc/18/24/10/1307182410.db2.gz PQXKHHHKRUABOY-GOSISDBHSA-N 2 0 348.487 2.563 50 0 EFAARP O[C@H]1[C@H]([N@@H+]2CCc3ccccc3C2)c2ccccc2C12CC[NH2+]CC2 ZINC000023251194 717802887 /nfs/dbraw/zinc/80/28/87/717802887.db2.gz HMKGOXAFXHVXCJ-RTWAWAEBSA-N 2 0 334.463 2.782 50 0 EFAARP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097636542 219043573 /nfs/dbraw/zinc/04/35/73/219043573.db2.gz VRIPVSWHOLZMLO-OAHLLOKOSA-N 2 0 331.460 2.574 50 0 EFAARP CCCCc1cn(C2CC[NH+](C[C@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055242129 214294447 /nfs/dbraw/zinc/29/44/47/214294447.db2.gz KURVRMQKIUFASA-KRWDZBQOSA-N 2 0 333.524 2.990 50 0 EFAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000004675494 210243249 /nfs/dbraw/zinc/24/32/49/210243249.db2.gz DJPLGULSVNCRPQ-UHFFFAOYSA-N 2 0 349.494 2.742 50 0 EFAARP CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)cc1 ZINC000067675075 215181905 /nfs/dbraw/zinc/18/19/05/215181905.db2.gz OFDJCNWRRTWMOL-KRWDZBQOSA-N 2 0 329.488 2.630 50 0 EFAARP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccsc3)C2)CC1 ZINC000067910258 215248427 /nfs/dbraw/zinc/24/84/27/215248427.db2.gz OANCWTSFQLAOGX-INIZCTEOSA-N 2 0 349.544 2.922 50 0 EFAARP O[C@@]1(C[NH2+]CCc2c[nH]c3ccccc23)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067947560 215255606 /nfs/dbraw/zinc/25/56/06/215255606.db2.gz QFIOFJHONUSTIG-WOJBJXKFSA-N 2 0 327.472 2.679 50 0 EFAARP COC(=O)c1cc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000072152520 216040683 /nfs/dbraw/zinc/04/06/83/216040683.db2.gz TXHHFZBIBLPLHH-UHFFFAOYSA-N 2 0 345.468 2.950 50 0 EFAARP Cc1ccc(CC[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)s1 ZINC000072168865 216060603 /nfs/dbraw/zinc/06/06/03/216060603.db2.gz PRIBINUTWPPGJM-MOPGFXCFSA-N 2 0 342.508 2.926 50 0 EFAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072409662 216200757 /nfs/dbraw/zinc/20/07/57/216200757.db2.gz AFEGJICINCYRKS-NRFANRHFSA-N 2 0 348.531 2.669 50 0 EFAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072409661 216201112 /nfs/dbraw/zinc/20/11/12/216201112.db2.gz AFEGJICINCYRKS-OAQYLSRUSA-N 2 0 348.531 2.669 50 0 EFAARP CNc1nc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc(C)[nH+]1 ZINC000072474933 216253132 /nfs/dbraw/zinc/25/31/32/216253132.db2.gz ZUOJQVJMYPQBTC-KRWDZBQOSA-N 2 0 337.471 2.870 50 0 EFAARP COc1cc(C[N@@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)ccc1F ZINC000023359030 212370969 /nfs/dbraw/zinc/37/09/69/212370969.db2.gz MUTZWEYDIQCRFR-KRWDZBQOSA-N 2 0 337.483 2.682 50 0 EFAARP [NH3+][C@H]1CCN(Cc2cccc(OCCCC[NH+]3CCCCC3)c2)C1 ZINC000215303843 241116523 /nfs/dbraw/zinc/11/65/23/241116523.db2.gz PMSOZXKLOZYSTH-IBGZPJMESA-N 2 0 331.504 2.865 50 0 EFAARP Cc1ncc2c(c1-c1noc(C[NH+]3CCCCCCC3)n1)CC[NH2+]C2 ZINC000019148308 212001490 /nfs/dbraw/zinc/00/14/90/212001490.db2.gz XZTIBUONCLPANP-UHFFFAOYSA-N 2 0 341.459 2.852 50 0 EFAARP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000215627946 296225215 /nfs/dbraw/zinc/22/52/15/296225215.db2.gz CMWYXONOEFZPJC-LJQANCHMSA-N 2 0 341.499 2.854 50 0 EFAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccs2)CC3)CC1 ZINC000012279365 211333044 /nfs/dbraw/zinc/33/30/44/211333044.db2.gz MXKFQWGKBCVPKD-QGZVFWFLSA-N 2 0 347.528 2.514 50 0 EFAARP Cc1ccc(-c2ccccc2C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)o1 ZINC000092099800 218119838 /nfs/dbraw/zinc/11/98/38/218119838.db2.gz SSWZBDGIGOZRIR-QZTJIDSGSA-N 2 0 328.456 2.857 50 0 EFAARP CC[NH+]1CCC(CC(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000095355816 218289107 /nfs/dbraw/zinc/28/91/07/218289107.db2.gz NDNAQGNLBOGWSZ-UHFFFAOYSA-N 2 0 329.488 2.712 50 0 EFAARP CCc1[nH+]c(N)nc(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1C ZINC000095377930 218310411 /nfs/dbraw/zinc/31/04/11/218310411.db2.gz AXUSTZQPSGRFFT-AWEZNQCLSA-N 2 0 329.448 2.847 50 0 EFAARP O=C(NCCC12CCC[NH+]1CCC2)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095383088 218315793 /nfs/dbraw/zinc/31/57/93/218315793.db2.gz TUSXWAKKGSNXTQ-LJQANCHMSA-N 2 0 341.499 2.902 50 0 EFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCC2)cc1 ZINC000095508409 473216624 /nfs/dbraw/zinc/21/66/24/473216624.db2.gz OLQRCSSVJRRHRB-FQEVSTJZSA-N 2 0 340.467 2.764 50 0 EFAARP [NH3+][C@H](CC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121756 473291909 /nfs/dbraw/zinc/29/19/09/473291909.db2.gz MHVNXPSAJKPUJN-LJQANCHMSA-N 2 0 329.488 2.944 50 0 EFAARP C[NH+](C)[C@H]1CCCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000082121700 473292185 /nfs/dbraw/zinc/29/21/85/473292185.db2.gz HYXHQAYKTZZKFA-FQEVSTJZSA-N 2 0 343.515 2.809 50 0 EFAARP C[NH+]1CCC(Cc2noc(C3CC[NH+](Cc4ccco4)CC3)n2)CC1 ZINC000096162313 473319912 /nfs/dbraw/zinc/31/99/12/473319912.db2.gz DQZIRUCDUXONBQ-UHFFFAOYSA-N 2 0 344.459 2.927 50 0 EFAARP C[C@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077322857 472502738 /nfs/dbraw/zinc/50/27/38/472502738.db2.gz DRHXULVGEOYPRL-GOSISDBHSA-N 2 0 343.515 2.841 50 0 EFAARP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)C[NH+]1CCCCCCC1 ZINC000077407532 472522395 /nfs/dbraw/zinc/52/23/95/472522395.db2.gz UWWFYLFJQBZWJT-HXUWFJFHSA-N 2 0 343.515 2.768 50 0 EFAARP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnn(C)c2C2CC2)CC1 ZINC000077436339 472526429 /nfs/dbraw/zinc/52/64/29/472526429.db2.gz CDNHUFRZMYSGCK-UHFFFAOYSA-N 2 0 325.460 2.713 50 0 EFAARP CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071575966 472553940 /nfs/dbraw/zinc/55/39/40/472553940.db2.gz REULTHGJKKAWDG-IBGZPJMESA-N 2 0 349.494 2.836 50 0 EFAARP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091951361 472830414 /nfs/dbraw/zinc/83/04/14/472830414.db2.gz WQXKZWMBPVSPAE-PKOBYXMFSA-N 2 0 347.478 2.590 50 0 EFAARP CCOC(=O)N1CCC([NH2+]CC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000065432639 472941331 /nfs/dbraw/zinc/94/13/31/472941331.db2.gz FYAICSKJECJUJF-UHFFFAOYSA-N 2 0 337.508 2.852 50 0 EFAARP CN(Cc1ccccc1OCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000222680620 474172917 /nfs/dbraw/zinc/17/29/17/474172917.db2.gz XOROPVPVERVJDI-LJQANCHMSA-N 2 0 331.504 2.687 50 0 EFAARP C1CCC([NH+]2CCC(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCCC3)CC2)C1 