smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC2)C1=O ZINC001164644308 719283354 /nfs/dbraw/zinc/28/33/54/719283354.db2.gz HTOLZZUEBDNQCQ-UHFFFAOYSA-N 1 2 444.967 2.260 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC2)C1=O ZINC001164644308 719283356 /nfs/dbraw/zinc/28/33/56/719283356.db2.gz HTOLZZUEBDNQCQ-UHFFFAOYSA-N 1 2 444.967 2.260 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)c(-c4ccccc4F)n3)CC2)C1=O ZINC001164644116 719284512 /nfs/dbraw/zinc/28/45/12/719284512.db2.gz DODSLOAEPHDTBV-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)c(-c4ccccc4F)n3)CC2)C1=O ZINC001164644116 719284516 /nfs/dbraw/zinc/28/45/16/719284516.db2.gz DODSLOAEPHDTBV-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164701304 719852649 /nfs/dbraw/zinc/85/26/49/719852649.db2.gz KAPQOYHLSZJHFR-KBXCAEBGSA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(OCc2ccccc2)n1 ZINC001164700079 719853475 /nfs/dbraw/zinc/85/34/75/719853475.db2.gz GDVZKMLECCQTHO-AUSIDOKSSA-N 1 2 426.517 2.288 20 0 IEADLO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702489 719853826 /nfs/dbraw/zinc/85/38/26/719853826.db2.gz NKMSKGRBRLLNRG-SBUREZEXSA-N 1 2 442.516 2.039 20 0 IEADLO CCOC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ccc1Cl ZINC001164701761 719863914 /nfs/dbraw/zinc/86/39/14/719863914.db2.gz HIURINLXDYPWPW-XOBRGWDASA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC1 ZINC001164706650 719866526 /nfs/dbraw/zinc/86/65/26/719866526.db2.gz QGDIHTPATXZKKW-KOSHJBKYSA-N 1 2 439.560 2.463 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC001164699950 719867743 /nfs/dbraw/zinc/86/77/43/719867743.db2.gz DAZAMESYRMEBRC-HYBUGGRVSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708169 719870314 /nfs/dbraw/zinc/87/03/14/719870314.db2.gz XWVICTNPGXDIBL-UZUQRXQVSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708167 719870519 /nfs/dbraw/zinc/87/05/19/719870519.db2.gz XWVICTNPGXDIBL-HXOBKFHXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164708162 719873928 /nfs/dbraw/zinc/87/39/28/719873928.db2.gz XWFYXFYMNOJQLD-HOYKHHGWSA-N 1 2 437.544 2.260 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164708699 719903807 /nfs/dbraw/zinc/90/38/07/719903807.db2.gz HRWWYTRHDORXEH-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708745 719909468 /nfs/dbraw/zinc/90/94/68/719909468.db2.gz JXXGLLBGAQNPML-UHFFFAOYSA-N 1 2 439.951 2.275 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)C1 ZINC001164721291 720275946 /nfs/dbraw/zinc/27/59/46/720275946.db2.gz JCPKZWJTUAJQGM-LJQANCHMSA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)C1 ZINC001164721291 720275952 /nfs/dbraw/zinc/27/59/52/720275952.db2.gz JCPKZWJTUAJQGM-LJQANCHMSA-N 1 2 441.910 2.426 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5nc[nH]c54)CC3)C2=O)cs1 ZINC001164824061 720358894 /nfs/dbraw/zinc/35/88/94/720358894.db2.gz HZBZOZHTYNRVNH-UHFFFAOYSA-N 1 2 446.968 2.084 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5nc[nH]c54)CC3)C2=O)cs1 ZINC001164824061 720358901 /nfs/dbraw/zinc/35/89/01/720358901.db2.gz HZBZOZHTYNRVNH-UHFFFAOYSA-N 1 2 446.968 2.084 20 0 IEADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826500 720359652 /nfs/dbraw/zinc/35/96/52/720359652.db2.gz WJIFFZMPTPQVRB-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826500 720359658 /nfs/dbraw/zinc/35/96/58/720359658.db2.gz WJIFFZMPTPQVRB-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164825671 720362581 /nfs/dbraw/zinc/36/25/81/720362581.db2.gz SZXHMYUYZRAWRW-UHFFFAOYSA-N 1 2 425.562 2.344 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164825671 720362591 /nfs/dbraw/zinc/36/25/91/720362591.db2.gz SZXHMYUYZRAWRW-UHFFFAOYSA-N 1 2 425.562 2.344 20 0 IEADLO CCN(CC)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820726 720375056 /nfs/dbraw/zinc/37/50/56/720375056.db2.gz RLFKMAOQXWOINF-UHFFFAOYSA-N 1 2 443.621 2.401 20 0 IEADLO CCN(CC)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820726 720375062 /nfs/dbraw/zinc/37/50/62/720375062.db2.gz RLFKMAOQXWOINF-UHFFFAOYSA-N 1 2 443.621 2.401 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5onc(C)c54)CC3)C2=O)cs1 ZINC001164822941 720382061 /nfs/dbraw/zinc/38/20/61/720382061.db2.gz NMZHQFODWFWCHI-UHFFFAOYSA-N 1 2 427.534 2.004 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5onc(C)c54)CC3)C2=O)cs1 ZINC001164822941 720382071 /nfs/dbraw/zinc/38/20/71/720382071.db2.gz NMZHQFODWFWCHI-UHFFFAOYSA-N 1 2 427.534 2.004 20 0 IEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164832057 720399700 /nfs/dbraw/zinc/39/97/00/720399700.db2.gz YOAVKVHFVFDGOO-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cc1nc2sccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827618 720427322 /nfs/dbraw/zinc/42/73/22/720427322.db2.gz UKQUZYSTWVJJNP-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccoc31)C2 ZINC001164822377 720436365 /nfs/dbraw/zinc/43/63/65/720436365.db2.gz DHYBLILRFDWXLK-AWEZNQCLSA-N 1 2 432.912 2.062 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3ccccc3)n1)C2 ZINC001164824150 720437080 /nfs/dbraw/zinc/43/70/80/720437080.db2.gz MUBIAWZIJRSHAW-FQEVSTJZSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCCC3)C2 ZINC001164824023 720438914 /nfs/dbraw/zinc/43/89/14/720438914.db2.gz KYPUMQIIPAELPB-INIZCTEOSA-N 1 2 446.983 2.195 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3[nH]ccc31)C2 ZINC001164822682 720439859 /nfs/dbraw/zinc/43/98/59/720439859.db2.gz GBASIFITNSMLKE-OAHLLOKOSA-N 1 2 430.940 2.402 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c1CCC3)C2 ZINC001164827163 720442036 /nfs/dbraw/zinc/44/20/36/720442036.db2.gz ZMQCQYQSRXIAQT-INIZCTEOSA-N 1 2 431.968 2.410 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nncc3cc(Cl)ccc31)C2 ZINC001164833146 720456142 /nfs/dbraw/zinc/45/61/42/720456142.db2.gz YYTYBLBZUOQGHB-QGZVFWFLSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccnc3n1)C2 ZINC001164832661 720458530 /nfs/dbraw/zinc/45/85/30/720458530.db2.gz VFHWGMNXYOPOAZ-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001164832308 720474746 /nfs/dbraw/zinc/47/47/46/720474746.db2.gz TVRBWVKFKKCFHY-OAQYLSRUSA-N 1 2 448.571 2.254 20 0 IEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164760789 721034579 /nfs/dbraw/zinc/03/45/79/721034579.db2.gz DEIMYXXJIDELLJ-PKTZIBPZSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164760789 721034583 /nfs/dbraw/zinc/03/45/83/721034583.db2.gz DEIMYXXJIDELLJ-PKTZIBPZSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(N2C[C@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)CC2=O)cn1 ZINC001164887418 721370860 /nfs/dbraw/zinc/37/08/60/721370860.db2.gz QZIYOAQXSIBPAU-RUZDIDTESA-N 1 2 443.555 2.402 20 0 IEADLO Cn1cc(N2C[C@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)CC2=O)cn1 ZINC001164887418 721370861 /nfs/dbraw/zinc/37/08/61/721370861.db2.gz QZIYOAQXSIBPAU-RUZDIDTESA-N 1 2 443.555 2.402 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164886596 721455045 /nfs/dbraw/zinc/45/50/45/721455045.db2.gz HXZWLXHVHDWZRK-VJBWXMMDSA-N 1 2 433.556 2.297 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164886596 721455055 /nfs/dbraw/zinc/45/50/55/721455055.db2.gz HXZWLXHVHDWZRK-VJBWXMMDSA-N 1 2 433.556 2.297 20 0 IEADLO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCOCC2)n1 ZINC001164802920 721566428 /nfs/dbraw/zinc/56/64/28/721566428.db2.gz ITNRRPJFHYQGJM-FUDKSRODSA-N 1 2 438.576 2.139 20 0 IEADLO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCOCC2)n1 ZINC001164802920 721566429 /nfs/dbraw/zinc/56/64/29/721566429.db2.gz ITNRRPJFHYQGJM-FUDKSRODSA-N 1 2 438.576 2.139 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001165008924 721710444 /nfs/dbraw/zinc/71/04/44/721710444.db2.gz LGWBWPRCAWRAQX-UHFFFAOYSA-N 1 2 429.569 2.401 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001165008924 721710450 /nfs/dbraw/zinc/71/04/50/721710450.db2.gz LGWBWPRCAWRAQX-UHFFFAOYSA-N 1 2 429.569 2.401 20 0 IEADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)C1=O ZINC001165008644 721711546 /nfs/dbraw/zinc/71/15/46/721711546.db2.gz KJGIAIQZLWWORE-UHFFFAOYSA-N 1 2 432.960 2.336 20 0 IEADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)C1=O ZINC001165008644 721711547 /nfs/dbraw/zinc/71/15/47/721711547.db2.gz KJGIAIQZLWWORE-UHFFFAOYSA-N 1 2 432.960 2.336 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001165008921 721713753 /nfs/dbraw/zinc/71/37/53/721713753.db2.gz LFOASUTZDYUOMO-UHFFFAOYSA-N 1 2 447.609 2.098 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001165008921 721713763 /nfs/dbraw/zinc/71/37/63/721713763.db2.gz LFOASUTZDYUOMO-UHFFFAOYSA-N 1 2 447.609 2.098 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001165010066 721715771 /nfs/dbraw/zinc/71/57/71/721715771.db2.gz YGAMYFGTZFMYQM-UHFFFAOYSA-N 1 2 447.971 2.049 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001165010066 721715778 /nfs/dbraw/zinc/71/57/78/721715778.db2.gz YGAMYFGTZFMYQM-UHFFFAOYSA-N 1 2 447.971 2.049 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001165012016 721716564 /nfs/dbraw/zinc/71/65/64/721716564.db2.gz YSWRNMPDJFRZSR-UHFFFAOYSA-N 1 2 447.609 2.098 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001165012016 721716570 /nfs/dbraw/zinc/71/65/70/721716570.db2.gz YSWRNMPDJFRZSR-UHFFFAOYSA-N 1 2 447.609 2.098 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)SCC2 ZINC001164912634 721777810 /nfs/dbraw/zinc/77/78/10/721777810.db2.gz NNVORNFALDACRX-HXUWFJFHSA-N 1 2 433.965 2.281 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)SCC2 ZINC001164912634 721777813 /nfs/dbraw/zinc/77/78/13/721777813.db2.gz NNVORNFALDACRX-HXUWFJFHSA-N 1 2 433.965 2.281 20 0 IEADLO CCOC(=O)c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915561 721783205 /nfs/dbraw/zinc/78/32/05/721783205.db2.gz LDKGGGNPLLZMSJ-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915561 721783207 /nfs/dbraw/zinc/78/32/07/721783207.db2.gz LDKGGGNPLLZMSJ-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914587 721791038 /nfs/dbraw/zinc/79/10/38/721791038.db2.gz FDTGZBQPKMKUGU-VRWDYKOXSA-N 1 2 438.528 2.079 20 0 IEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914587 721791040 /nfs/dbraw/zinc/79/10/40/721791040.db2.gz FDTGZBQPKMKUGU-VRWDYKOXSA-N 1 2 438.528 2.079 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915261 721796697 /nfs/dbraw/zinc/79/66/97/721796697.db2.gz UYSSHFJGGDCLHI-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915261 721796701 /nfs/dbraw/zinc/79/67/01/721796701.db2.gz UYSSHFJGGDCLHI-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO CSc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164914329 721800990 /nfs/dbraw/zinc/80/09/90/721800990.db2.gz LVGRZMDCRWFRAU-HXUWFJFHSA-N 1 2 433.603 2.423 20 0 IEADLO CSc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164914329 721800992 /nfs/dbraw/zinc/80/09/92/721800992.db2.gz LVGRZMDCRWFRAU-HXUWFJFHSA-N 1 2 433.603 2.423 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2CN(C(C)C)C3=O)CC1 ZINC001164917124 721818347 /nfs/dbraw/zinc/81/83/47/721818347.db2.gz BTVMICGSIQKVOX-UHFFFAOYSA-N 1 2 429.956 2.440 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(NC(C)C)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918992 721822597 /nfs/dbraw/zinc/82/25/97/721822597.db2.gz JQHMJSRLMQQUMH-OAQYLSRUSA-N 1 2 432.594 2.478 20 0 IEADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)[C@H]3C)c2c1C ZINC001162644589 721883586 /nfs/dbraw/zinc/88/35/86/721883586.db2.gz QAXKLTYNRWRWJL-CQSZACIVSA-N 1 2 431.562 2.487 20 0 IEADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947727 721975122 /nfs/dbraw/zinc/97/51/22/721975122.db2.gz RPECIMFZKLNSEH-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947727 721975125 /nfs/dbraw/zinc/97/51/25/721975125.db2.gz RPECIMFZKLNSEH-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948378 721975946 /nfs/dbraw/zinc/97/59/46/721975946.db2.gz YBUKOABRUIOZMO-UHFFFAOYSA-N 1 2 437.544 2.403 20 0 IEADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948378 721975948 /nfs/dbraw/zinc/97/59/48/721975948.db2.gz YBUKOABRUIOZMO-UHFFFAOYSA-N 1 2 437.544 2.403 20 0 IEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968115 722076397 /nfs/dbraw/zinc/07/63/97/722076397.db2.gz RDORATSOQBRBBY-KDURUIRLSA-N 1 2 432.521 2.321 20 0 IEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968115 722076398 /nfs/dbraw/zinc/07/63/98/722076398.db2.gz RDORATSOQBRBBY-KDURUIRLSA-N 1 2 432.521 2.321 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(Cc4ccccc4)n3)CC2)C1=O ZINC001164642359 719277960 /nfs/dbraw/zinc/27/79/60/719277960.db2.gz ZUJWYDKRNJYSOJ-UHFFFAOYSA-N 1 2 443.979 2.480 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(Cc4ccccc4)n3)CC2)C1=O ZINC001164642359 719277964 /nfs/dbraw/zinc/27/79/64/719277964.db2.gz ZUJWYDKRNJYSOJ-UHFFFAOYSA-N 1 2 443.979 2.480 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(Oc4cccc(OC)c4)n3)CC2)C1=O ZINC001164640089 719278269 /nfs/dbraw/zinc/27/82/69/719278269.db2.gz NNWZSKIZBQLOKD-UHFFFAOYSA-N 1 2 441.532 2.037 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(Oc4cccc(OC)c4)n3)CC2)C1=O ZINC001164640089 719278273 /nfs/dbraw/zinc/27/82/73/719278273.db2.gz NNWZSKIZBQLOKD-UHFFFAOYSA-N 1 2 441.532 2.037 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1=O ZINC001164644529 719282315 /nfs/dbraw/zinc/28/23/15/719282315.db2.gz NHVXVFSQCAXWSL-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1=O ZINC001164644529 719282318 /nfs/dbraw/zinc/28/23/18/719282318.db2.gz NHVXVFSQCAXWSL-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701632 719848992 /nfs/dbraw/zinc/84/89/92/719848992.db2.gz MOSZXRSEZFGDGX-YCRPNKLZSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705782 719849172 /nfs/dbraw/zinc/84/91/72/719849172.db2.gz VPKHQBCAPTVXPP-VFNWGFHPSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706610 719861198 /nfs/dbraw/zinc/86/11/98/719861198.db2.gz YESGDGVZIQSOAO-HXOBKFHXSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(N(C)C)cc2)n1 ZINC001164706069 719863899 /nfs/dbraw/zinc/86/38/99/719863899.db2.gz OMEIOUMTPPWYTG-GBXCKJPGSA-N 1 2 439.560 2.442 20 0 IEADLO CCOC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ccc1Cl ZINC001164701755 719864094 /nfs/dbraw/zinc/86/40/94/719864094.db2.gz HIURINLXDYPWPW-JLTOFOAXSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1)C1CC1 ZINC001164706243 719866506 /nfs/dbraw/zinc/86/65/06/719866506.db2.gz PGTDCFNWKFIBCN-NMMYMHLASA-N 1 2 445.560 2.371 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC1 ZINC001164706657 719866572 /nfs/dbraw/zinc/86/65/72/719866572.db2.gz QGDIHTPATXZKKW-UUOWRZLLSA-N 1 2 439.560 2.463 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(OC)cc2)ncn1 ZINC001164708498 719870667 /nfs/dbraw/zinc/87/06/67/719870667.db2.gz ZMBXRLRWSWYIHC-FDDCHVKYSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C(C)C)no2)ccn1 ZINC001164701816 719873996 /nfs/dbraw/zinc/87/39/96/719873996.db2.gz HTBDPUWXCFCALW-VGSWGCGISA-N 1 2 429.521 2.488 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C(C)C)no2)ccn1 ZINC001164701815 719874101 /nfs/dbraw/zinc/87/41/01/719874101.db2.gz HTBDPUWXCFCALW-VGOFRKELSA-N 1 2 429.521 2.488 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(-c2ccncc2)n1 ZINC001164705705 719877690 /nfs/dbraw/zinc/87/76/90/719877690.db2.gz NZXOGAIIRRGIED-HRAATJIYSA-N 1 2 431.924 2.425 20 0 IEADLO CCc1ccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)cc1 ZINC001164708546 719927457 /nfs/dbraw/zinc/92/74/57/719927457.db2.gz KUNCLRZKANWZQJ-UHFFFAOYSA-N 1 2 445.571 2.390 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(SC)n3)C2)C1 ZINC001164720337 720216746 /nfs/dbraw/zinc/21/67/46/720216746.db2.gz YRZVZKXXOLPUCG-QGZVFWFLSA-N 1 2 449.955 2.062 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(SC)n3)C2)C1 ZINC001164720337 720216751 /nfs/dbraw/zinc/21/67/51/720216751.db2.gz YRZVZKXXOLPUCG-QGZVFWFLSA-N 1 2 449.955 2.062 