smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000514291039 1066230949 /nfs/dbraw/zinc/23/09/49/1066230949.db2.gz CORAYXATBBAXNN-UHFFFAOYSA-N 1 0 518.636 2.040 20 0 KEADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c(=O)n2Cc1ccccc1 ZINC000514292063 1066265186 /nfs/dbraw/zinc/26/51/86/1066265186.db2.gz JWBWTIBUKCGNBP-RUZDIDTESA-N 1 0 560.655 2.016 20 0 KEADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c(=O)n2Cc1ccccc1 ZINC000514292065 1066265315 /nfs/dbraw/zinc/26/53/15/1066265315.db2.gz JWBWTIBUKCGNBP-VWLOTQADSA-N 1 0 560.655 2.016 20 0 KEADRO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)c1ccccc1 ZINC000514292756 1066233007 /nfs/dbraw/zinc/23/30/07/1066233007.db2.gz MJFCUVDEWMYISL-NRFANRHFSA-N 1 0 530.670 2.146 20 0 KEADRO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)c1ccccc1 ZINC000514292757 1066232894 /nfs/dbraw/zinc/23/28/94/1066232894.db2.gz MJFCUVDEWMYISL-OAQYLSRUSA-N 1 0 530.670 2.146 20 0 KEADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C(C)=O)CC4)c3)c(C)c2)CC1 ZINC000514292796 1066232688 /nfs/dbraw/zinc/23/26/88/1066232688.db2.gz NCPURUKFRAMYQK-UHFFFAOYSA-N 1 0 513.664 2.242 20 0 KEADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)c(C(=O)OC)c1C ZINC000514293162 1066231392 /nfs/dbraw/zinc/23/13/92/1066231392.db2.gz QQMRILVTQRORPP-UHFFFAOYSA-N 1 0 543.708 2.411 20 0 KEADRO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCC2)cc1 ZINC000514293738 1066234205 /nfs/dbraw/zinc/23/42/05/1066234205.db2.gz XHALFKXDHBWWPZ-JOCHJYFZSA-N 1 0 503.621 2.292 20 0 KEADRO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCC2)cc1 ZINC000514293739 1066234037 /nfs/dbraw/zinc/23/40/37/1066234037.db2.gz XHALFKXDHBWWPZ-QFIPXVFZSA-N 1 0 503.621 2.292 20 0 KEADRO COc1ccccc1[C@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000514295250 1066238240 /nfs/dbraw/zinc/23/82/40/1066238240.db2.gz AXBQWVFJMKNTJN-DEOSSOPVSA-N 1 0 528.675 2.262 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000514295253 1066238060 /nfs/dbraw/zinc/23/80/60/1066238060.db2.gz DPQNCMWMLUOUAL-UHFFFAOYSA-N 1 0 593.772 2.132 20 0 KEADRO COc1ccccc1[C@@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000514295254 1066238165 /nfs/dbraw/zinc/23/81/65/1066238165.db2.gz AXBQWVFJMKNTJN-XMMPIXPASA-N 1 0 528.675 2.262 20 0 KEADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(=O)[nH]c1=O ZINC000514295780 1066241825 /nfs/dbraw/zinc/24/18/25/1066241825.db2.gz KQEGZMATQZTTAJ-FQEVSTJZSA-N 1 0 549.072 2.307 20 0 KEADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(=O)[nH]c1=O ZINC000514295785 1066241535 /nfs/dbraw/zinc/24/15/35/1066241535.db2.gz KQEGZMATQZTTAJ-HXUWFJFHSA-N 1 0 549.072 2.307 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000514296139 1066240993 /nfs/dbraw/zinc/24/09/93/1066240993.db2.gz JZZDUUVIJGVAEB-FQEVSTJZSA-N 1 0 576.119 2.494 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000514296143 1066240936 /nfs/dbraw/zinc/24/09/36/1066240936.db2.gz JZZDUUVIJGVAEB-HXUWFJFHSA-N 1 0 576.119 2.494 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC000514296145 1066240334 /nfs/dbraw/zinc/24/03/34/1066240334.db2.gz KAEDFTAYHMEUBO-UHFFFAOYSA-N 1 0 