ZINC000223273604 474182102 /nfs/dbraw/zinc/18/21/02/474182102.db2.gz NSYLWNLWFZWGDF-PLACYPQZSA-N 2 0 347.547 2.625 50 0 EFAARP COc1ccc2c(c1)CC[C@@H]([NH2+]CCCOC1CC[NH+](C)CC1)C2 ZINC000534656645 478167092 /nfs/dbraw/zinc/16/70/92/478167092.db2.gz TVIBPKPABNPDOT-GOSISDBHSA-N 2 0 332.488 2.643 50 0 EFAARP CC[NH+](CC)Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)o1 ZINC000219453681 535598826 /nfs/dbraw/zinc/59/88/26/535598826.db2.gz WTPNRZKFOYJDOG-INIZCTEOSA-N 2 0 335.492 2.986 50 0 EFAARP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659881 536137827 /nfs/dbraw/zinc/13/78/27/536137827.db2.gz HKKLJAHJVKUSHS-KRWDZBQOSA-N 2 0 337.895 2.762 50 0 EFAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cnc[nH]2)CC1 ZINC000011663511 1262931001 /nfs/dbraw/zinc/93/10/01/1262931001.db2.gz FIGYVJXQIGSQDZ-UHFFFAOYSA-N 2 0 342.487 2.805 50 0 EFAARP CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1F ZINC000823110170 1265239680 /nfs/dbraw/zinc/23/96/80/1265239680.db2.gz BYSGGPWSKAACJH-ZWKOTPCHSA-N 2 0 347.478 2.781 50 0 EFAARP CC[NH+](CC)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000012596637 1276793268 /nfs/dbraw/zinc/79/32/68/1276793268.db2.gz VIKNVJPMBZXGHJ-KRWDZBQOSA-N 2 0 338.492 2.619 50 0 EFAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952860182 1284878715 /nfs/dbraw/zinc/87/87/15/1284878715.db2.gz HJHBYTXYINOHKI-KRWDZBQOSA-N 2 0 333.520 2.870 50 0 EFAARP CN(C)[C@H](CNC(=O)C1([NH+]2CCCC2)CCCCC1)c1ccco1 ZINC000952873166 1284898443 /nfs/dbraw/zinc/89/84/43/1284898443.db2.gz WEEIISNFSVBQKY-MRXNPFEDSA-N 2 0 333.476 2.797 50 0 EFAARP CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC001506418777 1405759719 /nfs/dbraw/zinc/75/97/19/1405759719.db2.gz SVGOWNYMUUKWEV-HXUWFJFHSA-N 2 0 335.536 2.831 50 0 EFAARP O=C(NCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000055042497 214266356 /nfs/dbraw/zinc/26/63/56/214266356.db2.gz PUNOTNQZMGOGDZ-MAUKXSAKSA-N 2 0 349.906 2.924 50 0 EFAARP CCc1cnc(C)nc1N1CCC([N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)CC1 ZINC000102685223 219222272 /nfs/dbraw/zinc/22/22/72/219222272.db2.gz DQAWKQROBGKMIP-DZFIZOCASA-N 2 0 344.503 2.673 50 0 EFAARP Cc1nn2cc(CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)nc2s1 ZINC000067723831 215194397 /nfs/dbraw/zinc/19/43/97/215194397.db2.gz HELVZDICNWMPAV-UHFFFAOYSA-N 2 0 333.505 2.544 50 0 EFAARP COc1ccccc1C[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072166851 216056842 /nfs/dbraw/zinc/05/68/42/216056842.db2.gz UBULVNXMFDEUNJ-UXHICEINSA-N 2 0 338.451 2.522 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cccs1)CC[NH+](C)CC2 ZINC000072468954 216248995 /nfs/dbraw/zinc/24/89/95/216248995.db2.gz CQQDUJNKCFRRKK-QGZVFWFLSA-N 2 0 349.544 2.603 50 0 EFAARP C[NH+]1CCC(N(Cc2cccnc2)Cc2cccc(CC[NH3+])c2)CC1 ZINC000072478144 216256435 /nfs/dbraw/zinc/25/64/35/216256435.db2.gz AVPAPALSESXISJ-UHFFFAOYSA-N 2 0 338.499 2.679 50 0 EFAARP C[C@@H]1CCC[N@H+](CCCOc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000216471520 241195011 /nfs/dbraw/zinc/19/50/11/241195011.db2.gz QRHDGXPUOKGNPX-LJQANCHMSA-N 2 0 345.531 2.935 50 0 EFAARP O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000215499943 241128189 /nfs/dbraw/zinc/12/81/89/241128189.db2.gz BKTWXCXFXYCWLU-SFHVURJKSA-N 2 0 349.906 2.605 50 0 EFAARP CC(=O)c1cccc(C[N@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000019744466 212060350 /nfs/dbraw/zinc/06/03/50/212060350.db2.gz LDTQUWSQAKMFQE-FQEVSTJZSA-N 2 0 331.504 2.737 50 0 EFAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000097425747 219023639 /nfs/dbraw/zinc/02/36/39/219023639.db2.gz FBEOKGNDRDPHDW-GOSISDBHSA-N 2 0 328.460 2.665 50 0 EFAARP [NH2+]=C1Nc2nc3ccccc3n2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000004037356 274943023 /nfs/dbraw/zinc/94/30/23/274943023.db2.gz NOBBCCRPBZATBL-UHFFFAOYSA-N 2 0 346.438 2.725 50 0 EFAARP c1ccc2c(c1)C[C@@H](C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCO2 ZINC000095528399 275070251 /nfs/dbraw/zinc/07/02/51/275070251.db2.gz UCBCYETYKYOQBX-IBGZPJMESA-N 2 0 344.499 2.672 50 0 EFAARP CC1(C)CCC[N@@H+]1Cc1cn(C2CC[NH+]([C@H]3CCSC3)CC2)nn1 ZINC000023379900 276106203 /nfs/dbraw/zinc/10/62/03/276106203.db2.gz KXWQDUIZDOCUDH-KRWDZBQOSA-N 2 0 349.548 2.795 50 0 EFAARP O=C1CCC2(CC[NH2+]CC2)CN1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000091746374 280250019 /nfs/dbraw/zinc/25/00/19/280250019.db2.gz DKMXYAVRGSCPOL-IBGZPJMESA-N 2 0 341.499 2.643 50 0 EFAARP Cc1ccccc1[C@H](CN1CC2(CC[NH2+]CC2)CCC1=O)[NH+](C)C ZINC000091645270 302183584 /nfs/dbraw/zinc/18/35/84/302183584.db2.gz PRIKAWFHTZYVHP-SFHVURJKSA-N 2 0 329.488 2.590 50 0 EFAARP Cc1cc(N2CCC([N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)nc(C(C)C)n1 ZINC000095510854 473216482 /nfs/dbraw/zinc/21/64/82/473216482.db2.gz BGVQYMOWULPXGJ-FUHWJXTLSA-N 2 0 343.519 2.561 50 0 EFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCC2)cc1 ZINC000095508410 473217237 /nfs/dbraw/zinc/21/72/37/473217237.db2.gz OLQRCSSVJRRHRB-HXUWFJFHSA-N 2 0 340.467 2.764 50 0 EFAARP OC1CC[NH+](C2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000095525377 473219741 /nfs/dbraw/zinc/21/97/41/473219741.db2.gz RTJUYZGOQQETCF-QGZVFWFLSA-N 2 0 344.499 2.549 50 0 EFAARP C[NH+]1CCC(Cc2nc([C@@H]3CC[NH2+]C3)n(CC3CCCCC3)n2)CC1 ZINC000096154026 473316488 /nfs/dbraw/zinc/31/64/88/473316488.db2.gz RDTVKFLZOOHVLZ-GOSISDBHSA-N 2 0 345.535 2.820 50 0 EFAARP C[NH+](C)CCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002459141 471408321 /nfs/dbraw/zinc/40/83/21/471408321.db2.gz NCGVVYRUGRNHOI-MRXNPFEDSA-N 2 0 325.456 2.697 50 0 EFAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)CC(C)(C)CO)C2)cc1 ZINC000012710470 471789923 /nfs/dbraw/zinc/78/99/23/471789923.db2.gz HBWDBYPNZDGHAO-LJQANCHMSA-N 2 0 348.531 2.900 50 0 EFAARP c1cc(O[C@@]23CC[N@H+](C2)CCC3)ccc1C[NH2+]CC1CCOCC1 ZINC000067446990 472034498 /nfs/dbraw/zinc/03/44/98/472034498.db2.gz CVGDQKAGTGCDLB-FQEVSTJZSA-N 2 0 330.472 2.820 50 0 EFAARP Cc1cccnc1N1CCN(C(=O)[C@@H](C)n2ccnc2C(C)C)CC1 ZINC000067818627 472094288 /nfs/dbraw/zinc/09/42/88/472094288.db2.gz ODOLAHYQJJVANM-MRXNPFEDSA-N 2 0 341.459 2.620 50 0 EFAARP