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164720413 720245062 /nfs/dbraw/zinc/24/50/62/720245062.db2.gz VMBAVLFXTWRNFK-XMMPIXPASA-N 1 2 434.544 2.290 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164720413 720245073 /nfs/dbraw/zinc/24/50/73/720245073.db2.gz VMBAVLFXTWRNFK-XMMPIXPASA-N 1 2 434.544 2.290 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164722888 720272967 /nfs/dbraw/zinc/27/29/67/720272967.db2.gz SYDCPIHWLDFBHH-HSZRJFAPSA-N 1 2 443.979 2.386 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164722888 720272981 /nfs/dbraw/zinc/27/29/81/720272981.db2.gz SYDCPIHWLDFBHH-HSZRJFAPSA-N 1 2 443.979 2.386 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164722233 720293670 /nfs/dbraw/zinc/29/36/70/720293670.db2.gz OVQGNTUTWQRQQA-XMMPIXPASA-N 1 2 442.535 2.465 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164722233 720293680 /nfs/dbraw/zinc/29/36/80/720293680.db2.gz OVQGNTUTWQRQQA-XMMPIXPASA-N 1 2 442.535 2.465 20 0 IEADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164720902 720311124 /nfs/dbraw/zinc/31/11/24/720311124.db2.gz CBLCFZMGBPZDLZ-CQSZACIVSA-N 1 2 440.882 2.396 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(F)nc(F)nc4Cl)CC3)C2=O)cs1 ZINC001164819678 720378110 /nfs/dbraw/zinc/37/81/10/720378110.db2.gz FPYRTBVDLUUVDY-UHFFFAOYSA-N 1 2 442.923 2.486 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(F)nc(F)nc4Cl)CC3)C2=O)cs1 ZINC001164819678 720378118 /nfs/dbraw/zinc/37/81/18/720378118.db2.gz FPYRTBVDLUUVDY-UHFFFAOYSA-N 1 2 442.923 2.486 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)CCCC5)CC3)C2=O)cs1 ZINC001164821499 720383267 /nfs/dbraw/zinc/38/32/67/720383267.db2.gz HGICKBSBKAHQDO-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)CCCC5)CC3)C2=O)cs1 ZINC001164821499 720383272 /nfs/dbraw/zinc/38/32/72/720383272.db2.gz HGICKBSBKAHQDO-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO CSc1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828588 720430393 /nfs/dbraw/zinc/43/03/93/720430393.db2.gz XZTTUMRUHTYKIP-CQSZACIVSA-N 1 2 438.985 2.038 20 0 IEADLO Cc1sc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1C ZINC001164824134 720436973 /nfs/dbraw/zinc/43/69/73/720436973.db2.gz MORPTUISNQCOTH-KRWDZBQOSA-N 1 2 442.589 2.494 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3)nn1)C2 ZINC001164825291 720438580 /nfs/dbraw/zinc/43/85/80/720438580.db2.gz REDBAIVTGBDWDI-HXUWFJFHSA-N 1 2 434.544 2.330 20 0 IEADLO Cc1nc2cc(F)ccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823445 720442842 /nfs/dbraw/zinc/44/28/42/720442842.db2.gz JYSZXWWOIJXDKV-KRWDZBQOSA-N 1 2 440.523 2.263 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3c1CCCC3)C2 ZINC001164825542 720448089 /nfs/dbraw/zinc/44/80/89/720448089.db2.gz RWICPDINZJCCAI-INIZCTEOSA-N 1 2 446.983 2.195 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ncccc13)C2 ZINC001164827032 720449170 /nfs/dbraw/zinc/44/91/70/720449170.db2.gz YQRUFLOTMBMLCL-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO CSc1cnc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831316 720455806 /nfs/dbraw/zinc/45/58/06/720455806.db2.gz ORYXICLJEJKHDC-AWEZNQCLSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(OC(C)(C)C)n1)C2 ZINC001164829937 720457013 /nfs/dbraw/zinc/45/70/13/720457013.db2.gz IDLMQJVOROXFEJ-GOSISDBHSA-N 1 2 429.565 2.445 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccnc3n1)C2 ZINC001164832662 720458878 /nfs/dbraw/zinc/45/88/78/720458878.db2.gz VFHWGMNXYOPOAZ-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cc1csc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164831742 720468504 /nfs/dbraw/zinc/46/85/04/720468504.db2.gz PEQMTSIRQQZIBX-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccncc2)n1 ZINC001164831761 720470228 /nfs/dbraw/zinc/47/02/28/720470228.db2.gz PUEAWWJFRVZZSX-FQEVSTJZSA-N 1 2 449.559 2.033 20 0 IEADLO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852159 720818655 /nfs/dbraw/zinc/81/86/55/720818655.db2.gz ZITSHUCFDDJAKH-VJBWXMMDSA-N 1 2 449.555 2.325 20 0 IEADLO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852159 720818658 /nfs/dbraw/zinc/81/86/58/720818658.db2.gz ZITSHUCFDDJAKH-VJBWXMMDSA-N 1 2 449.555 2.325 20 0 IEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164856865 720895941 /nfs/dbraw/zinc/89/59/41/720895941.db2.gz HMOZRNCZQILPRE-UHFFFAOYSA-N 1 2 436.850 2.414 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001165011440 721703474 /nfs/dbraw/zinc/70/34/74/721703474.db2.gz SRHLMRXXDUMQNW-UHFFFAOYSA-N 1 2 436.564 2.308 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001165011440 721703483 /nfs/dbraw/zinc/70/34/83/721703483.db2.gz SRHLMRXXDUMQNW-UHFFFAOYSA-N 1 2 436.564 2.308 20 0 IEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008627 721715421 /nfs/dbraw/zinc/71/54/21/721715421.db2.gz JDKYLIYESXZBGK-QGZVFWFLSA-N 1 2 449.625 2.391 20 0 IEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008627 721715427 /nfs/dbraw/zinc/71/54/27/721715427.db2.gz JDKYLIYESXZBGK-QGZVFWFLSA-N 1 2 449.625 2.391 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911908 721771264 /nfs/dbraw/zinc/77/12/64/721771264.db2.gz IFLPMARBDXCEQH-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911908 721771268 /nfs/dbraw/zinc/77/12/68/721771268.db2.gz IFLPMARBDXCEQH-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CC1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164915289 721794966 /nfs/dbraw/zinc/79/49/66/721794966.db2.gz VORREAYUHASOES-XMMPIXPASA-N 1 2 438.576 2.216 20 0 IEADLO CC1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164915289 721794968 /nfs/dbraw/zinc/79/49/68/721794968.db2.gz VORREAYUHASOES-XMMPIXPASA-N 1 2 438.576 2.216 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943216 721969083 /nfs/dbraw/zinc/96/90/83/721969083.db2.gz DXGRTNKWSOZEGY-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943216 721969086 /nfs/dbraw/zinc/96/90/86/721969086.db2.gz DXGRTNKWSOZEGY-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945131 721977660 /nfs/dbraw/zinc/97/76/60/721977660.db2.gz DGOJJZVRRVRPMG-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945131 721977663 /nfs/dbraw/zinc/97/76/63/721977663.db2.gz DGOJJZVRRVRPMG-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-n5cncn5)nc(C)[nH+]4)CC[C@H]32)cs1 ZINC001164992491 722186148 /nfs/dbraw/zinc/18/61/48/722186148.db2.gz WKUNMIWJXYWDCT-MSOLQXFVSA-N 1 2 426.550 2.000 20 0 IEADLO COC(=O)CCCc1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC001473641495 1126198407 /nfs/dbraw/zinc/19/84/07/1126198407.db2.gz PWXCQCVUWRUUQN-IBGZPJMESA-N 1 2 438.322 2.337 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc(Cc4ccccc4)n3)CC2)C1=O ZINC001164635671 719272269 /nfs/dbraw/zinc/27/22/69/719272269.db2.gz SWBKXVYVMIBSJT-UHFFFAOYSA-N 1 2 443.979 2.480 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc(Cc4ccccc4)n3)CC2)C1=O ZINC001164635671 719272271 /nfs/dbraw/zinc/27/22/71/719272271.db2.gz SWBKXVYVMIBSJT-UHFFFAOYSA-N 1 2 443.979 2.480 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4c(F)cccc4F)nn3)CC2)C1=O ZINC001164644686 719282387 /nfs/dbraw/zinc/28/23/87/719282387.db2.gz QKJBASOACBOEFN-UHFFFAOYSA-N 1 2 431.487 2.181 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4c(F)cccc4F)nn3)CC2)C1=O ZINC001164644686 719282389 /nfs/dbraw/zinc/28/23/89/719282389.db2.gz QKJBASOACBOEFN-UHFFFAOYSA-N 1 2 431.487 2.181 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2ccccc2)n1 ZINC001164702030 719845336 /nfs/dbraw/zinc/84/53/36/719845336.db2.gz NJLSGOQPABHMFQ-CVDCTZTESA-N 1 2 426.517 2.288 20 0 IEADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705781 719849106 /nfs/dbraw/zinc/84/91/06/719849106.db2.gz VPKHQBCAPTVXPP-QVKFZJNVSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)c1ccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc2c1 ZINC001164706391 719851366 /nfs/dbraw/zinc/85/13/66/719851366.db2.gz