546.690 2.438 20 0 KEADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c(C(=O)OC)c1C ZINC000514296827 1066245921 /nfs/dbraw/zinc/24/59/21/1066245921.db2.gz QMTFMERXNKAYJM-IBGZPJMESA-N 1 0 551.687 2.450 20 0 KEADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c(C(=O)OC)c1C ZINC000514296829 1066246053 /nfs/dbraw/zinc/24/60/53/1066246053.db2.gz QMTFMERXNKAYJM-LJQANCHMSA-N 1 0 551.687 2.450 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000514297050 1066244851 /nfs/dbraw/zinc/24/48/51/1066244851.db2.gz RLQULNQIGQJASQ-UHFFFAOYSA-N 1 0 545.687 2.146 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)c1 ZINC000514297702 1066252236 /nfs/dbraw/zinc/25/22/36/1066252236.db2.gz ZLEVQNUMORYTEH-UHFFFAOYSA-N 1 0 502.641 2.209 20 0 KEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)ccc1C ZINC000514298024 1066252189 /nfs/dbraw/zinc/25/21/89/1066252189.db2.gz ZLBQCXOIEQRXJR-UHFFFAOYSA-N 1 0 607.799 2.441 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000514298793 1066255652 /nfs/dbraw/zinc/25/56/52/1066255652.db2.gz GCYSIRZRDAYHEV-FQEVSTJZSA-N 1 0 531.679 2.439 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000514298794 1066255729 /nfs/dbraw/zinc/25/57/29/1066255729.db2.gz GCYSIRZRDAYHEV-HXUWFJFHSA-N 1 0 531.679 2.439 20 0 KEADRO CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000514298918 1066255066 /nfs/dbraw/zinc/25/50/66/1066255066.db2.gz ASSBAKIIBMCQDE-HSZRJFAPSA-N 1 0 554.779 2.330 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000514298920 1066255079 /nfs/dbraw/zinc/25/50/79/1066255079.db2.gz BGVIVJXRAYTNGU-GOSISDBHSA-N 1 0 634.553 2.235 20 0 KEADRO CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000514298921 1066255276 /nfs/dbraw/zinc/25/52/76/1066255276.db2.gz ASSBAKIIBMCQDE-QHCPKHFHSA-N 1 0 554.779 2.330 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000514298923 1066255141 /nfs/dbraw/zinc/25/51/41/1066255141.db2.gz BGVIVJXRAYTNGU-SFHVURJKSA-N 1 0 634.553 2.235 20 0 KEADRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000514298989 1066255881 /nfs/dbraw/zinc/25/58/81/1066255881.db2.gz CANSILZCLNWMAX-JOCHJYFZSA-N 1 0 521.083 2.242 20 0 KEADRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000514298991 1066254499 /nfs/dbraw/zinc/25/44/99/1066254499.db2.gz CANSILZCLNWMAX-QFIPXVFZSA-N 1 0 521.083 2.242 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000514299279 1066254704 /nfs/dbraw/zinc/25/47/04/1066254704.db2.gz JPHDBCFXNVZHTB-UHFFFAOYSA-N 1 0 645.848 2.378 20 0 KEADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CNS(=O)(=O)c1ccc3c(c1)OCCCO3)c1ccccc1O2 ZINC000514299339 1066256363 /nfs/dbraw/zinc/25/63/63/1066256363.db2.gz LVMPINRVVVHMOF-FQEVSTJZSA-N 1 0 501.605 2.231 20 0 KEADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc3c(c1)OCCCO3)c1ccccc1O2 ZINC000514299340 1066256376 /nfs/dbraw/zinc/25/63/76/1066256376.db2.gz LVMPINRVVVHMOF-HXUWFJFHSA-N 1 0 501.605 2.231 20 0 KEADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000514299726 1066258530 /nfs/dbraw/zinc/25/85/30/1066258530.db2.gz PQGIQCFISQOWLM-JOCHJYFZSA-N 1 0 500.621 2.418 20 0 KEADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000514299727 1066258664 /nfs/dbraw/zinc/25/86/64/1066258664.db2.gz PQGIQCFISQOWLM-QFIPXVFZSA-N 1 0 500.621 2.418 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2c(C)noc2C)CC1 ZINC000514299734 1066258647 /nfs/dbraw/zinc/25/86/47/1066258647.db2.gz PZXXXUMEXVKXOQ-UHFFFAOYSA-N 1 0 505.641 2.026 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2cccc(OC)c2OC)CC1 ZINC000514299829 1066258543 /nfs/dbraw/zinc/25/85/43/1066258543.db2.gz JLDVFGQEMHTFCG-UHFFFAOYSA-N 1 0 546.690 2.438 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OC)cc1 ZINC000514299979 1066258165 /nfs/dbraw/zinc/25/81/65/1066258165.db2.gz JSUDFIVXXUWYGR-HNNXBMFYSA-N 1 0 583.685 2.357 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OC)cc1 ZINC000514299980 1066258082 /nfs/dbraw/zinc/25/80/82/1066258082.db2.gz JSUDFIVXXUWYGR-OAHLLOKOSA-N 1 0 583.685 2.357 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 ZINC000514300101 1066257472 /nfs/dbraw/zinc/25/74/72/1066257472.db2.gz SUFQFGKTQAUDDB-UHFFFAOYSA-N 1 0 581.761 2.370 20 0 KEADRO O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000514300353 1066271258 /nfs/dbraw/zinc/27/12/58/1066271258.db2.gz POJCXCZVRMQFEB-UHFFFAOYSA-N 1 0 503.713 2.315 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(COC)c2)CC1 ZINC000514300371 1066271339 /nfs/dbraw/zinc/27/13/39/1066271339.db2.gz MOFGUVJZFILYND-UHFFFAOYSA-N 1 0 502.637 2.248 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000514300600 1066264162 /nfs/dbraw/zinc/26/41/62/1066264162.db2.gz ZIPNJTKHKPVTIK-UHFFFAOYSA-N 1 0 526.663 2.208 20 0 KEADRO CCn1c(CCC(=O)NCc2ccc(C[NH+](C)C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514301069 1066262097 /nfs/dbraw/zinc/26/20/97/1066262097.db2.gz UENPJXCOJIIBMA-UHFFFAOYSA-N 1 0 513.664 2.388 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514301280 1066261015 /nfs/dbraw/zinc/26/10/15/1066261015.db2.gz ZKMUSDOZCZESKN-UHFFFAOYSA-N 1 0 530.647 2.263 20 0 KEADRO CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCC[NH+](C)C)n2[C@H](C)COC)c1 ZINC000514301940 1066272436 /nfs/dbraw/zinc/27/24/36/1066272436.db2.gz IRNGZGGTBQRCLM-GOSISDBHSA-N 1 0 526.729 2.343 20 0 KEADRO CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCC[NH+](C)C)n2[C@@H](C)COC)c1 ZINC000514301941 1066272562 /nfs/dbraw/zinc/27/25/62/1066272562.db2.gz IRNGZGGTBQRCLM-SFHVURJKSA-N 1 0 526.729 2.343 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000514301951 1066272505 /nfs/dbraw/zinc/27/25/05/1066272505.db2.gz JAUHAMJKRBXSAZ-UHFFFAOYSA-N 1 0 541.674 2.450 20 0 KEADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c(=O)n2Cc1ccccc1 ZINC000514302149 1066272001 /nfs/dbraw/zinc/27/20/01/1066272001.db2.gz BZHAKXUZAFHEEM-DEOSSOPVSA-N 1 0 530.629 2.008 20 0 KEADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c(=O)n2Cc1ccccc1 ZINC000514302150 1066272018 /nfs/dbraw/zinc/27/20/18/1066272018.db2.gz BZHAKXUZAFHEEM-XMMPIXPASA-N 1 0 530.629 2.008 20 0 KEADRO CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000514303379 1066269781 /nfs/dbraw/zinc/26/97/81/1066269781.db2.gz LINUBHBPMRMKQT-UHFFFAOYSA-N 1 0 516.664 2.429 20 0 KEADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514303704 1066269298 /nfs/dbraw/zinc/26/92/98/1066269298.db2.gz YDJIMZHITWYVDO-UHFFFAOYSA-N 1 0 570.695 2.277 20 0 KEADRO COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)[NH+]2CCCC2)cc1 ZINC000514376652 1066283144 /nfs/dbraw/zinc/28/31/44/1066283144.db2.gz DPUXMMOYNVXQEL-HSZRJFAPSA-N 1 0 533.647 2.300 20 0 KEADRO COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)[NH+]2CCCC2)cc1 ZINC000514376653 1066282988 /nfs/dbraw/zinc/28/29/88/1066282988.db2.gz DPUXMMOYNVXQEL-QHCPKHFHSA-N 1 0 533.647 2.300 20 0 KEADRO COc1cccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)[NH+]2CCCC2)c1 ZINC000514378855 1066288983 /nfs/dbraw/zinc/28/89/83/1066288983.db2.gz JDRRATMXUBKKJQ-RUZDIDTESA-N 1 0 516.664 2.349 20 0 KEADRO COc1cccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)[NH+]2CCCC2)c1 ZINC000514378856 1066288909 /nfs/dbraw/zinc/28/89/09/1066288909.db2.gz JDRRATMXUBKKJQ-VWLOTQADSA-N 1 0 516.664 2.349 20 0 KEADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c(C(=O)OC)c1C ZINC000514379343 1066287934 /nfs/dbraw/zinc/28/79/34/1066287934.db2.gz SKAPZNNBJVSFSZ-UHFFFAOYSA-N 1 0 543.708 2.456 20 0 KEADRO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)c1C ZINC000514379574 1066294457 /nfs/dbraw/zinc/29/44/57/1066294457.db2.gz FBIUGBGKSGIFFW-UHFFFAOYSA-N 1 0 547.678 2.223 20 0 KEADRO O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000514379604 1066293748 /nfs/dbraw/zinc/29/37/48/1066293748.db2.gz AQAXEYSAIVNQEN-UHFFFAOYSA-N 1 0 584.805 2.461 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000514379947 1066292743 /nfs/dbraw/zinc/29/27/43/1066292743.db2.gz FSLBWYCMBDHMHJ-UHFFFAOYSA-N 1 0 518.636 2.119 20 0 KEADRO CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000514380047 1066292250 /nfs/dbraw/zinc/29/22/50/1066292250.db2.gz DHTVDYWGFCLPCO-BJKOFHAPSA-N 1 0 578.757 2.495 20 0 KEADRO CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000514380049 1066292164 /nfs/dbraw/zinc/29/21/64/1066292164.db2.gz DHTVDYWGFCLPCO-DNQXCXABSA-N 1 0 578.757 2.495 20 0 KEADRO CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000514380051 1066291974 /nfs/dbraw/zinc/29/19/74/1066291974.db2.gz DHTVDYWGFCLPCO-RPWUZVMVSA-N 1 0 578.757 2.495 20 0 KEADRO CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000514380053 1066292292 /nfs/dbraw/zinc/29/22/92/1066292292.db2.gz DHTVDYWGFCLPCO-ZEQRLZLVSA-N 1 0 578.757 2.495 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514380128 1066291489 /nfs/dbraw/zinc/29/14/89/1066291489.db2.gz FZPUTGWNQOTDRO-PMACEKPBSA-N 1 0 552.719 2.416 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514380129 1066291684 /nfs/dbraw/zinc/29/16/84/1066291684.db2.gz FZPUTGWNQOTDRO-UXHICEINSA-N 1 0 552.719 2.416 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514380130 1066291662 /nfs/dbraw/zinc/29/16/62/1066291662.db2.gz FZPUTGWNQOTDRO-VQTJNVASSA-N 1 0 552.719 2.416 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514380131 1066291557 /nfs/dbraw/zinc/29/15/57/1066291557.db2.gz FZPUTGWNQOTDRO-WOJBJXKFSA-N 1 0 552.719 2.416 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(C)cc2OC)CC1 ZINC000514380338 1066291097 /nfs/dbraw/zinc/29/10/97/1066291097.db2.gz MFGQXMYUYIAWSC-UHFFFAOYSA-N 