CC(=O)NCC1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000077297948 472496199 /nfs/dbraw/zinc/49/61/99/472496199.db2.gz YIRLLZALCABLJO-UHFFFAOYSA-N 2 0 335.517 2.692 50 0 EFAARP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)C[NH+]1CCCCCCC1 ZINC000077407533 472522338 /nfs/dbraw/zinc/52/23/38/472522338.db2.gz UWWFYLFJQBZWJT-FQEVSTJZSA-N 2 0 343.515 2.768 50 0 EFAARP Cc1cc(C[N@@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1-n1cnnc1 ZINC000071759293 472562187 /nfs/dbraw/zinc/56/21/87/472562187.db2.gz ZFSDQXZKUMMDGU-UHFFFAOYSA-N 2 0 344.507 2.749 50 0 EFAARP O=C1CCC[C@H]2[C@H]3C[C@@H](CN12)C[N@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)C3 ZINC000072141580 472630870 /nfs/dbraw/zinc/63/08/70/472630870.db2.gz OXHMOMAEJDAYKG-CXQPBAHBSA-N 2 0 345.531 2.584 50 0 EFAARP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000065500879 472958430 /nfs/dbraw/zinc/95/84/30/472958430.db2.gz XLNHFOBEOSZOFN-KRWDZBQOSA-N 2 0 333.476 2.653 50 0 EFAARP CC(C)Cn1cncc1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000821502077 1264962440 /nfs/dbraw/zinc/96/24/40/1264962440.db2.gz HBTJLPRUQSNTMQ-UHFFFAOYSA-N 2 0 330.432 2.658 50 0 EFAARP CC[NH+](CC)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000012596633 1276793160 /nfs/dbraw/zinc/79/31/60/1276793160.db2.gz VIKNVJPMBZXGHJ-QGZVFWFLSA-N 2 0 338.492 2.619 50 0 EFAARP COc1ncc(CNC[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000952969620 1284935783 /nfs/dbraw/zinc/93/57/83/1284935783.db2.gz BWPCHNRZNLYGEF-GOSISDBHSA-N 2 0 340.471 2.530 50 0 EFAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000014989524 1311428848 /nfs/dbraw/zinc/42/88/48/1311428848.db2.gz OKFIXYPPJFKPEC-QGZVFWFLSA-N 2 0 347.528 2.514 50 0 EFAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000014989523 1311428958 /nfs/dbraw/zinc/42/89/58/1311428958.db2.gz OKFIXYPPJFKPEC-KRWDZBQOSA-N 2 0 347.528 2.514 50 0 EFAARP Cc1cccc(N2CCC([NH2+][C@@H]3COC4(C3)CC[NH2+]CC4)CC2)c1C ZINC001506410411 1405756480 /nfs/dbraw/zinc/75/64/80/1405756480.db2.gz TZBCDALYBVCQSN-IBGZPJMESA-N 2 0 343.515 2.773 50 0 EFAARP c1coc(C[NH+]2CCC(N3CC[NH2+][C@@H](c4ccccc4)C3)CC2)c1 ZINC001506429173 1405765599 /nfs/dbraw/zinc/76/55/99/1405765599.db2.gz VYLDMAXQGXXHHC-HXUWFJFHSA-N 2 0 325.456 2.891 50 0 EFAARP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000326666649 715184524 /nfs/dbraw/zinc/18/45/24/715184524.db2.gz KYXBBJDNTHARFD-HXUWFJFHSA-N 2 0 335.451 2.935 50 0 EFAARP CCc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003683899 718409113 /nfs/dbraw/zinc/40/91/13/718409113.db2.gz UDDXYEJJMSOPNQ-QGZVFWFLSA-N 2 0 334.504 2.888 50 0 EFAARP CC(=O)c1cccc(C[N@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000019744464 202017984 /nfs/dbraw/zinc/01/79/84/202017984.db2.gz LDTQUWSQAKMFQE-HXUWFJFHSA-N 2 0 331.504 2.737 50 0 EFAARP c1cn(CCOc2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)cc2)cn1 ZINC000225418865 201034150 /nfs/dbraw/zinc/03/41/50/201034150.db2.gz KVNFEHYCDQVURW-IBGZPJMESA-N 2 0 340.471 2.632 50 0 EFAARP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000215892101 241152671 /nfs/dbraw/zinc/15/26/71/241152671.db2.gz ZNRCSSIWBHFPRM-MRXNPFEDSA-N 2 0 336.439 2.652 50 0 EFAARP CSCC[N@H+](C)Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000216319171 241182912 /nfs/dbraw/zinc/18/29/12/241182912.db2.gz XKFMERWEVVSVCW-UHFFFAOYSA-N 2 0 335.561 2.846 50 0 EFAARP COc1ccc(C[N@@H+]2CCCC[C@H]2CCN2CC[NH+](C)CC2)c(F)c1 ZINC000216374668 241185373 /nfs/dbraw/zinc/18/53/73/241185373.db2.gz QFTRLQADWUJSKH-SFHVURJKSA-N 2 0 349.494 2.826 50 0 EFAARP O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000216488773 241194212 /nfs/dbraw/zinc/19/42/12/241194212.db2.gz CUKDNZJKCKZCRT-LJQANCHMSA-N 2 0 341.499 2.854 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccccc1F)CC[NH+](C)CC2 ZINC000072454056 203226918 /nfs/dbraw/zinc/22/69/18/203226918.db2.gz FCOJIAJRTMEJAW-SFHVURJKSA-N 2 0 347.478 2.638 50 0 EFAARP COCC1(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCCC1 ZINC000072462736 203227652 /nfs/dbraw/zinc/22/76/52/203227652.db2.gz BCWUSEVUSZEUDY-MOPGFXCFSA-N 2 0 344.499 2.520 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072411488 203218072 /nfs/dbraw/zinc/21/80/72/203218072.db2.gz OHIZIQXYDNVRKV-GOSISDBHSA-N 2 0 347.478 2.638 50 0 EFAARP C[C@H](c1cccc(CN2CCC([NH+]3CCC(O)CC3)CC2)c1)[NH+](C)C ZINC000072417928 203218790 /nfs/dbraw/zinc/21/87/90/203218790.db2.gz VJUDUABBVOXUIL-QGZVFWFLSA-N 2 0 345.531 2.730 50 0 EFAARP OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000072425093 203222078 /nfs/dbraw/zinc/22/20/78/203222078.db2.gz BXBKMNGCSZSAIB-AWEZNQCLSA-N 2 0 342.405 2.988 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C)s1)CC[NH+](C)CC2 ZINC000072436116 203224412 /nfs/dbraw/zinc/22/44/12/203224412.db2.gz INBKBNKIEMLWMT-QGZVFWFLSA-N 2 0 349.544 2.869 50 0 EFAARP COc1ccc(F)cc1C[NH+]1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077470691 203390170 /nfs/dbraw/zinc/39/01/70/203390170.db2.gz IOIUQEWHRQXILW-INIZCTEOSA-N 2 0 349.494 2.682 50 0 EFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000012574538 207176336 /nfs/dbraw/zinc/17/63/36/207176336.db2.gz GBGCARXXPAKKAA-MRXNPFEDSA-N 2 0 338.492 2.665 50 0 EFAARP C[C@H](C[NH3+])Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000299768166 258082040 /nfs/dbraw/zinc/08/20/40/258082040.db2.gz JVXOTLYPFPWFHB-QGZVFWFLSA-N 2 0 325.456 2.735 50 0 EFAARP Cc1ccccc1[C@@H](CN1CC2(CC[NH2+]CC2)CCC1=O)[NH+](C)C ZINC000091645269 302126524 /nfs/dbraw/zinc/12/65/24/302126524.db2.gz PRIKAWFHTZYVHP-GOSISDBHSA-N 2 0 329.488 2.590 50 0 EFAARP Cc1c(C)n(CC[NH+](C)C)c2ccc(C(=O)OCC[NH+](C)C)cc12 ZINC000000000919 471317052 /nfs/dbraw/zinc/31/70/52/471317052.db2.gz LOCIGFDPZFJXFT-UHFFFAOYSA-N 2 0 331.460 2.538 50 0 in-man EFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212627 471335919 /nfs/dbraw/zinc/33/59/19/471335919.db2.gz VBMZEGHPTUQKPQ-GOSISDBHSA-N 2 0 335.536 2.975 50 0 EFAARP C[NH+](C)CCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002459140 471408269 /nfs/dbraw/zinc/40/82/69/471408269.db2.gz NCGVVYRUGRNHOI-INIZCTEOSA-N 2 0 325.456 2.697 50 0 EFAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Br)c1OC ZINC000010434691 471735214 /nfs/dbraw/zinc/73/52/14/471735214.db2.gz NWUUMFHEDSSPAL-UHFFFAOYSA-N 2 0 343.265 2.556 50 0 EFAARP c1ccc(-c2noc(CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)n2)nc1 ZINC000067688459 472072036 /nfs/dbraw/zinc/07/20/36/472072036.db2.gz IHLWEOVKISLXLO-UHFFFAOYSA-N 2 0 341.459 2.576 50 0 EFAARP C[N@H+](Cc1nc(-c2cccnc2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067691784 472073267 /nfs/dbraw/zinc/07/32/67/472073267.db2.gz BIVYVJOYVLOEGD-UHFFFAOYSA-N 2 0 341.459 2.876 50 0 EFAARP O=C(NCC[C@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000067842355 472097052 /nfs/dbraw/zinc/09/70/52/472097052.db2.gz YYLDMWJAILONOZ-QGZVFWFLSA-N 2 0 335.536 2.927 50 0 EFAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097636543 472503341 /nfs/dbraw/zinc/50/33/41/472503341.db2.gz VRIPVSWHOLZMLO-HNNXBMFYSA-N 2 0 331.460 2.574 50 0 EFAARP CN(C)C(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C[NH+](C)C)cs2)C1 ZINC000072158311 472631330 /nfs/dbraw/zinc/63/13/30/472631330.db2.gz ZPYHNTORYJAIRU-HNNXBMFYSA-N 2 0 337.533 2.890 50 0 EFAARP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000065500885 472958810 /nfs/dbraw/zinc/95/88/10/472958810.db2.gz XLNHFOBEOSZOFN-QGZVFWFLSA-N 2 0 333.476 2.653 50 0 EFAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CC[C@H]1CCC[NH+](C)C1 ZINC000095360881 473191293 /nfs/dbraw/zinc/19/12/93/473191293.db2.gz XXHIWFOVMQXBBZ-MRXNPFEDSA-N 2 0 329.488 2.712 50 0 EFAARP CC(C)[NH+]1CCC(C(=O)NCCC[NH+]2Cc3ccccc3C2)CC1 ZINC000095366776 473192360 /nfs/dbraw/zinc/19/23/60/473192360.db2.gz KXJWQBQSZTTWPD-UHFFFAOYSA-N 2 0 329.488 2.629 50 0 EFAARP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)nc(N)[nH+]1 ZINC000095379018 473193480 /nfs/dbraw/zinc/19/34/80/473193480.db2.gz YKTXUGGZAKJZMN-LBPRGKRZSA-N 2 0 331.489 2.618 50 0 EFAARP c1ccc(O[C@@H]2COCC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)nc1 ZINC000223062994 474178539 /nfs/dbraw/zinc/17/85/39/474178539.db2.gz GQWBTQMAMMSOMJ-RTBURBONSA-N 2 0 345.487 2.615 50 0 EFAARP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000585136471 479296615 /nfs/dbraw/zinc/29/66/15/479296615.db2.gz HPVHZIIPAZMDRX-BBWFWOEESA-N 2 0 337.508 2.706 50 0 EFAARP C[NH+](C)CCOC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215034674 535893202 /nfs/dbraw/zinc/89/32/02/535893202.db2.gz GHZOXPCPJJPMNG-UHFFFAOYSA-N 2 0 346.450 2.554 50 0 EFAARP c1ccc(CC[C@]23C[NH2+]C[C@@H]2C[N@@H+](C2CSCCSC2)C3)cc1 ZINC001772706035 1249291342 /nfs/dbraw/zinc/29/13/42/1249291342.db2.gz OGSFAIWPFFJWCD-IEBWSBKVSA-N 2 0 348.581 2.989 50 0 EFAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C[NH+](C)C ZINC000011818125 1264017493 /nfs/dbraw/zinc/01/74/93/1264017493.db2.gz DXRKTFCUMNCUDU-UHFFFAOYSA-N 2 0 345.531 2.660 50 0 EFAARP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](C2CCSCC2)CCO3)ccn1 ZINC000828937456 1268002237 /nfs/dbraw/zinc/00/22/37/1268002237.db2.gz BRQLURSNLKAGSS-UHFFFAOYSA-N 2 0 347.528 2.644 50 0 EFAARP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cc(O)ccc3c2)C1 ZINC000952985744 1284985160 /nfs/dbraw/zinc/98/51/60/1284985160.db2.gz CSCJQQOJGAAVHU-KRWDZBQOSA-N 2 0 328.456 2.993 50 0 EFAARP Cn1ccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015070904 1311466389 /nfs/dbraw/zinc/46/63/89/1311466389.db2.gz MSEPUFNHFNKVIB-LJQANCHMSA-N 2 0 339.487 2.549 50 0 EFAARP C[NH+]1CCC(N2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)CC1 ZINC000097756413 219054530 /nfs/dbraw/zinc/05/45/30/219054530.db2.gz UONUBLATKWRYPF-UHFFFAOYSA-N 2 0 339.483 2.757 50 0 EFAARP CCCCc1cn(C2CC[NH+](C[C@@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055242126 214293995 /nfs/dbraw/zinc/29/39/95/214293995.db2.gz KURVRMQKIUFASA-QGZVFWFLSA-N 2 0 333.524 2.990 50 0 EFAARP OC[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055341924 214310427 /nfs/dbraw/zinc/31/04/27/214310427.db2.gz KARZKHGEZFXXTA-SFHVURJKSA-N 2 0 346.450 2.542 50 0 EFAARP COc1cc(C)c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000097814999 219059074 /nfs/dbraw/zinc/05/90/74/219059074.db2.gz NHUDVYYVLYRZFK-IBGZPJMESA-N 2 0 345.531 2.771 50 0 EFAARP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000067603803 215168202 /nfs/dbraw/zinc/16/82/02/215168202.db2.gz GBVRKVZDKNWSPP-UHFFFAOYSA-N 2 0 349.906 2.762 50 0 EFAARP Cc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@H](C)[NH+](C)C)CC3)cc2c1 ZINC000067723207 215194923 /nfs/dbraw/zinc/19/49/23/215194923.db2.gz NFCAGOBJVUVFKZ-HNNXBMFYSA-N 2 0 327.472 2.999 50 0 EFAARP CN1CC[N@H+](C)CC12CC[NH+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000067772736 215209011 /nfs/dbraw/zinc/20/90/11/215209011.db2.gz NBUVWLFGXKHRJZ-SFHVURJKSA-N 2 0 347.503 2.733 50 0 EFAARP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](CNC(=O)c3ccsc3)C2)CC1 ZINC000067910254 215248437 /nfs/dbraw/zinc/24/84/37/215248437.db2.gz OANCWTSFQLAOGX-MRXNPFEDSA-N 2 0 349.544 2.922 50 0 EFAARP CC1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)o2)CC1 ZINC000067946443 215255597 /nfs/dbraw/zinc/25/55/97/215255597.db2.gz QEXPQPIYUCEXKU-FQEVSTJZSA-N 2 0 345.487 2.727 50 0 EFAARP Cc1cc(N2CCC[N@@H+](Cc3cnc(N(C)C)s3)CC2)cc[nH+]1 ZINC000072134445 216023471 /nfs/dbraw/zinc/02/34/71/216023471.db2.gz VWHWOOQIFBXQOO-UHFFFAOYSA-N 2 0 331.489 2.625 50 0 EFAARP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072157250 216047482 /nfs/dbraw/zinc/04/74/82/216047482.db2.gz JWYJBNIJBZZPJC-SFHVURJKSA-N 2 0 349.500 2.990 50 0 EFAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000072166625 216055409 /nfs/dbraw/zinc/05/54/09/216055409.db2.gz XJWHUCNILNLCDU-GGPKGHCWSA-N 2 0 348.487 2.619 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccsc1)CC[NH+](C)CC2 ZINC000072473663 216250534 /nfs/dbraw/zinc/25/05/34/216250534.db2.gz YNDQEQXNYYMWCX-INIZCTEOSA-N 2 0 335.517 2.561 50 0 EFAARP C[C@@H](C1CC[NH+](Cc2ccc(O)cc2Cl)CC1)[NH+]1CCOCC1 ZINC000072479099 216258483 /nfs/dbraw/zinc/25/84/83/216258483.db2.gz JTIJWKNQMFVDBQ-AWEZNQCLSA-N 2 0 338.879 2.978 50 0 EFAARP CCc1ccc(C[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)cc1 ZINC000023158687 212356740 /nfs/dbraw/zinc/35/67/40/212356740.db2.gz RXMFWFPHOUHQKI-UHFFFAOYSA-N 2 0 327.476 2.871 50 0 EFAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102807 212100556 /nfs/dbraw/zinc/10/05/56/212100556.db2.gz MORNGIPSBNWXMN-UHFFFAOYSA-N 2 0 337.895 2.620 50 0 EFAARP CC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012373447 211359412 /nfs/dbraw/zinc/35/94/12/211359412.db2.gz CJQCJHAGRMBOSN-LJQANCHMSA-N 2 0 335.536 2.975 50 0 EFAARP O=C(c1ccco1)N1CCC[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067955714 284719233 /nfs/dbraw/zinc/71/92/33/284719233.db2.gz GAGINVIOQHZHHR-QGZVFWFLSA-N 2 0 345.487 2.786 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCCC(N)=O)CC2)C1 ZINC000091594829 218028259 /nfs/dbraw/zinc/02/82/59/218028259.db2.gz SKOIANSQMWZXOS-IBGZPJMESA-N 2 0 343.515 2.844 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)NC)CC2)C1 ZINC000092077028 218115846 /nfs/dbraw/zinc/11/58/46/218115846.db2.gz BPNKZWNKOSJHSP-IBGZPJMESA-N 2 0 343.515 2.714 50 0 EFAARP O=C(NCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010450184 211174030 /nfs/dbraw/zinc/17/40/30/211174030.db2.gz ZNKBEOUBMGMXDC-UHFFFAOYSA-N 2 0 329.488 2.888 50 0 EFAARP NC(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095369028 218301893 /nfs/dbraw/zinc/30/18/93/218301893.db2.gz FSPUWXIWZYTPCK-GOSISDBHSA-N 2 0 341.499 2.596 50 0 EFAARP O=C(NCCCC[NH+]1CCCC1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095383233 218315492 /nfs/dbraw/zinc/31/54/92/218315492.db2.gz ZBKCWAJRNDUNIN-LJQANCHMSA-N 2 0 329.488 2.759 50 0 EFAARP Cc1cc[nH+]c(NCCNC(=O)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000095386377 218317732 /nfs/dbraw/zinc/31/77/32/218317732.db2.gz MMNDRDSFXHMSHE-UHFFFAOYSA-N 2 0 344.503 2.963 50 0 EFAARP C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299772120 258084206 /nfs/dbraw/zinc/08/42/06/258084206.db2.gz YMFMFFRROUFBCP-UHFFFAOYSA-N 2 0 345.512 2.664 50 0 EFAARP Cc1cc(N2CCC[N@H+](CCn3cnc4ccccc43)CC2)cc[nH+]1 ZINC000299773481 258085255 /nfs/dbraw/zinc/08/52/55/258085255.db2.gz CHEDBRGGOFTKLJ-UHFFFAOYSA-N 2 0 335.455 2.952 50 0 EFAARP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000299778908 258088384 /nfs/dbraw/zinc/08/83/84/258088384.db2.gz PCNVCSDMGHEFJI-QGZVFWFLSA-N 2 0 330.476 2.840 50 0 EFAARP C[C@@H](C1CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077287498 286793013 /nfs/dbraw/zinc/79/30/13/286793013.db2.gz DXVWIFIDXVBJRO-INIZCTEOSA-N 2 0 331.508 2.629 50 0 EFAARP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C[NH+]1CCCCC1 ZINC000008770879 281127935 /nfs/dbraw/zinc/12/79/35/281127935.db2.gz WZCDPAZKCMKDCJ-MJGOQNOKSA-N 2 0 327.472 2.615 50 0 EFAARP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)[nH+]1 ZINC000065575958 281246982 /nfs/dbraw/zinc/24/69/82/281246982.db2.gz ABXUUVIMEUTFIT-JKSUJKDBSA-N 2 0 330.476 2.571 50 0 EFAARP Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000223330039 301273426 /nfs/dbraw/zinc/27/34/26/301273426.db2.gz GYFZMGAALAZRBL-FQEVSTJZSA-N 2 0 343.515 2.985 50 0 EFAARP Cc1cc(N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000095509205 473217057 /nfs/dbraw/zinc/21/70/57/473217057.db2.gz RPGKSKWYPQFXCH-QGZVFWFLSA-N 2 0 337.471 2.826 50 0 EFAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095518084 473217535 /nfs/dbraw/zinc/21/75/35/473217535.db2.gz NQBPZZLDINFCFM-GOSISDBHSA-N 2 0 348.487 2.517 50 0 EFAARP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121757 473292102 /nfs/dbraw/zinc/29/21/02/473292102.db2.gz MHVNXPSAJKPUJN-IBGZPJMESA-N 2 0 329.488 2.944 50 0 EFAARP Cn1c2ccccc2[n+](C)c1CCCCc1n(C)c2ccccc2[n+]1C ZINC000001833372 471399429 /nfs/dbraw/zinc/39/94/29/471399429.db2.gz JVQFENPKRNKGTH-UHFFFAOYSA-N 2 0 348.494 2.884 50 0 EFAARP [NH2+]=C1NC(=[NH2+])N(CCc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)N1 ZINC000006819928 471572104 /nfs/dbraw/zinc/57/21/04/471572104.db2.gz RPKVMNWWHQCISS-HNNXBMFYSA-N 2 0 345.809 2.665 50 0 EFAARP CN(CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000039380907 472022931 /nfs/dbraw/zinc/02/29/31/472022931.db2.gz JVRLBFMOZAYPDG-MRXNPFEDSA-N 2 0 341.446 2.746 50 0 EFAARP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200686 472476130 /nfs/dbraw/zinc/47/61/30/472476130.db2.gz NXEQFEGQGPAIIH-QGZVFWFLSA-N 2 0 330.476 2.526 50 0 EFAARP CCc1oc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1C[NH+]1CCCC1 ZINC000071278657 472546452 /nfs/dbraw/zinc/54/64/52/472546452.db2.gz NVDRMPXSRKDHER-OAHLLOKOSA-N 2 0 333.476 2.509 50 0 EFAARP CC(C)[C@@H]1CN(C(=O)CCC[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071745598 472556951 /nfs/dbraw/zinc/55/69/51/472556951.db2.gz VGUVPIIXIRPHNG-SFHVURJKSA-N 2 0 335.467 2.624 50 0 EFAARP CC(C)Cc1cn(C2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000048428156 472876249 /nfs/dbraw/zinc/87/62/49/472876249.db2.gz JXAQSXCLOWHBBK-UHFFFAOYSA-N 2 0 333.524 2.986 50 0 EFAARP [NH3+]C[C@@H]1CCCCN1Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000215654934 474138402 /nfs/dbraw/zinc/13/84/02/474138402.db2.gz CDRUTSJXNLKVKN-IBGZPJMESA-N 2 0 331.504 2.865 50 0 EFAARP [NH3+]C[C@H]1CCCCN1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215070974 474139085 /nfs/dbraw/zinc/13/90/85/474139085.db2.gz MKWVHMCDHBRIAW-LJQANCHMSA-N 2 0 331.504 2.865 50 0 EFAARP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000215892140 474139937 /nfs/dbraw/zinc/13/99/37/474139937.db2.gz ZNRCSSIWBHFPRM-INIZCTEOSA-N 2 0 336.439 2.652 50 0 EFAARP C(O[C@@H]1COCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CCC1 ZINC000222418036 474169745 /nfs/dbraw/zinc/16/97/45/474169745.db2.gz NYUBRYVITMNPSQ-RTBURBONSA-N 2 0 336.520 2.863 50 0 EFAARP Cc1ccc(CN(C)CC(=O)N[C@@H](c2nccn2C)C(C)C)cc1 ZINC000252496821 474680749 /nfs/dbraw/zinc/68/07/49/474680749.db2.gz PSKHULBMMGZWHA-GOSISDBHSA-N 2 0 328.460 2.674 50 0 EFAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1ccccc1C ZINC000426693868 477739197 /nfs/dbraw/zinc/73/91/97/477739197.db2.gz UIQURJDIVCJMMP-CQSZACIVSA-N 2 0 331.489 2.611 50 0 EFAARP C[N@@H+]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426726710 477743345 /nfs/dbraw/zinc/74/33/45/477743345.db2.gz GCFHCPVPGPASOI-HXUWFJFHSA-N 2 0 343.515 2.857 50 0 EFAARP C[NH+](C)Cc1csc(C[NH+]2CCC(O)(c3cccnc3)CC2)c1 ZINC000215987544 536060135 /nfs/dbraw/zinc/06/01/35/536060135.db2.gz KOPSBDRUQBXPKY-UHFFFAOYSA-N 2 0 331.485 2.688 50 0 EFAARP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160622 536434462 /nfs/dbraw/zinc/43/44/62/536434462.db2.gz ZWYAKSNNZKQWON-FQEVSTJZSA-N 2 0 345.531 2.551 50 0 EFAARP O=C(C[NH+]1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670456659 547492989 /nfs/dbraw/zinc/49/29/89/547492989.db2.gz ODFKOJPLOJMHMB-LJQANCHMSA-N 2 0 329.488 2.816 50 0 EFAARP [NH3+][C@H]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000585672531 564014877 /nfs/dbraw/zinc/01/48/77/564014877.db2.gz VTAXEGUAGOZWEP-MQMHXKEQSA-N 2 0 344.240 2.898 50 0 EFAARP c1ccc(CC[C@@]23C[NH2+]C[C@H]2C[N@@H+](C2CSCCSC2)C3)cc1 ZINC001772706033 1249291002 /nfs/dbraw/zinc/29/10/02/1249291002.db2.gz OGSFAIWPFFJWCD-HKUYNNGSSA-N 2 0 348.581 2.989 50 0 EFAARP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCC[NH+](C)C2)C1 ZINC000012191398 1265145777 /nfs/dbraw/zinc/14/57/77/1265145777.db2.gz VDTDXIUWOBLAMG-CEXWTWQISA-N 2 0 335.536 2.687 50 0 EFAARP CSc1ncc(CNC2CC[NH+](CCc3ccccc3)CC2)n1C ZINC000824958816 1266972541 /nfs/dbraw/zinc/97/25/41/1266972541.db2.gz BUNBASCGCZBTMG-UHFFFAOYSA-N 2 0 344.528 2.939 50 0 EFAARP CN(C)[C@@H](CNC(=O)C1([NH+]2CCCC2)CCCCC1)c1ccco1 ZINC000952873165 1284898515 /nfs/dbraw/zinc/89/85/15/1284898515.db2.gz WEEIISNFSVBQKY-INIZCTEOSA-N 2 0 333.476 2.797 50 0 EFAARP COCC[NH+]1CCC(C[N@H+](C)Cc2cccc(O)c2Cl)CC1 ZINC000952968133 1284964600 /nfs/dbraw/zinc/96/46/00/1284964600.db2.gz AVBXFXSSZVHZQA-UHFFFAOYSA-N 2 0 326.868 2.836 50 0 EFAARP CC(=O)Nc1ccc2nc(C[NH2+]CCNc3cc[nH+]cc3C)ccc2c1 ZINC000952982441 1284978887 /nfs/dbraw/zinc/97/88/87/1284978887.db2.gz HDDPHIJXRQUBAH-UHFFFAOYSA-N 2 0 349.438 2.520 50 0 EFAARP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)n1cnc2ccccc21 ZINC000019112625 1314393897 /nfs/dbraw/zinc/39/38/97/1314393897.db2.gz HMMOMFKCWLQBTP-KRWDZBQOSA-N 2 0 342.487 2.642 50 0 EFAARP Cc1cc(C)n(C[C@H](C)[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC001506411841 1405757150 /nfs/dbraw/zinc/75/71/50/1405757150.db2.gz UWXLAZQGVZFTQR-SFHVURJKSA-N 2 0 327.476 2.804 50 0 EFAARP C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000067338958 215135085 /nfs/dbraw/zinc/13/50/85/215135085.db2.gz WTHSMLOWHLTWRH-UHFFFAOYSA-N 2 0 329.488 2.887 50 0 EFAARP c1ncn(-c2ccccc2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067447258 215146539 /nfs/dbraw/zinc/14/65/39/215146539.db2.gz OHRQJQARYBJKSE-UHFFFAOYSA-N 2 0 325.460 2.669 50 0 EFAARP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000067490903 215155066 /nfs/dbraw/zinc/15/50/66/215155066.db2.gz PKLUVFXBAIEZPC-FQEVSTJZSA-N 2 0 325.456 2.720 50 0 EFAARP CC[N@@H+](Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CC[NH+](C)C1 ZINC000067788550 215213863 /nfs/dbraw/zinc/21/38/63/215213863.db2.gz AYBPXKIKPMHREL-INIZCTEOSA-N 2 0 339.483 2.721 50 0 EFAARP C[N@H+](Cc1nc(-c2ccncc2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067803162 215214488 /nfs/dbraw/zinc/21/44/88/215214488.db2.gz AHCONXBOEYNNQA-UHFFFAOYSA-N 2 0 341.459 2.876 50 0 EFAARP C[N@H+](Cc1ccc(O[C@@]23CC[NH+](C2)CCC3)cc1)CC1(C)COC1 ZINC000067982088 215266827 /nfs/dbraw/zinc/26/68/27/215266827.db2.gz AIHFIOPMEHVLRW-FQEVSTJZSA-N 2 0 330.472 2.772 50 0 EFAARP C[NH+](C)CCOc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072135159 216023836 /nfs/dbraw/zinc/02/38/36/216023836.db2.gz UJEPZVOZMSUABW-UHFFFAOYSA-N 3 0 331.504 2.593 50 0 EFAARP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072157249 216047259 /nfs/dbraw/zinc/04/72/59/216047259.db2.gz JWYJBNIJBZZPJC-GOSISDBHSA-N 2 0 349.500 2.990 50 0 EFAARP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H]3CC[NH2+]C[C@H]3O)ccc21 ZINC000072162745 216051415 /nfs/dbraw/zinc/05/14/15/216051415.db2.gz BSQFVXZETFHLBT-HRAATJIYSA-N 2 0 337.467 2.874 50 0 EFAARP c1cc(C[C@@H]2CC[C@H](C[N@@H+]3CCCOCC3)O2)ccc1C[NH2+]C1CC1 ZINC000072422507 216211624 /nfs/dbraw/zinc/21/16/24/216211624.db2.gz DBUKLLUQUAUCRZ-LEWJYISDSA-N 2 0 344.499 2.751 50 0 EFAARP C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000072428214 216219681 /nfs/dbraw/zinc/21/96/81/216219681.db2.gz NBHHQKQGIRXRTQ-LJQANCHMSA-N 2 0 343.515 2.593 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072474901 216252552 /nfs/dbraw/zinc/25/25/52/216252552.db2.gz AKGCUXPKBGLHES-GOSISDBHSA-N 2 0 347.503 2.743 50 0 EFAARP C[C@@H](c1cccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)c1)[NH+](C)C ZINC000215337227 241118942 /nfs/dbraw/zinc/11/89/42/241118942.db2.gz MNLDQHHDUAVRFY-SFHVURJKSA-N 3 0 345.531 2.732 50 0 EFAARP COc1ccc(C[N@H+](C)CCn2ccnc2)cc1C[NH+]1CCCC1 ZINC000216238258 241175216 /nfs/dbraw/zinc/17/52/16/241175216.db2.gz ZELRGHFNZNLBCA-UHFFFAOYSA-N 2 0 328.460 2.620 50 0 EFAARP COCC1([N@H+](C)Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)CC1 ZINC000215455483 241124919 /nfs/dbraw/zinc/12/49/19/241124919.db2.gz DWZBAMTZELIPII-UHFFFAOYSA-N 2 0 345.531 2.662 50 0 EFAARP Cc1nc(CN2CC[NH+](CC3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000215652699 241135764 /nfs/dbraw/zinc/13/57/64/241135764.db2.gz DYQMTFRPMUOEBI-UHFFFAOYSA-N 2 0 336.549 2.690 50 0 EFAARP CC[C@@H](c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1)[NH+]1CCCC1 ZINC000020481188 212136907 /nfs/dbraw/zinc/13/69/07/212136907.db2.gz FVEUMSXYNBEFJY-HNNXBMFYSA-N 2 0 327.432 2.633 50 0 EFAARP CC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012373446 211359299 /nfs/dbraw/zinc/35/92/99/211359299.db2.gz CJQCJHAGRMBOSN-IBGZPJMESA-N 2 0 335.536 2.975 50 0 EFAARP Cc1ccc2ncccc2c1C[N@@H+]1C[C@@H](C[NH+](C)C)C[C@H](CO)C1 ZINC000091644003 218037708 /nfs/dbraw/zinc/03/77/08/218037708.db2.gz UFIHPRUZOPPRJF-SJORKVTESA-N 2 0 327.472 2.535 50 0 EFAARP Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000091896106 218086161 /nfs/dbraw/zinc/08/61/61/218086161.db2.gz OIENQMVXBFOLDL-UHFFFAOYSA-N 2 0 343.515 2.761 50 0 EFAARP Fc1cccc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095362348 218295760 /nfs/dbraw/zinc/29/57/60/218295760.db2.gz JLZJKQGDQWXLLI-PWIZWCRZSA-N 2 0 347.453 2.579 50 0 EFAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1 ZINC000095362202 218295918 /nfs/dbraw/zinc/29/59/18/218295918.db2.gz LXRCIBOLMNHLCJ-LEWJYISDSA-N 