WXDCEDPYHWZIMD-MBSDFSHPSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702486 719853545 /nfs/dbraw/zinc/85/35/45/719853545.db2.gz NKMSKGRBRLLNRG-HXOBKFHXSA-N 1 2 442.516 2.039 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(OCc2ccccc2)n1 ZINC001164700080 719853647 /nfs/dbraw/zinc/85/36/47/719853647.db2.gz GDVZKMLECCQTHO-CVDCTZTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)nc21 ZINC001164701260 719857489 /nfs/dbraw/zinc/85/74/89/719857489.db2.gz JXNIXBRJFNNBND-KPZWWZAWSA-N 1 2 425.942 2.281 20 0 IEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164697750 719857879 /nfs/dbraw/zinc/85/78/79/719857879.db2.gz AAFGMCBDYYKPNI-YCRPNKLZSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OCc2ccccc2)cnn1 ZINC001164699441 719858614 /nfs/dbraw/zinc/85/86/14/719858614.db2.gz FFOZTPHGCHTIME-WMZHIEFXSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)c(OC)cc2n1 ZINC001164701329 719859751 /nfs/dbraw/zinc/85/97/51/719859751.db2.gz KGNSNWCXUVOLKM-HXOBKFHXSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164702950 719860279 /nfs/dbraw/zinc/86/02/79/719860279.db2.gz OIKRELQCVAWHJD-KSSFIOAISA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C(C)C ZINC001164702409 719862428 /nfs/dbraw/zinc/86/24/28/719862428.db2.gz MTTBPTPGKLLAAY-VLIAUNLRSA-N 1 2 436.944 2.293 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(OCc2ccccc2)cn1 ZINC001164697839 719863473 /nfs/dbraw/zinc/86/34/73/719863473.db2.gz BHBUEBLXLFFWIP-XXBNENTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164707185 719864002 /nfs/dbraw/zinc/86/40/02/719864002.db2.gz RANWOUHRVLRTBA-BDJLRTHQSA-N 1 2 436.912 2.196 20 0 IEADLO COC(=O)c1ccc2cc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ncc2c1 ZINC001164706141 719865958 /nfs/dbraw/zinc/86/59/58/719865958.db2.gz OWEYCPWHRVPYCQ-AUSIDOKSSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCC(C)CC1 ZINC001164707198 719867929 /nfs/dbraw/zinc/86/79/29/719867929.db2.gz RCQGEMBBESYXNP-DVECYGJZSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2OC)nn1 ZINC001164702862 719868921 /nfs/dbraw/zinc/86/89/21/719868921.db2.gz JCEHSKKCBSGYPX-SBUREZEXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)c(OC)cc2cn1 ZINC001164701775 719871361 /nfs/dbraw/zinc/87/13/61/719871361.db2.gz HNURBBVFOZZFBD-FDDCHVKYSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2c1CCC2 ZINC001164701799 719873977 /nfs/dbraw/zinc/87/39/77/719873977.db2.gz HSHRQHPRMPFXHN-UUOWRZLLSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001164702314 719875803 /nfs/dbraw/zinc/87/58/03/719875803.db2.gz IFPUDRAIAIKKRM-HTAPYJJXSA-N 1 2 427.505 2.242 20 0 IEADLO CCc1nc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)n1 ZINC001164708271 719925520 /nfs/dbraw/zinc/92/55/20/719925520.db2.gz GUNWMTBFWLVHET-UHFFFAOYSA-N 1 2 438.363 2.030 20 0 IEADLO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164715212 720069101 /nfs/dbraw/zinc/06/91/01/720069101.db2.gz RYLQDEAFJQCVOI-FGZHOGPDSA-N 1 2 429.528 2.153 20 0 IEADLO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164715212 720069105 /nfs/dbraw/zinc/06/91/05/720069105.db2.gz RYLQDEAFJQCVOI-FGZHOGPDSA-N 1 2 429.528 2.153 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164720125 720235223 /nfs/dbraw/zinc/23/52/23/720235223.db2.gz RQQMRTOLOYNMMS-HXUWFJFHSA-N 1 2 437.635 2.010 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164720125 720235225 /nfs/dbraw/zinc/23/52/25/720235225.db2.gz RQQMRTOLOYNMMS-HXUWFJFHSA-N 1 2 437.635 2.010 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164722301 720306958 /nfs/dbraw/zinc/30/69/58/720306958.db2.gz KAHYWHNOIQJPRW-QHCPKHFHSA-N 1 2 427.524 2.256 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164722301 720306964 /nfs/dbraw/zinc/30/69/64/720306964.db2.gz KAHYWHNOIQJPRW-QHCPKHFHSA-N 1 2 427.524 2.256 20 0 IEADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164720900 720311333 /nfs/dbraw/zinc/31/13/33/720311333.db2.gz CBLCFZMGBPZDLZ-AWEZNQCLSA-N 1 2 440.882 2.396 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(OC(C)C)n4)CC3)C2=O)cs1 ZINC001164821064 720378631 /nfs/dbraw/zinc/37/86/31/720378631.db2.gz WJFDXYLZSRTQLD-UHFFFAOYSA-N 1 2 430.578 2.342 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(OC(C)C)n4)CC3)C2=O)cs1 ZINC001164821064 720378639 /nfs/dbraw/zinc/37/86/39/720378639.db2.gz WJFDXYLZSRTQLD-UHFFFAOYSA-N 1 2 430.578 2.342 20 0 IEADLO COc1nc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1C ZINC001164822820 720384731 /nfs/dbraw/zinc/38/47/31/720384731.db2.gz MBKUQHAHRDQCOI-UHFFFAOYSA-N 1 2 430.578 2.180 20 0 IEADLO COc1nc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1C ZINC001164822820 720384738 /nfs/dbraw/zinc/38/47/38/720384738.db2.gz MBKUQHAHRDQCOI-UHFFFAOYSA-N 1 2 430.578 2.180 20 0 IEADLO CC(=O)N(C)Cc1nnc2n1CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164828746 720413108 /nfs/dbraw/zinc/41/31/08/720413108.db2.gz KRJJSXNBPIJUPD-UHFFFAOYSA-N 1 2 446.559 2.015 20 0 IEADLO CC(=O)N(C)Cc1nnc2n1CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164828746 720413115 /nfs/dbraw/zinc/41/31/15/720413115.db2.gz KRJJSXNBPIJUPD-UHFFFAOYSA-N 1 2 446.559 2.015 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3cccc(Cl)c3n1)C2 ZINC001164823424 720439405 /nfs/dbraw/zinc/43/94/05/720439405.db2.gz JPTIEUKYEZAKJK-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ncccc13)C2 ZINC001164827030 720448474 /nfs/dbraw/zinc/44/84/74/720448474.db2.gz YQRUFLOTMBMLCL-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1cccc(Cl)n1)C2 ZINC001164826377 720453253 /nfs/dbraw/zinc/45/32/53/720453253.db2.gz WACCGXQPGFPNJL-MGPUTAFESA-N 1 2 439.919 2.049 20 0 IEADLO COc1ccc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164830269 720458484 /nfs/dbraw/zinc/45/84/84/720458484.db2.gz JZMLNYMDZGDSSM-LJQANCHMSA-N 1 2 437.544 2.430 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(-c3ccccc3)cn1)C2 ZINC001164829594 720470990 /nfs/dbraw/zinc/47/09/90/720470990.db2.gz GEYCGQRVOANFKF-HXUWFJFHSA-N 1 2 434.544 2.330 20 0 IEADLO COc1cccc2c1ccnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831181 720474050 /nfs/dbraw/zinc/47/40/50/720474050.db2.gz NGFIMMXCWUDILB-GOSISDBHSA-N 1 2 437.544 2.430 20 0 IEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164856008 720895598 /nfs/dbraw/zinc/89/55/98/720895598.db2.gz FSRWQJBIFGLDGI-UHFFFAOYSA-N 1 2 436.850 2.414 20 0 IEADLO Cn1cc(N2C[C@@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)CC2=O)cn1 ZINC001164887420 721370832 /nfs/dbraw/zinc/37/08/32/721370832.db2.gz QZIYOAQXSIBPAU-VWLOTQADSA-N 1 2 443.555 2.402 20 0 IEADLO Cn1cc(N2C[C@@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)CC2=O)cn1 ZINC001164887420 721370835 /nfs/dbraw/zinc/37/08/35/721370835.db2.gz QZIYOAQXSIBPAU-VWLOTQADSA-N 1 2 443.555 2.402 20 0 IEADLO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCOCC2)n1 ZINC001164802921 721566716 /nfs/dbraw/zinc/56/67/16/721566716.db2.gz ITNRRPJFHYQGJM-FUPPJEDESA-N 1 2 438.576 2.139 20 0 IEADLO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCOCC2)n1 ZINC001164802921 721566718 /nfs/dbraw/zinc/56/67/18/721566718.db2.gz ITNRRPJFHYQGJM-FUPPJEDESA-N 1 2 438.576 2.139 20 0 IEADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008314 721715697 /nfs/dbraw/zinc/71/56/97/721715697.db2.gz DWYVDMCNCMFWGN-UHFFFAOYSA-N 1 2 449.625 2.248 20 0 IEADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008314 721715703 /nfs/dbraw/zinc/71/57/03/721715703.db2.gz DWYVDMCNCMFWGN-UHFFFAOYSA-N 1 2 449.625 2.248 20 0 IEADLO CCOC(=O)c1ccc(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910549 721767302 /nfs/dbraw/zinc/76/73/02/721767302.db2.gz IBEAPISMQUWWLK-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1ccc(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910549 721767304 /nfs/dbraw/zinc/76/73/04/721767304.db2.gz IBEAPISMQUWWLK-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)/C=C\c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910985 721769970 /nfs/dbraw/zinc/76/99/70/721769970.db2.gz