1 0 532.663 2.184 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000514380573 1066277166 /nfs/dbraw/zinc/27/71/66/1066277166.db2.gz PRMJMLRWJKNMIU-UHFFFAOYSA-N 1 0 608.559 2.371 20 0 KEADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)c1 ZINC000514380640 1066276663 /nfs/dbraw/zinc/27/66/63/1066276663.db2.gz REJMZQGAOUIYAT-UHFFFAOYSA-N 1 0 593.772 2.132 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccc(OC)cc2)CC1 ZINC000514380646 1066276559 /nfs/dbraw/zinc/27/65/59/1066276559.db2.gz RGVXFNJSGDOVFF-UHFFFAOYSA-N 1 0 516.664 2.429 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000514380659 1066277063 /nfs/dbraw/zinc/27/70/63/1066277063.db2.gz RUKLMDVNGYAXPR-UHFFFAOYSA-N 1 0 619.810 2.197 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000514380727 1066276581 /nfs/dbraw/zinc/27/65/81/1066276581.db2.gz OGAGQKQFJFTWHH-DEOSSOPVSA-N 1 0 516.664 2.409 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000514380728 1066276508 /nfs/dbraw/zinc/27/65/08/1066276508.db2.gz OGAGQKQFJFTWHH-XMMPIXPASA-N 1 0 516.664 2.409 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000514380828 1066275424 /nfs/dbraw/zinc/27/54/24/1066275424.db2.gz VGHIGQNPNGUCNM-DEOSSOPVSA-N 1 0 569.728 2.145 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000514380829 1066275365 /nfs/dbraw/zinc/27/53/65/1066275365.db2.gz VGHIGQNPNGUCNM-XMMPIXPASA-N 1 0 569.728 2.145 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 ZINC000514380881 1066275314 /nfs/dbraw/zinc/27/53/14/1066275314.db2.gz XAEURAASGURDKN-UHFFFAOYSA-N 1 0 607.689 2.491 20 0 KEADRO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000514380987 1066274788 /nfs/dbraw/zinc/27/47/88/1066274788.db2.gz UTOALJQZRWDTLJ-UHFFFAOYSA-N 1 0 541.114 2.104 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(OC)ccc2OC)CC1 ZINC000514381497 1066294905 /nfs/dbraw/zinc/29/49/05/1066294905.db2.gz HDFUZMHEJLVVFF-UHFFFAOYSA-N 1 0 518.636 2.119 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)c1 ZINC000514381706 1066325399 /nfs/dbraw/zinc/32/53/99/1066325399.db2.gz OXPKTJRMAKOEFM-UHFFFAOYSA-N 1 0 510.060 2.313 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000514381996 1066325113 /nfs/dbraw/zinc/32/51/13/1066325113.db2.gz COLBWMOQNGFRFN-UHFFFAOYSA-N 1 0 526.663 2.208 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000514382393 1066295974 /nfs/dbraw/zinc/29/59/74/1066295974.db2.gz MIVACYBUMUOGBK-UHFFFAOYSA-N 1 0 527.647 2.337 20 0 KEADRO COc1cccc([C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[NH+](C)C)c1 ZINC000514382987 1066296944 /nfs/dbraw/zinc/29/69/44/1066296944.db2.gz AKWDRHDKWNSBJQ-HSZRJFAPSA-N 1 0 537.082 2.381 20 0 KEADRO COc1cccc([C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[NH+](C)C)c1 ZINC000514382988 1066297135 /nfs/dbraw/zinc/29/71/35/1066297135.db2.gz AKWDRHDKWNSBJQ-QHCPKHFHSA-N 1 0 537.082 2.381 20 0 KEADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000514383057 1066297126 /nfs/dbraw/zinc/29/71/26/1066297126.db2.gz BPXLWYQKWCMFJD-DEOSSOPVSA-N 1 0 516.664 2.409 20 0 KEADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000514383059 1066297099 /nfs/dbraw/zinc/29/70/99/1066297099.db2.gz