2 0 327.516 2.884 50 0 EFAARP CN1CCC([N@H+](C)Cc2cccc(OC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000299765664 258080757 /nfs/dbraw/zinc/08/07/57/258080757.db2.gz BNNHLDSEYYCTAP-GOSISDBHSA-N 2 0 331.504 2.591 50 0 EFAARP [NH3+]C[C@@H]1CCCCN1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215071020 303396157 /nfs/dbraw/zinc/39/61/57/303396157.db2.gz MKWVHMCDHBRIAW-IBGZPJMESA-N 2 0 331.504 2.865 50 0 EFAARP O[C@H]1C[C@@H]([C@@H](Cc2ccccn2)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000223735774 304842502 /nfs/dbraw/zinc/84/25/02/304842502.db2.gz HJKRPLDPXYMNID-NSISKUIASA-N 2 0 343.515 2.666 50 0 EFAARP CC(C)CC[N@@H+]1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000014882460 471880931 /nfs/dbraw/zinc/88/09/31/471880931.db2.gz CTHKRVUZPWKKAU-UHFFFAOYSA-N 2 0 332.488 2.884 50 0 EFAARP COc1ccc(F)cc1C[NH+]1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077470692 472533079 /nfs/dbraw/zinc/53/30/79/472533079.db2.gz IOIUQEWHRQXILW-MRXNPFEDSA-N 2 0 349.494 2.682 50 0 EFAARP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749396 472557932 /nfs/dbraw/zinc/55/79/32/472557932.db2.gz YESOJBFCJLVLQL-QGZVFWFLSA-N 2 0 335.467 2.622 50 0 EFAARP c1nc2sc3c(c2c(NCCC24CCC[NH+]2CCC4)n1)CC[NH2+]C3 ZINC000065421149 472938189 /nfs/dbraw/zinc/93/81/89/472938189.db2.gz BNRZYAHJZILGKO-UHFFFAOYSA-N 2 0 343.500 2.767 50 0 EFAARP COc1cc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)ccc1F ZINC000222467783 474169044 /nfs/dbraw/zinc/16/90/44/474169044.db2.gz WHJLPPSUXFAXAB-UHFFFAOYSA-N 2 0 336.451 2.505 50 0 EFAARP C[NH+](C)CC[C@@H]1CCCN(C(=O)CC[NH+]2Cc3ccccc3C2)C1 ZINC000222689065 474173134 /nfs/dbraw/zinc/17/31/34/474173134.db2.gz UMQASASSYOPXPK-KRWDZBQOSA-N 2 0 329.488 2.583 50 0 EFAARP CN(Cc1cccc(C[NH+](C)C)c1)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426442497 477710384 /nfs/dbraw/zinc/71/03/84/477710384.db2.gz GXELYMYBSQBBJX-UHFFFAOYSA-N 2 0 346.519 2.764 50 0 EFAARP C[NH+](C)CC1(O)CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000585136432 479296388 /nfs/dbraw/zinc/29/63/88/479296388.db2.gz FTHQIUZGJRFTQP-UHFFFAOYSA-N 2 0 328.909 2.821 50 0 EFAARP C[NH+](C)CCOc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000215760626 535904080 /nfs/dbraw/zinc/90/40/80/535904080.db2.gz HQUPYNUGEVERPB-UHFFFAOYSA-N 2 0 328.460 2.730 50 0 EFAARP COc1ccc(CN2CCC[N@H+](C)C[C@@H]2C)cc1C[NH+]1CCCC1 ZINC000216281251 545559435 /nfs/dbraw/zinc/55/94/35/545559435.db2.gz WJZTVUNWRSNRMV-KRWDZBQOSA-N 2 0 331.504 2.817 50 0 EFAARP COc1ncc(CNC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000952969632 1284936042 /nfs/dbraw/zinc/93/60/42/1284936042.db2.gz BWPCHNRZNLYGEF-SFHVURJKSA-N 2 0 340.471 2.530 50 0 EFAARP Cc1ccc2[nH]c(CC[NH+]3CCN(c4cc[nH+]cc4C)CC3)nc2c1 ZINC001506406340 1405753777 /nfs/dbraw/zinc/75/37/77/1405753777.db2.gz HBHNWYKCDXIOAI-UHFFFAOYSA-N 2 0 335.455 2.939 50 0 EFAARP Cc1ccc(C[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)o1 ZINC000023582124 718275869 /nfs/dbraw/zinc/27/58/69/718275869.db2.gz DXRYMWNXQCRSIG-MOPGFXCFSA-N 2 0 326.440 2.757 50 0 EFAARP Cc1[nH+]c(CN2CC[NH+](C3Cc4ccccc4C3)CC2)c2ccccn12 ZINC000097775636 219056534 /nfs/dbraw/zinc/05/65/34/219056534.db2.gz KUSZKJMRBGVEER-UHFFFAOYSA-N 2 0 346.478 2.928 50 0 EFAARP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)CC1 ZINC000072132086 282255802 /nfs/dbraw/zinc/25/58/02/282255802.db2.gz FUNTUCZWHSWCRB-FQEVSTJZSA-N 2 0 343.515 2.785 50 0 EFAARP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067714338 215193193 /nfs/dbraw/zinc/19/31/93/215193193.db2.gz PQGXHHOCZIAURX-MRXNPFEDSA-N 2 0 328.460 2.730 50 0 EFAARP Cc1nnc(SCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000067774840 215211284 /nfs/dbraw/zinc/21/12/84/215211284.db2.gz WVFVKQZZHWDQQY-UHFFFAOYSA-N 2 0 326.535 2.841 50 0 EFAARP CCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C3CCCC3)CC2)C1 ZINC000067818438 215220464 /nfs/dbraw/zinc/22/04/64/215220464.db2.gz OGZREDMETRJAQQ-KRWDZBQOSA-N 2 0 335.536 2.879 50 0 EFAARP CN(C)C(=O)CC[C@H]1CCC[N@H+](Cc2cc(C[NH+](C)C)cs2)C1 ZINC000072158310 216048946 /nfs/dbraw/zinc/04/89/46/216048946.db2.gz ZPYHNTORYJAIRU-OAHLLOKOSA-N 2 0 337.533 2.890 50 0 EFAARP O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072162848 216051902 /nfs/dbraw/zinc/05/19/02/216051902.db2.gz PDPBDMCICRJZTG-LJQANCHMSA-N 2 0 349.478 2.624 50 0 EFAARP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072164668 216053508 /nfs/dbraw/zinc/05/35/08/216053508.db2.gz ZKVXLFNMUHHWBS-SFTDATJTSA-N 2 0 349.478 2.583 50 0 EFAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000072165848 216055379 /nfs/dbraw/zinc/05/53/79/216055379.db2.gz RSLHXHSTTCUXQG-MRXNPFEDSA-N 2 0 346.393 2.864 50 0 EFAARP O[C@@]1(C[NH2+]CCc2ccccc2Oc2ccccc2)CCC[NH2+]C1 ZINC000072432834 216227162 /nfs/dbraw/zinc/22/71/62/216227162.db2.gz AUMQATMZBXYENX-FQEVSTJZSA-N 2 0 326.440 2.726 50 0 EFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C)s1)CC[NH+](C)CC2 ZINC000072436118 216230994 /nfs/dbraw/zinc/23/09/94/216230994.db2.gz INBKBNKIEMLWMT-KRWDZBQOSA-N 2 0 349.544 2.869 50 0 EFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cccc(C)c1)CC[NH+](C)CC2 ZINC000072473101 216250827 /nfs/dbraw/zinc/25/08/27/216250827.db2.gz NZHIWJIAUQIDIA-LJQANCHMSA-N 2 0 343.515 2.808 50 0 EFAARP CNc1nc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc(C)[nH+]1 ZINC000072474932 216253147 /nfs/dbraw/zinc/25/31/47/216253147.db2.gz ZUOJQVJMYPQBTC-QGZVFWFLSA-N 2 0 337.471 2.870 50 0 EFAARP C[NH+](C)CCCOc1cccc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000216343489 241182786 /nfs/dbraw/zinc/18/27/86/241182786.db2.gz AUHRTPKWPZIMME-MOPGFXCFSA-N 2 0 331.504 2.686 50 0 EFAARP [NH3+][C@H]1C[C@@H](c2cc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)ncn2)C1 ZINC000244595047 243040481 /nfs/dbraw/zinc/04/04/81/243040481.db2.gz DNRNWXYIUZXVBK-KSZLIROESA-N 2 0 337.471 2.758 50 0 EFAARP C[N@@H+]1CCCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000244873466 243090133 /nfs/dbraw/zinc/09/01/33/243090133.db2.gz WQWIGBJYPYYLBY-HXUWFJFHSA-N 2 0 343.515 2.684 50 0 EFAARP CC[N@@H+]1CCC[C@](C)(CN2CCC([NH+]3CCSCC3)CC2)C1 ZINC000020774497 212169817 /nfs/dbraw/zinc/16/98/17/212169817.db2.gz UVPZAGKPHUWUBL-SFHVURJKSA-N 2 0 325.566 2.622 50 0 EFAARP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000020166471 212108764 /nfs/dbraw/zinc/10/87/64/212108764.db2.gz YMMMZWYEPQOUOK-HXUWFJFHSA-N 2 0 339.487 2.549 50 0 EFAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102728 212100232 /nfs/dbraw/zinc/10/02/32/212100232.db2.gz IUBYKBAXKLXADW-UHFFFAOYSA-N 2 0 337.895 2.620 50 0 EFAARP CC[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000019888841 212079815 /nfs/dbraw/zinc/07/98/15/212079815.db2.gz USBKGYISDSNPIM-UHFFFAOYSA-N 2 0 326.488 2.770 50 0 EFAARP C[C@H](C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1)[NH+](C)C ZINC000077425663 216902216 /nfs/dbraw/zinc/90/22/16/216902216.db2.gz RYWXGQOJRITUJV-GOSISDBHSA-N 2 0 345.531 2.681 50 0 EFAARP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219586 212005623 /nfs/dbraw/zinc/00/56/23/212005623.db2.gz XVNUFHUPJFLQFY-HXUWFJFHSA-N 2 0 339.487 2.822 50 0 EFAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccs2)CC3)CC1 ZINC000012279364 211333155 /nfs/dbraw/zinc/33/31/55/211333155.db2.gz MXKFQWGKBCVPKD-KRWDZBQOSA-N 2 0 347.528 2.514 50 0 EFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCOCCO)CC2)C1 ZINC000091460881 218009628 /nfs/dbraw/zinc/00/96/28/218009628.db2.gz KMBLDGOUOSCRSG-FQEVSTJZSA-N 2 0 346.515 2.587 50 0 EFAARP Cc1nc(NCC2CC[NH+](CCc3ccccc3)CC2)cc(N)[nH+]1 ZINC000091690004 218046534 /nfs/dbraw/zinc/04/65/34/218046534.db2.gz OYSYJZGTHYFEGG-UHFFFAOYSA-N 2 0 325.460 2.734 50 0 EFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)NC)CC2)C1 ZINC000092077026 218116092 /nfs/dbraw/zinc/11/60/92/218116092.db2.gz BPNKZWNKOSJHSP-LJQANCHMSA-N 2 0 343.515 2.714 50 0 EFAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CC[C@@H]1CCC[NH+](C)C1 ZINC000095360882 218294264 /nfs/dbraw/zinc/29/42/64/218294264.db2.gz XXHIWFOVMQXBBZ-INIZCTEOSA-N 2 0 329.488 2.712 50 0 EFAARP O=C(NCCC12CCC[NH+]1CCC2)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095383089 218315540 /nfs/dbraw/zinc/31/55/40/218315540.db2.gz TUSXWAKKGSNXTQ-IBGZPJMESA-N 2 0 341.499 2.902 50 0 EFAARP c1cc(C[NH+]2CCCC2)sc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000097413219 219022827 /nfs/dbraw/zinc/02/28/27/219022827.db2.gz KAFZKAMNZZSYCZ-UHFFFAOYSA-N 2 0 349.544 2.641 50 0 EFAARP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000299785250 258092462 /nfs/dbraw/zinc/09/24/62/258092462.db2.gz YKHFHMBTEOKMPM-MRXNPFEDSA-N 2 0 344.484 2.993 50 0 EFAARP CC(C)([NH3+])CN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072161385 258064554 /nfs/dbraw/zinc/06/45/54/258064554.db2.gz UMIZZZOCDOTKOF-KZNAEPCWSA-N 2 0 335.442 2.564 50 0 EFAARP CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299758377 258076394 /nfs/dbraw/zinc/07/63/94/258076394.db2.gz MFRPKOTYHZEGAL-OTWHNJEPSA-N 2 0 329.488 2.622 50 0 EFAARP O[C@H]1[C@H]([N@@H+]2CCC3(CCCC3)C2)c2ccccc2C12CC[NH2+]CC2 ZINC000023541583 275059606 /nfs/dbraw/zinc/05/96/06/275059606.db2.gz WTEAUUPUBRLMJC-MOPGFXCFSA-N 2 0 326.484 2.990 50 0 EFAARP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)[nH+]1 ZINC000065575955 281246236 /nfs/dbraw/zinc/24/62/36/281246236.db2.gz ABXUUVIMEUTFIT-HOTGVXAUSA-N 2 0 330.476 2.571 50 0 EFAARP C[C@H](C1CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077287499 289408859 /nfs/dbraw/zinc/40/88/59/289408859.db2.gz DXVWIFIDXVBJRO-MRXNPFEDSA-N 2 0 331.508 2.629 50 0 EFAARP Cc1c[nH+]ccc1N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095517646 473218376 /nfs/dbraw/zinc/21/83/76/473218376.db2.gz LDMGACXRZIAYBR-QGZVFWFLSA-N 2 0 327.476 2.922 50 0 EFAARP CCCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012593904 471783934 /nfs/dbraw/zinc/78/39/34/471783934.db2.gz ZYSXTOLCVMNHMV-KRWDZBQOSA-N 2 0 338.492 2.665 50 0 EFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnn(C)c3C)CC2)o1 ZINC000015073457 471888594 /nfs/dbraw/zinc/88/85/94/471888594.db2.gz HYCKBMQBWQBHNB-UHFFFAOYSA-N 2 0 330.476 2.974 50 0 EFAARP CN(CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000039380908 472022950 /nfs/dbraw/zinc/02/29/50/472022950.db2.gz JVRLBFMOZAYPDG-INIZCTEOSA-N 2 0 341.446 2.746 50 0 EFAARP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)CC1 ZINC000072132085 472631617 /nfs/dbraw/zinc/63/16/17/472631617.db2.gz FUNTUCZWHSWCRB-HXUWFJFHSA-N 2 0 343.515 2.785 50 0 EFAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1 ZINC000091997628 472839042 /nfs/dbraw/zinc/83/90/42/472839042.db2.gz XIEOELKMMAJPEW-UHFFFAOYSA-N 2 0 341.499 2.555 50 0 EFAARP CN1CCN2CC[N@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000248091204 474259800 /nfs/dbraw/zinc/25/98/00/474259800.db2.gz VJGQEVQPAUCVFP-OAQYLSRUSA-N 2 0 335.495 2.750 50 0 EFAARP O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299783984 476153833 /nfs/dbraw/zinc/15/38/33/476153833.db2.gz KTCWLYVMHKRUAZ-ZCNNSNEGSA-N 2 0 341.499 2.814 50 0 EFAARP COc1ccc(CC[C@H](C)[NH+]2CCC(CO)(C[NH+](C)C)CC2)cc1 ZINC001772708207 1249294607 /nfs/dbraw/zinc/29/46/07/1249294607.db2.gz AMHCCRJRFWDHJE-KRWDZBQOSA-N 2 0 334.504 2.652 50 0 EFAARP CN1CC[N@H+](Cc2ccc([C@@H]3CCCO3)s2)CC12CC[NH+](C)CC2 ZINC000823770303 1265427871 /nfs/dbraw/zinc/42/78/71/1265427871.db2.gz UNLBQMBVBYKIBS-KRWDZBQOSA-N 2 0 349.544 2.811 50 0 EFAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnc[nH]3)CC2)cc1 ZINC000012446591 1265161175 /nfs/dbraw/zinc/16/11/75/1265161175.db2.gz DAFDPTYQKDUPHV-UHFFFAOYSA-N 2 0 342.487 2.805 50 0 EFAARP CC[C@@H](C)Sc1ncc(C[NH2+]CCNc2cc[nH+]cc2C)cn1 ZINC000952972430 1284943593 /nfs/dbraw/zinc/94/35/93/1284943593.db2.gz OTXMACCLRUQCPY-CQSZACIVSA-N 2 0 331.489 2.694 50 0 EFAARP Cc1cc(F)ccc1N1CCC([N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)CC1 ZINC001506424320 1405762920 /nfs/dbraw/zinc/76/29/20/1405762920.db2.gz KNQJXLYTIUHEJH-KRWDZBQOSA-N 2 0 349.494 2.613 50 0 EFAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000022241647 714112936 /nfs/dbraw/zinc/11/29/36/714112936.db2.gz MJQLBCVEMRBZGG-GOSISDBHSA-N 2 0 345.531 2.960 50 0 EFAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000022241650 714112988 /nfs/dbraw/zinc/11/29/88/714112988.db2.gz MJQLBCVEMRBZGG-SFHVURJKSA-N 2 0 345.531 2.960 50 0 EFAARP