DARYVZJWMLXRQT-WEHRJKGCSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C\c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910985 721769973 /nfs/dbraw/zinc/76/99/73/721769973.db2.gz DARYVZJWMLXRQT-WEHRJKGCSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911909 721770863 /nfs/dbraw/zinc/77/08/63/721770863.db2.gz IFLPMARBDXCEQH-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911909 721770864 /nfs/dbraw/zinc/77/08/64/721770864.db2.gz IFLPMARBDXCEQH-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO COc1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916770 721787730 /nfs/dbraw/zinc/78/77/30/721787730.db2.gz TYJUVKMUDAUMTM-DEOSSOPVSA-N 1 2 448.527 2.050 20 0 IEADLO COc1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916770 721787736 /nfs/dbraw/zinc/78/77/36/721787736.db2.gz TYJUVKMUDAUMTM-DEOSSOPVSA-N 1 2 448.527 2.050 20 0 IEADLO Fc1ncccc1-c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917117 721789321 /nfs/dbraw/zinc/78/93/21/721789321.db2.gz WWIAHKWFACFCMV-HSZRJFAPSA-N 1 2 436.491 2.181 20 0 IEADLO Fc1ncccc1-c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917117 721789322 /nfs/dbraw/zinc/78/93/22/721789322.db2.gz WWIAHKWFACFCMV-HSZRJFAPSA-N 1 2 436.491 2.181 20 0 IEADLO CCOCc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914084 721791973 /nfs/dbraw/zinc/79/19/73/721791973.db2.gz BEPJBGQMBYRBEM-NRFANRHFSA-N 1 2 433.940 2.169 20 0 IEADLO CCOCc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914084 721791979 /nfs/dbraw/zinc/79/19/79/721791979.db2.gz BEPJBGQMBYRBEM-NRFANRHFSA-N 1 2 433.940 2.169 20 0 IEADLO Fc1cccc(-c2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914679 721796107 /nfs/dbraw/zinc/79/61/07/721796107.db2.gz PXDRWPQYCDLRCI-QHCPKHFHSA-N 1 2 436.491 2.181 20 0 IEADLO Fc1cccc(-c2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914679 721796112 /nfs/dbraw/zinc/79/61/12/721796112.db2.gz PXDRWPQYCDLRCI-QHCPKHFHSA-N 1 2 436.491 2.181 20 0 IEADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1Cl ZINC001164915315 721801327 /nfs/dbraw/zinc/80/13/27/721801327.db2.gz WDMMXRABLJANLV-IBGZPJMESA-N 1 2 440.878 2.021 20 0 IEADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1Cl ZINC001164915315 721801328 /nfs/dbraw/zinc/80/13/28/721801328.db2.gz WDMMXRABLJANLV-IBGZPJMESA-N 1 2 440.878 2.021 20 0 IEADLO COc1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc(N2CCCCCC2)n1 ZINC001164917859 721818892 /nfs/dbraw/zinc/81/88/92/721818892.db2.gz JXYUNDAEYLPFNJ-UHFFFAOYSA-N 1 2 426.569 2.207 20 0 IEADLO CCOC(=O)c1ccnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1C(=O)OCC ZINC001164919547 721822319 /nfs/dbraw/zinc/82/23/19/721822319.db2.gz SNQVAJFZOXVVRB-UHFFFAOYSA-N 1 2 441.532 2.381 20 0 IEADLO COc1c[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1NC(C)C ZINC001164919812 721822590 /nfs/dbraw/zinc/82/25/90/721822590.db2.gz WSPGDGZHQDHKRQ-NRFANRHFSA-N 1 2 448.593 2.178 20 0 IEADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164923485 721827344 /nfs/dbraw/zinc/82/73/44/721827344.db2.gz JAJVETDYDPTRBB-QFIPXVFZSA-N 1 2 446.573 2.358 20 0 IEADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)[C@@H]3C)c2c1C ZINC001162644588 721883756 /nfs/dbraw/zinc/88/37/56/721883756.db2.gz QAXKLTYNRWRWJL-AWEZNQCLSA-N 1 2 431.562 2.487 20 0 IEADLO CN1C(=O)CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164935622 721892767 /nfs/dbraw/zinc/89/27/67/721892767.db2.gz WBPOCKBMEZJZMP-YADHBBJMSA-N 1 2 433.556 2.239 20 0 IEADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945137 721974463 /nfs/dbraw/zinc/97/44/63/721974463.db2.gz DMVPJDGDRVKASY-UHFFFAOYSA-N 1 2 426.492 2.287 20 0 IEADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945137 721974464 /nfs/dbraw/zinc/97/44/64/721974464.db2.gz DMVPJDGDRVKASY-UHFFFAOYSA-N 1 2 426.492 2.287 20 0 IEADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948957 721980929 /nfs/dbraw/zinc/98/09/29/721980929.db2.gz NQKMXNMZGBXRAH-UHFFFAOYSA-N 1 2 437.544 2.187 20 0 IEADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948957 721980932 /nfs/dbraw/zinc/98/09/32/721980932.db2.gz NQKMXNMZGBXRAH-UHFFFAOYSA-N 1 2 437.544 2.187 20 0 IEADLO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(Cn5cncn5)c[nH+]4)CC[C@H]32)cs1 ZINC001164985059 722185207 /nfs/dbraw/zinc/18/52/07/722185207.db2.gz AMNSJYVYPOZNII-UXHICEINSA-N 1 2 425.562 2.356 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)C1=O ZINC001164644931 719282463 /nfs/dbraw/zinc/28/24/63/719282463.db2.gz WYNSGOCJLVYNBH-UHFFFAOYSA-N 1 2 428.537 2.014 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)C1=O ZINC001164644931 719282465 /nfs/dbraw/zinc/28/24/65/719282465.db2.gz WYNSGOCJLVYNBH-UHFFFAOYSA-N 1 2 428.537 2.014 20 0 IEADLO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2N1C ZINC001164673396 719510850 /nfs/dbraw/zinc/51/08/50/719510850.db2.gz RRCLTHSUQSAVJL-MRXNPFEDSA-N 1 2 440.523 2.264 20 0 IEADLO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2N1C ZINC001164673396 719510858 /nfs/dbraw/zinc/51/08/58/719510858.db2.gz RRCLTHSUQSAVJL-MRXNPFEDSA-N 1 2 440.523 2.264 20 0 IEADLO CN(C)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc2nc[nH]c21 ZINC001164672602 719513412 /nfs/dbraw/zinc/51/34/12/719513412.db2.gz LPWNKRKBNIMAIM-UHFFFAOYSA-N 1 2 425.512 2.429 20 0 IEADLO CN(C)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc2nc[nH]c21 ZINC001164672602 719513418 /nfs/dbraw/zinc/51/34/18/719513418.db2.gz LPWNKRKBNIMAIM-UHFFFAOYSA-N 1 2 425.512 2.429 20 0 IEADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672667 719514639 /nfs/dbraw/zinc/51/46/39/719514639.db2.gz MKXNEIRTVXQBDA-UHFFFAOYSA-N 1 2 448.564 2.390 20 0 IEADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672667 719514643 /nfs/dbraw/zinc/51/46/43/719514643.db2.gz MKXNEIRTVXQBDA-UHFFFAOYSA-N 1 2 448.564 2.390 20 0 IEADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677017 719526319 /nfs/dbraw/zinc/52/63/19/719526319.db2.gz AMEGLOLYAGAABU-UHFFFAOYSA-N 1 2 425.508 2.379 20 0 IEADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677017 719526334 /nfs/dbraw/zinc/52/63/34/719526334.db2.gz AMEGLOLYAGAABU-UHFFFAOYSA-N 1 2 425.508 2.379 20 0 IEADLO CS(=O)(=O)c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164677258 719567864 /nfs/dbraw/zinc/56/78/64/719567864.db2.gz XHJMRWIBBADFBH-UHFFFAOYSA-N 1 2 443.863 2.479 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701076 719839012 /nfs/dbraw/zinc/83/90/12/719839012.db2.gz LUBPTFPBNLWSPG-VLIAUNLRSA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1Cl ZINC001164702737 719841729 /nfs/dbraw/zinc/84/17/29/719841729.db2.gz PJCUMWPPJFUMLV-XOBRGWDASA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NC1CCCCC1 ZINC001164705814 719841844 /nfs/dbraw/zinc/84/18/44/719841844.db2.gz VVNJIHRZFGSMFK-DVECYGJZSA-N 1 2 444.576 2.377 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(NC(=O)OC(C)(C)C)ncn1 ZINC001164702005 719844893 /nfs/dbraw/zinc/84/48/93/719844893.db2.gz NDTLUJVNQHFCRB-YCRPNKLZSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164702686 719849158 /nfs/dbraw/zinc/84/91/58/719849158.db2.gz OWUJGCHZYVJLOY-QVKFZJNVSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(-c2ccccc2)n1 ZINC001164701412 719849493 /nfs/dbraw/zinc/84/94/93/719849493.db2.gz MDYYPHKRUAGNTR-IIBYNOLFSA-N 1 2 431.924 2.425 20 0 IEADLO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164702485 719853644 /nfs/dbraw/zinc/85/36/44/719853644.db2.gz NKMSKGRBRLLNRG-GAJHUEQPSA-N 1 2 442.516 2.039 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(OCc2ccccc2)n1 ZINC001164700082 719853680 /nfs/dbraw/zinc/85/36/80/719853680.db2.gz GDVZKMLECCQTHO-XXBNENTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OCc2ccccc2)cnn1 ZINC001164699442 719858694 /nfs/dbraw/zinc/85/86/94/719858694.db2.gz FFOZTPHGCHTIME-XXBNENTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706614 719861220 /nfs/dbraw/zinc/86/12/20/719861220.db2.gz