BPXLWYQKWCMFJD-XMMPIXPASA-N 1 0 516.664 2.409 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000514383144 1066296708 /nfs/dbraw/zinc/29/67/08/1066296708.db2.gz ZJMJXLRJZJKLEK-UHFFFAOYSA-N 1 0 607.799 2.441 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2nn(-c3ccccc3)cc2OC)CC1 ZINC000514383392 1066301274 /nfs/dbraw/zinc/30/12/74/1066301274.db2.gz DABPHQBAXKEDSY-UHFFFAOYSA-N 1 0 554.673 2.296 20 0 KEADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)c(C)c2)CC1 ZINC000514383393 1066301093 /nfs/dbraw/zinc/30/10/93/1066301093.db2.gz DAKKQZGMCZXNDQ-UHFFFAOYSA-N 1 0 513.664 2.242 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000514384273 1066299017 /nfs/dbraw/zinc/29/90/17/1066299017.db2.gz MKZUUPGSBXTTSQ-UHFFFAOYSA-N 1 0 555.701 2.224 20 0 KEADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCc2ccc(C[NH+](C)C)cc2)c(=O)[nH]c1=O ZINC000514384835 1066303925 /nfs/dbraw/zinc/30/39/25/1066303925.db2.gz ZGBCDLZUWNKFHT-UHFFFAOYSA-N 1 0 500.644 2.478 20 0 KEADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000514384936 1066302707 /nfs/dbraw/zinc/30/27/07/1066302707.db2.gz XHVVPMQZZMMUHH-UHFFFAOYSA-N 1 0 518.636 2.040 20 0 KEADRO COc1cccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)[NH+]2CCCC2)c1 ZINC000514385146 1066301768 /nfs/dbraw/zinc/30/17/68/1066301768.db2.gz ZTYMSVYRWVRSAK-RUZDIDTESA-N 1 0 514.648 2.115 20 0 KEADRO COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)[NH+]2CCCC2)c1 ZINC000514385147 1066301606 /nfs/dbraw/zinc/30/16/06/1066301606.db2.gz ZTYMSVYRWVRSAK-VWLOTQADSA-N 1 0 514.648 2.115 20 0 KEADRO CCCCCN(C(=O)CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514385161 1066301557 /nfs/dbraw/zinc/30/15/57/1066301557.db2.gz AHILAOGFRQKOLE-UHFFFAOYSA-N 1 0 513.643 2.378 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000514386038 1066306443 /nfs/dbraw/zinc/30/64/43/1066306443.db2.gz ZPETVBUPQJIANC-UHFFFAOYSA-N 1 0 541.674 2.229 20 0 KEADRO O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000514386759 1066310058 /nfs/dbraw/zinc/31/00/58/1066310058.db2.gz AYDYHLXLJXWPLE-UHFFFAOYSA-N 1 0 549.719 2.054 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000514388112 1066312695 /nfs/dbraw/zinc/31/26/95/1066312695.db2.gz UZLUEQZVGRXDHX-UHFFFAOYSA-N 1 0 578.091 2.440 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000514389013 1066315353 /nfs/dbraw/zinc/31/53/53/1066315353.db2.gz XJIJKJDEYZTHEK-UHFFFAOYSA-N 1 0 546.738 2.500 20 0 KEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O ZINC000514389539 1066319414 /nfs/dbraw/zinc/31/94/14/1066319414.db2.gz JABSICXQZHGKPP-UHFFFAOYSA-N 1 0 532.645 2.213 20 0 KEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000514389825 1066319379 /nfs/dbraw/zinc/31/93/79/1066319379.db2.gz NXGCCVRTJVIZOS-IBGZPJMESA-N 1 0 507.575 2.459 20 0 KEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000514389826 1066319521 /nfs/dbraw/zinc/31/95/21/1066319521.db2.gz NXGCCVRTJVIZOS-LJQANCHMSA-N 1 0 507.575 2.459 20 0 KEADRO C[NH+](C)CCCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000514389879 1066318980 /nfs/dbraw/zinc/31/89/80/1066318980.db2.gz QBEZWFFSYAABFG-UHFFFAOYSA-N 1 0 530.676 