YESGDGVZIQSOAO-SBUREZEXSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1cc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2s1 ZINC001164705093 719861934 /nfs/dbraw/zinc/86/19/34/719861934.db2.gz SSYPIHZZZQPNAS-LHSJRXKWSA-N 1 2 448.545 2.101 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2)nn1 ZINC001164704982 719867331 /nfs/dbraw/zinc/86/73/31/719867331.db2.gz MMRRFUHZORNVOF-JPYJTQIMSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2)nn1 ZINC001164704984 719867733 /nfs/dbraw/zinc/86/77/33/719867733.db2.gz MMRRFUHZORNVOF-WZONZLPQSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCC(C)CC1 ZINC001164707200 719867770 /nfs/dbraw/zinc/86/77/70/719867770.db2.gz RCQGEMBBESYXNP-YADARESESA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2OC)nn1 ZINC001164702861 719869043 /nfs/dbraw/zinc/86/90/43/719869043.db2.gz JCEHSKKCBSGYPX-HXOBKFHXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164708165 719873843 /nfs/dbraw/zinc/87/38/43/719873843.db2.gz XWFYXFYMNOJQLD-UUOWRZLLSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)c1cccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc21 ZINC001164701245 719874451 /nfs/dbraw/zinc/87/44/51/719874451.db2.gz GJAJEFPNMVXHFM-QMHKHESXSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(cc(OC)cc2OC)n1 ZINC001164699818 719877333 /nfs/dbraw/zinc/87/73/33/719877333.db2.gz BNZFPBGNQQFAHU-WAIKUNEKSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(cc(OC)cc2OC)n1 ZINC001164699815 719877383 /nfs/dbraw/zinc/87/73/83/719877383.db2.gz BNZFPBGNQQFAHU-MWTRTKDXSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(-c2ccncc2)n1 ZINC001164705708 719877568 /nfs/dbraw/zinc/87/75/68/719877568.db2.gz NZXOGAIIRRGIED-KKSFZXQISA-N 1 2 431.924 2.425 20 0 IEADLO CC(C)c1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164709091 719924566 /nfs/dbraw/zinc/92/45/66/719924566.db2.gz XQPJPXRTQJTKOX-UHFFFAOYSA-N 1 2 433.560 2.437 20 0 IEADLO Cc1c(Cl)nc(C(C)C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708331 719935154 /nfs/dbraw/zinc/93/51/54/719935154.db2.gz JMXOAWNRZMYJDJ-UHFFFAOYSA-N 1 2 431.972 2.246 20 0 IEADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708094 719935908 /nfs/dbraw/zinc/93/59/08/719935908.db2.gz BXSSOSHMYYNRKP-UHFFFAOYSA-N 1 2 443.983 2.390 20 0 IEADLO Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1-c1ccccc1F ZINC001164708247 719937506 /nfs/dbraw/zinc/93/75/06/719937506.db2.gz GFUCIWOTNMBWRQ-UHFFFAOYSA-N 1 2 449.534 2.275 20 0 IEADLO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164715221 720068624 /nfs/dbraw/zinc/06/86/24/720068624.db2.gz RYLQDEAFJQCVOI-YADHBBJMSA-N 1 2 429.528 2.153 20 0 IEADLO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164715221 720068628 /nfs/dbraw/zinc/06/86/28/720068628.db2.gz RYLQDEAFJQCVOI-YADHBBJMSA-N 1 2 429.528 2.153 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(SC)n3)C2)C1 ZINC001164720336 720217641 /nfs/dbraw/zinc/21/76/41/720217641.db2.gz YRZVZKXXOLPUCG-KRWDZBQOSA-N 1 2 449.955 2.062 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(SC)n3)C2)C1 ZINC001164720336 720217650 /nfs/dbraw/zinc/21/76/50/720217650.db2.gz YRZVZKXXOLPUCG-KRWDZBQOSA-N 1 2 449.955 2.062 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164720124 720233597 /nfs/dbraw/zinc/23/35/97/720233597.db2.gz RQQMRTOLOYNMMS-FQEVSTJZSA-N 1 2 437.635 2.010 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164720124 720233606 /nfs/dbraw/zinc/23/36/06/720233606.db2.gz RQQMRTOLOYNMMS-FQEVSTJZSA-N 1 2 437.635 2.010 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721535 720269098 /nfs/dbraw/zinc/26/90/98/720269098.db2.gz KPVVATBVYWMCRP-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721535 720269106 /nfs/dbraw/zinc/26/91/06/720269106.db2.gz KPVVATBVYWMCRP-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)C1 ZINC001164721290 720274064 /nfs/dbraw/zinc/27/40/64/720274064.db2.gz JCPKZWJTUAJQGM-IBGZPJMESA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)C1 ZINC001164721290 720274077 /nfs/dbraw/zinc/27/40/77/720274077.db2.gz JCPKZWJTUAJQGM-IBGZPJMESA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164724213 720295129 /nfs/dbraw/zinc/29/51/29/720295129.db2.gz ZNTUZJXEURVVSO-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164724213 720295132 /nfs/dbraw/zinc/29/51/32/720295132.db2.gz ZNTUZJXEURVVSO-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164725522 720300557 /nfs/dbraw/zinc/30/05/57/720300557.db2.gz WOTWRPNVAZHZQQ-HSZRJFAPSA-N 1 2 441.601 2.434 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164725522 720300566 /nfs/dbraw/zinc/30/05/66/720300566.db2.gz WOTWRPNVAZHZQQ-HSZRJFAPSA-N 1 2 441.601 2.434 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164720903 720306538 /nfs/dbraw/zinc/30/65/38/720306538.db2.gz CCDAWTXDKUVPFP-IBGZPJMESA-N 1 2 428.364 2.326 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164720903 720306545 /nfs/dbraw/zinc/30/65/45/720306545.db2.gz CCDAWTXDKUVPFP-IBGZPJMESA-N 1 2 428.364 2.326 20 0 IEADLO COc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824779 720360018 /nfs/dbraw/zinc/36/00/18/720360018.db2.gz KVULBVIUPAZENG-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824779 720360022 /nfs/dbraw/zinc/36/00/22/720360022.db2.gz KVULBVIUPAZENG-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825720 720360257 /nfs/dbraw/zinc/36/02/57/720360257.db2.gz UHFBZQNAFGIIEK-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825720 720360260 /nfs/dbraw/zinc/36/02/60/720360260.db2.gz UHFBZQNAFGIIEK-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(F)c1 ZINC001164826547 720365823 /nfs/dbraw/zinc/36/58/23/720365823.db2.gz WWUXUXYGODSPGH-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(F)c1 ZINC001164826547 720365833 /nfs/dbraw/zinc/36/58/33/720365833.db2.gz WWUXUXYGODSPGH-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1C ZINC001164820768 720373593 /nfs/dbraw/zinc/37/35/93/720373593.db2.gz UKAVODQQUWJJQM-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1C ZINC001164820768 720373596 /nfs/dbraw/zinc/37/35/96/720373596.db2.gz UKAVODQQUWJJQM-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821103 720374292 /nfs/dbraw/zinc/37/42/92/720374292.db2.gz WPRXCDYUWOGPBH-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821103 720374299 /nfs/dbraw/zinc/37/42/99/720374299.db2.gz WPRXCDYUWOGPBH-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164819521 720376077 /nfs/dbraw/zinc/37/60/77/720376077.db2.gz FNGOWSVDBLPHNB-UHFFFAOYSA-N 1 2 426.590 2.352 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164819521 720376085 /nfs/dbraw/zinc/37/60/85/720376085.db2.gz FNGOWSVDBLPHNB-UHFFFAOYSA-N 1 2 426.590 2.352 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5nnco5)ccn4)CC3)C2=O)cs1 ZINC001164822935 720381609 /nfs/dbraw/zinc/38/16/09/720381609.db2.gz NGSZIQBAQWTZGT-UHFFFAOYSA-N 1 2 439.545 2.210 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5nnco5)ccn4)CC3)C2=O)cs1 ZINC001164822935 720381617 /nfs/dbraw/zinc/38/16/17/720381617.db2.gz NGSZIQBAQWTZGT-UHFFFAOYSA-N 1 2 439.545 2.210 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164822986 720427770 /nfs/dbraw/zinc/42/77/70/720427770.db2.gz FYKVZKDHZJMNMI-HNNXBMFYSA-N 1 2 441.910 2.466 20 0 IEADLO CSc1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828587 720430767 /nfs/dbraw/zinc/43/07/67/720430767.db2.gz XZTTUMRUHTYKIP-AWEZNQCLSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccccc31)C2 ZINC001164821899 720436421 /nfs/dbraw/zinc/43/64/21/720436421.db2.gz ALRMPQKFOATOIP-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccc(Cl)cc31)C2 ZINC001164824162 720438460 /nfs/dbraw/zinc/43/84/60/720438460.db2.gz NCQATEXHVVBIKG-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO CSc1cnc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831318 720455633 /nfs/dbraw/zinc/45/56/33/720455633.db2.gz ORYXICLJEJKHDC-CQSZACIVSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nncc3cc(Cl)ccc31)C2 ZINC001164833144 720455908 /nfs/dbraw/zinc/45/59/08/720455908.db2.gz YYTYBLBZUOQGHB-KRWDZBQOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3cc(Cl)ccc3n1)C2 ZINC001164831745 720456066 /nfs/dbraw/zinc/45/60/66/720456066.db2.gz PFVHOQUVXIMFER-KRWDZBQOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3c(Cl)ccnc3cn1)C2 ZINC001164830818 720460039 /nfs/dbraw/zinc/46/00/39/720460039.db2.gz MGERTTQRXQNONN-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3c(nc1Cl)CCCC3)C2 ZINC001164834118 720482922 /nfs/dbraw/zinc/48/29/22/720482922.db2.gz RTDCTZPKHXWXFR-MRXNPFEDSA-N 1 2 446.983 2.195 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911989 721768362 /nfs/dbraw/zinc/76/83/62/721768362.db2.gz JBKCEHNGIRIWIR-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911989 721768363 /nfs/dbraw/zinc/76/83/63/721768363.db2.gz JBKCEHNGIRIWIR-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913578 721770697 /nfs/dbraw/zinc/77/06/97/721770697.db2.gz XVWWETHWDVIJSG-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913578 721770701 /nfs/dbraw/zinc/77/07/01/721770701.db2.gz XVWWETHWDVIJSG-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CSCC2 ZINC001164912849 721772632 /nfs/dbraw/zinc/77/26/32/721772632.db2.gz QUYFKRBYEVYDLD-NRFANRHFSA-N 1 2 447.992 2.422 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CSCC2 ZINC001164912849 721772633 /nfs/dbraw/zinc/77/26/33/721772633.db2.gz QUYFKRBYEVYDLD-NRFANRHFSA-N 1 2 447.992 2.422 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CSCC2 ZINC001164912851 721773114 /nfs/dbraw/zinc/77/31/14/721773114.db2.gz QUYFKRBYEVYDLD-OAQYLSRUSA-N 1 2 447.992 2.422 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CSCC2 ZINC001164912851 721773119 /nfs/dbraw/zinc/77/31/19/721773119.db2.gz QUYFKRBYEVYDLD-OAQYLSRUSA-N 1 2 447.992 2.422 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C ZINC001164916738 721784738 /nfs/dbraw/zinc/78/47/38/721784738.db2.gz SVSVWUPQKASOIK-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C ZINC001164916738 721784740 /nfs/dbraw/zinc/78/47/40/721784740.db2.gz SVSVWUPQKASOIK-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1c(C)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164916066 721786491 /nfs/dbraw/zinc/78/64/91/721786491.db2.gz OTFINXACYQSEOH-DEOSSOPVSA-N 1 2 440.544 2.378 20 0 IEADLO CCOC(=O)c1c(C)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164916066 721786498 /nfs/dbraw/zinc/78/64/98/721786498.db2.gz OTFINXACYQSEOH-DEOSSOPVSA-N 1 2 440.544 2.378 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915260 721797145 /nfs/dbraw/zinc/79/71/45/721797145.db2.gz UYSSHFJGGDCLHI-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915260 721797148 /nfs/dbraw/zinc/79/71/48/721797148.db2.gz UYSSHFJGGDCLHI-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO CC(C)OC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915712 721799820 /nfs/dbraw/zinc/79/98/20/721799820.db2.gz YRVVPNGUGHOILH-HSZRJFAPSA-N 1 2 426.517 2.150 20 0 IEADLO CC(C)OC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915712 721799823 /nfs/dbraw/zinc/79/98/23/721799823.db2.gz YRVVPNGUGHOILH-HSZRJFAPSA-N 1 2 426.517 2.150 20 0 IEADLO CN(Cc1cccc[nH+]1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)C[C@@H]21 ZINC001165028498 721807732 /nfs/dbraw/zinc/80/77/32/721807732.db2.gz ZEDMDSQRSDHKJC-RYQLBKOJSA-N 1 2 440.573 2.493 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC001164918361 721819081 /nfs/dbraw/zinc/81/90/81/721819081.db2.gz PSLIJBWXTZIHDL-UHFFFAOYSA-N 1 2 444.605 2.202 20 0 IEADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164923483 721827457 /nfs/dbraw/zinc/82/74/57/721827457.db2.gz JAJVETDYDPTRBB-JOCHJYFZSA-N 1 2 446.573 2.358 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164948444 721968960 /nfs/dbraw/zinc/96/89/60/721968960.db2.gz VAACWLGJAWOGPV-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164948444 721968963 /nfs/dbraw/zinc/96/89/63/721968963.db2.gz VAACWLGJAWOGPV-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncc21 ZINC001164945693 721971929 /nfs/dbraw/zinc/97/19/29/721971929.db2.gz QNWAHKPWFBFDML-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncc21 ZINC001164945693 721971933 /nfs/dbraw/zinc/97/19/33/721971933.db2.gz QNWAHKPWFBFDML-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164951395 721980190 /nfs/dbraw/zinc/98/01/90/721980190.db2.gz YSPWYKPQFSQSAG-UHFFFAOYSA-N 1 2 448.571 2.120 20 0 IEADLO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164951395 721980193 /nfs/dbraw/zinc/98/01/93/721980193.db2.gz YSPWYKPQFSQSAG-UHFFFAOYSA-N 1 2 448.571 2.120 20 0 IEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-n5cncn5)nc(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164992494 722186121 /nfs/dbraw/zinc/18/61/21/722186121.db2.gz WKUNMIWJXYWDCT-ZWKOTPCHSA-N 1 2 426.550 2.000 20 0 IEADLO CN1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)CC1 ZINC001164997572 722234482 /nfs/dbraw/zinc/23/44/82/722234482.db2.gz QODLDFZPCBISIV-UHFFFAOYSA-N 1 2 442.011 2.478 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC2)C1=O ZINC001164639158 719278626 /nfs/dbraw/zinc/27/86/26/719278626.db2.gz ISORLNQUIWFJKM-UHFFFAOYSA-N 1 2 442.564 2.189 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC2)C1=O ZINC001164639158 719278635 /nfs/dbraw/zinc/27/86/35/719278635.db2.gz ISORLNQUIWFJKM-UHFFFAOYSA-N 1 2 442.564 2.189 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nc(Cl)nc3C3CC3)CC2)C1=O ZINC001164644892 719284876 /nfs/dbraw/zinc/28/48/76/719284876.db2.gz WIDQZKRNWLEMDF-UHFFFAOYSA-N 1 2 428.364 2.420 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nc(Cl)nc3C3CC3)CC2)C1=O ZINC001164644892 719284877 /nfs/dbraw/zinc/28/48/77/719284877.db2.gz WIDQZKRNWLEMDF-UHFFFAOYSA-N 1 2 428.364 2.420 20 0 IEADLO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2N1C ZINC001164673395 719511438 /nfs/dbraw/zinc/51/14/38/719511438.db2.gz RRCLTHSUQSAVJL-INIZCTEOSA-N 1 2 440.523 2.264 20 0 IEADLO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2N1C ZINC001164673395 719511441 /nfs/dbraw/zinc/51/14/41/719511441.db2.gz RRCLTHSUQSAVJL-INIZCTEOSA-N 1 2 440.523 2.264 20 0 IEADLO COC(=O)c1ccc(-c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)[nH+]c2C)cc1 ZINC001164680911 719584356 /nfs/dbraw/zinc/58/43/56/719584356.db2.gz SDCXBGSRYMHBDJ-UHFFFAOYSA-N 1 2 448.527 2.288 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164701041 719837917 /nfs/dbraw/zinc/83/79/17/719837917.db2.gz LPUKEMPLWHCWFU-MGPUTAFESA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NC1CCCCC1 ZINC001164705815 719841974 /nfs/dbraw/zinc/84/19/74/719841974.db2.gz VVNJIHRZFGSMFK-NTKDMRAZSA-N 1 2 444.576 2.377 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(-c2ccccc2)n1 ZINC001164701408 719849607 /nfs/dbraw/zinc/84/96/07/719849607.db2.gz MDYYPHKRUAGNTR-IERDGZPVSA-N 1 2 431.924 2.425 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164701312 719852916 /nfs/dbraw/zinc/85/29/16/719852916.db2.gz KAPQOYHLSZJHFR-RDTXWAMCSA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)c(OC)cc2n1 ZINC001164701334 719859766 /nfs/dbraw/zinc/85/97/66/719859766.db2.gz KGNSNWCXUVOLKM-UZUQRXQVSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706616 719861032 /nfs/dbraw/zinc/86/10/32/719861032.db2.gz YESGDGVZIQSOAO-UZUQRXQVSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1cc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2s1 ZINC001164705095 719862105 /nfs/dbraw/zinc/86/21/05/719862105.db2.gz SSYPIHZZZQPNAS-SPLOXXLWSA-N 1 2 448.545 2.101 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(OCc2ccccc2)cn1 ZINC001164697837 719863633 /nfs/dbraw/zinc/86/36/33/719863633.db2.gz BHBUEBLXLFFWIP-WMZHIEFXSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(N(C)C)cc2)n1 ZINC001164706072 719864057 /nfs/dbraw/zinc/86/40/57/719864057.db2.gz OMEIOUMTPPWYTG-YKSBVNFPSA-N 1 2 439.560 2.442 20 0 IEADLO COC(=O)c1ccc2cc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ncc2c1 