2.443 20 0 KEADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O ZINC000514390321 1066317940 /nfs/dbraw/zinc/31/79/40/1066317940.db2.gz GADHFPUVIPMKNX-UHFFFAOYSA-N 1 0 549.072 2.135 20 0 KEADRO Cn1c(CCC(=O)NCCC[N@H+](C)Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514390538 1066321381 /nfs/dbraw/zinc/32/13/81/1066321381.db2.gz NJPUVVXBIIXIQY-UHFFFAOYSA-N 1 0 513.664 2.165 20 0 KEADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1)Nc1ccccc1C(F)(F)F ZINC000514392508 1066340899 /nfs/dbraw/zinc/34/08/99/1066340899.db2.gz YDFZXLGNMYWABH-UHFFFAOYSA-N 1 0 509.573 2.123 20 0 KEADRO O=C(CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514392599 1066340182 /nfs/dbraw/zinc/34/01/82/1066340182.db2.gz YUALQQXTGJUSOJ-UHFFFAOYSA-N 1 0 514.648 2.389 20 0 KEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Br)cc3)cn2)CC1 ZINC000514393920 1066343004 /nfs/dbraw/zinc/34/30/04/1066343004.db2.gz BEYLKEQIPBNLLM-IBGZPJMESA-N 1 0 508.442 2.388 20 0 KEADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Br)cc3)cn2)CC1 ZINC000514393921 1066342723 /nfs/dbraw/zinc/34/27/23/1066342723.db2.gz BEYLKEQIPBNLLM-LJQANCHMSA-N 1 0 508.442 2.388 20 0 KEADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000514393978 1066342386 /nfs/dbraw/zinc/34/23/86/1066342386.db2.gz DHKVQNDGGUABEC-DEOSSOPVSA-N 1 0 576.741 2.341 20 0 KEADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000514393979 1066342282 /nfs/dbraw/zinc/34/22/82/1066342282.db2.gz DHKVQNDGGUABEC-XMMPIXPASA-N 1 0 576.741 2.341 20 0 KEADRO Cn1c(CCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514394218 1066341785 /nfs/dbraw/zinc/34/17/85/1066341785.db2.gz JSVVOIKIEXPIRJ-UHFFFAOYSA-N 1 0 525.675 2.261 20 0 KEADRO COc1cccc([C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[NH+]2CCCC2)c1 ZINC000514394757 1066346957 /nfs/dbraw/zinc/34/69/57/1066346957.db2.gz ROSXACHCZWJSBZ-RUZDIDTESA-N 1 0 528.675 2.262 20 0 KEADRO COc1cccc([C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[NH+]2CCCC2)c1 ZINC000514394758 1066346606 /nfs/dbraw/zinc/34/66/06/1066346606.db2.gz ROSXACHCZWJSBZ-VWLOTQADSA-N 1 0 528.675 2.262 20 0 KEADRO COc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)NCC[NH+](C(C)C)C(C)C)cc2)ccc1NC(C)=O ZINC000514394847 1066346373 /nfs/dbraw/zinc/34/63/73/1066346373.db2.gz UQHWWSSVFFALFE-UHFFFAOYSA-N 1 0 547.678 2.419 20 0 KEADRO O=C(CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000514395470 1066348748 /nfs/dbraw/zinc/34/87/48/1066348748.db2.gz LIRBKYFYHZXJQT-UHFFFAOYSA-N 1 0 508.994 2.408 20 0 KEADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000514400846 1066327953 /nfs/dbraw/zinc/32/79/53/1066327953.db2.gz CFZMYANZNHOYAN-UHFFFAOYSA-N 1 0 534.723 2.463 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2c(C)oc3ncn(C)c(=O)c32)c1 ZINC000514401513 1066330884 /nfs/dbraw/zinc/33/08/84/1066330884.db2.gz XOTCFEZHUDYEKG-UHFFFAOYSA-N 1 0 530.651 2.260 20 0 KEADRO Cc1c(NS(=O)(=O)c2ccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000514402410 1066334312 /nfs/dbraw/zinc/33/43/12/1066334312.db2.gz ILZVPWSEEOUARM-UHFFFAOYSA-N 1 0 552.701 2.139 20 0 KEADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCN2C(=O)CSc3ccccc32)CC1 ZINC000514403098 1066331788 /nfs/dbraw/zinc/33/17/88/1066331788.db2.gz IAHAVDKRRHASLC-UHFFFAOYSA-N 1 0 573.741 2.317 20 0 KEADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000514405045 1066349282 /nfs/dbraw/zinc/34/92/82/1066349282.db2.gz QZOPWVQTHTVSHT-UHFFFAOYSA-N 1 0 526.663 2.483 20 0 KEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000514405142 1066349255 /nfs/dbraw/zinc/34/92/55/1066349255.db2.gz QRIYDNMIKRUVOH-UHFFFAOYSA-N 1 0 527.647 2.468 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000514405527 1066352345 /nfs/dbraw/zinc/35/23/45/1066352345.db2.gz XHBHTXRFUVOWIK-FGZHOGPDSA-N 1 0 547.722 2.363 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000514405529 1066352282 /nfs/dbraw/zinc/35/22/82/1066352282.db2.gz XHBHTXRFUVOWIK-SZPZYZBQSA-N 1 0 547.722 2.363 20 0 KEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000514405530 1066352316 /nfs/dbraw/zinc/35/23/16/1066352316.db2.gz XHBHTXRFUVOWIK-VXKWHMMOSA-N 1 0 547.722 2.363 20 0 KEADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000593827640 1066356408 /nfs/dbraw/zinc/35/64/08/1066356408.db2.gz LGXCPDOMRRSTDM-FQEVSTJZSA-N 1 0 500.003 2.054 20 0 KEADRO O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000593827641 1066356297 /nfs/dbraw/zinc/35/62/97/1066356297.db2.gz LGXCPDOMRRSTDM-HXUWFJFHSA-N 1 0 500.003 2.054 20 0 KEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739962 720835352 /nfs/dbraw/zinc/83/53/52/720835352.db2.gz BDQKBGSCYISGHA-FGTMMUONSA-N 1 0 500.007 2.014 20 0 KEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739963 720835645 /nfs/dbraw/zinc/83/56/45/720835645.db2.gz BDQKBGSCYISGHA-KZNAEPCWSA-N 1 0 500.007 2.014 20 0 KEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739964 720835617 /nfs/dbraw/zinc/83/56/17/720835617.db2.gz BDQKBGSCYISGHA-OKZBNKHCSA-N 1 0 500.007 2.014 20 0 KEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739965 720835397 /nfs/dbraw/zinc/83/53/97/720835397.db2.gz BDQKBGSCYISGHA-RCCFBDPRSA-N 1 0 500.007 2.014 20 0 KEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001165676348 1066427785 /nfs/dbraw/zinc/42/77/85/1066427785.db2.gz BDQKBGSCYISGHA-SQNIBIBYSA-N 1 0 500.007 2.014 20 0 KEADRO CN1CC[NH+](C2(c3ccc(Nc4nc(Cl)nc5c4ncn5[C@H]4C[C@H](O)[C@@H](CO)O4)cc3)CC2)CC1 ZINC001205096406 1066428452 /nfs/dbraw/zinc/42/84/52/1066428452.db2.gz GYWYVSKGXFIXNX-IPMKNSEASA-N 1 0 500.003 2.101 20 0 KEADRO NC(=O)c1ccncc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220741831 1066428418 /nfs/dbraw/zinc/42/84/18/1066428418.db2.gz SAEIFLGFKMAFHX-JYFHCDHNSA-N 1 0 500.555 2.331 20 0 KEADRO NC(=O)c1ccncc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220741832 1066428345 /nfs/dbraw/zinc/42/83/45/1066428345.db2.gz SAEIFLGFKMAFHX-OZXSUGGESA-N 1 0 500.555 2.331 20 0 KEADRO NC(=O)c1cccnc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742758 1066428428 /nfs/dbraw/zinc/42/84/28/1066428428.db2.gz ZNPICZIMGWCAKW-BKMJKUGQSA-N 1 0 500.555 2.331 20 0 KEADRO NC(=O)c1cccnc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742760 1066428484 /nfs/dbraw/zinc/42/84/84/1066428484.db2.gz ZNPICZIMGWCAKW-NVQXNPDNSA-N 1 0 500.555 2.331 20 0 KEADRO