ZINC001164706143 719866110 /nfs/dbraw/zinc/86/61/10/719866110.db2.gz OWEYCPWHRVPYCQ-CVDCTZTESA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)C[C@H](c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1)C1CC1 ZINC001164706244 719866457 /nfs/dbraw/zinc/86/64/57/719866457.db2.gz PGTDCFNWKFIBCN-SKPFHBQLSA-N 1 2 445.560 2.371 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708166 719870240 /nfs/dbraw/zinc/87/02/40/719870240.db2.gz XWVICTNPGXDIBL-GAJHUEQPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)c(OC)cc2cn1 ZINC001164701778 719871328 /nfs/dbraw/zinc/87/13/28/719871328.db2.gz HNURBBVFOZZFBD-WZONZLPQSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C(C)C)no2)ccn1 ZINC001164701812 719874111 /nfs/dbraw/zinc/87/41/11/719874111.db2.gz HTBDPUWXCFCALW-HTAPYJJXSA-N 1 2 429.521 2.488 20 0 IEADLO CSc1nc2ccsc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708354 719905524 /nfs/dbraw/zinc/90/55/24/719905524.db2.gz AIFGXYOPYURXEL-UHFFFAOYSA-N 1 2 443.602 2.097 20 0 IEADLO Cc1ccc(C)c(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)c1 ZINC001164709152 719928251 /nfs/dbraw/zinc/92/82/51/719928251.db2.gz ZSDHPUDFSWWLHR-UHFFFAOYSA-N 1 2 445.571 2.444 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164708913 719928513 /nfs/dbraw/zinc/92/85/13/719928513.db2.gz VBBXLKHKYLCFNI-UHFFFAOYSA-N 1 2 441.486 2.251 20 0 IEADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708831 719935361 /nfs/dbraw/zinc/93/53/61/719935361.db2.gz TVKDPQWPZGJBAZ-UHFFFAOYSA-N 1 2 445.999 2.321 20 0 IEADLO CSc1nc2sccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704205 719936570 /nfs/dbraw/zinc/93/65/70/719936570.db2.gz PNDMXDFAMZPLSV-UHFFFAOYSA-N 1 2 443.602 2.097 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)c(F)cc4nc3Cl)C2)C1 ZINC001164720579 720239282 /nfs/dbraw/zinc/23/92/82/720239282.db2.gz YMGJZSLEOLIUKJ-FQEVSTJZSA-N 1 2 439.894 2.226 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)c(F)cc4nc3Cl)C2)C1 ZINC001164720579 720239289 /nfs/dbraw/zinc/23/92/89/720239289.db2.gz YMGJZSLEOLIUKJ-FQEVSTJZSA-N 1 2 439.894 2.226 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164724606 720309206 /nfs/dbraw/zinc/30/92/06/720309206.db2.gz RZUXGLPLHUYYIO-FQEVSTJZSA-N 1 2 442.938 2.433 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164724606 720309211 /nfs/dbraw/zinc/30/92/11/720309211.db2.gz RZUXGLPLHUYYIO-FQEVSTJZSA-N 1 2 442.938 2.433 20 0 IEADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164724525 720315347 /nfs/dbraw/zinc/31/53/47/720315347.db2.gz QTCNQRKVUKHSOV-HNNXBMFYSA-N 1 2 440.882 2.396 20 0 IEADLO COCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164819314 720371385 /nfs/dbraw/zinc/37/13/85/720371385.db2.gz BWLKCSZHJBQSHX-UHFFFAOYSA-N 1 2 431.562 2.142 20 0 IEADLO COCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164819314 720371389 /nfs/dbraw/zinc/37/13/89/720371389.db2.gz BWLKCSZHJBQSHX-UHFFFAOYSA-N 1 2 431.562 2.142 20 0 IEADLO COC(=O)c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(Cl)n1 ZINC001164828764 720398078 /nfs/dbraw/zinc/39/80/78/720398078.db2.gz KWKFCBPEYUXUBZ-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cc1cc2c(ncnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164826428 720427710 /nfs/dbraw/zinc/42/77/10/720427710.db2.gz QIWWCZHEBGWNRC-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1Cl)C2 ZINC001164823497 720445148 /nfs/dbraw/zinc/44/51/48/720445148.db2.gz KRYSSBXHIGGYPP-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccccn2)n1 ZINC001164831150 720469398 /nfs/dbraw/zinc/46/93/98/720469398.db2.gz MYNMBKYXGXJKLZ-IBGZPJMESA-N 1 2 449.559 2.033 20 0 IEADLO CCCSc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831729 720473182 /nfs/dbraw/zinc/47/31/82/720473182.db2.gz PBNONEWWROXNAE-KRWDZBQOSA-N 1 2 432.594 2.165 20 0 IEADLO COc1cccc2c1ccnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831183 720473367 /nfs/dbraw/zinc/47/33/67/720473367.db2.gz NGFIMMXCWUDILB-SFHVURJKSA-N 1 2 437.544 2.430 20 0 IEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164857836 720896027 /nfs/dbraw/zinc/89/60/27/720896027.db2.gz KDEBDADPRORMAF-UHFFFAOYSA-N 1 2 447.877 2.375 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)[nH]1 ZINC001165009180 721707575 /nfs/dbraw/zinc/70/75/75/721707575.db2.gz RDSAVKMNBGVJLH-UHFFFAOYSA-N 1 2 432.916 2.240 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)[nH]1 ZINC001165009180 721707582 /nfs/dbraw/zinc/70/75/82/721707582.db2.gz RDSAVKMNBGVJLH-UHFFFAOYSA-N 1 2 432.916 2.240 20 0 IEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008568 721715817 /nfs/dbraw/zinc/71/58/17/721715817.db2.gz HHGUBOJNAHZOQJ-UHFFFAOYSA-N 1 2 449.625 2.391 20 0 IEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008568 721715820 /nfs/dbraw/zinc/71/58/20/721715820.db2.gz HHGUBOJNAHZOQJ-UHFFFAOYSA-N 1 2 449.625 2.391 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912156 721767037 /nfs/dbraw/zinc/76/70/37/721767037.db2.gz TYOUGLWAZQQYCA-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912156 721767041 /nfs/dbraw/zinc/76/70/41/721767041.db2.gz TYOUGLWAZQQYCA-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911995 721768172 /nfs/dbraw/zinc/76/81/72/721768172.db2.gz JBKPWQFJLUYDKZ-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911995 721768176 /nfs/dbraw/zinc/76/81/76/721768176.db2.gz JBKPWQFJLUYDKZ-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO COC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164917744 721781617 /nfs/dbraw/zinc/78/16/17/721781617.db2.gz YZCRTGIHNLPPME-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164917744 721781618 /nfs/dbraw/zinc/78/16/18/721781618.db2.gz YZCRTGIHNLPPME-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164915995 721784483 /nfs/dbraw/zinc/78/44/83/721784483.db2.gz NCOCMEONKHMNJQ-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164915995 721784485 /nfs/dbraw/zinc/78/44/85/721784485.db2.gz NCOCMEONKHMNJQ-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914593 721790909 /nfs/dbraw/zinc/79/09/09/721790909.db2.gz FDTGZBQPKMKUGU-ZFTMLNQLSA-N 1 2 438.528 2.079 20 0 IEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914593 721790911 /nfs/dbraw/zinc/79/09/11/721790911.db2.gz FDTGZBQPKMKUGU-ZFTMLNQLSA-N 1 2 438.528 2.079 20 0 IEADLO CC1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164915288 721794651 /nfs/dbraw/zinc/79/46/51/721794651.db2.gz VORREAYUHASOES-DEOSSOPVSA-N 1 2 438.576 2.216 20 0 IEADLO CC1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164915288 721794652 /nfs/dbraw/zinc/79/46/52/721794652.db2.gz VORREAYUHASOES-DEOSSOPVSA-N 1 2 438.576 2.216 20 0 IEADLO CCN(CC)c1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc[nH+]1 ZINC001164920700 721830061 /nfs/dbraw/zinc/83/00/61/721830061.db2.gz HIFGWKHIHOEMQO-NRFANRHFSA-N 1 2 432.594 2.196 20 0 IEADLO CCN(CC)c1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]cn1 ZINC001164920700 721830063 /nfs/dbraw/zinc/83/00/63/721830063.db2.gz HIFGWKHIHOEMQO-NRFANRHFSA-N 1 2 432.594 2.196 20 0 IEADLO CC(=O)Nc1c(C)cc[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164924418 721831162 /nfs/dbraw/zinc/83/11/62/721831162.db2.gz WBDWZJWXKYJNIJ-NRFANRHFSA-N 1 2 431.562 2.221 20 0 IEADLO O=c1ccccn1Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948820 721978935 /nfs/dbraw/zinc/97/89/35/721978935.db2.gz LOAWSPCFFQYIHE-UHFFFAOYSA-N 1 2 443.551 2.263 20 0 IEADLO O=c1ccccn1Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948820 721978939 /nfs/dbraw/zinc/97/89/39/721978939.db2.gz LOAWSPCFFQYIHE-UHFFFAOYSA-N 1 2 443.551 2.263 20 0 IEADLO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953845 722015639 /nfs/dbraw/zinc/01/56/39/722015639.db2.gz ZHYIMGJFUUBSDO-UHFFFAOYSA-N 1 2 426.546 2.249 20 0 IEADLO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953845 722015641 /nfs/dbraw/zinc/01/56/41/722015641.db2.gz ZHYIMGJFUUBSDO-UHFFFAOYSA-N 1 2 426.546 2.249 20 0 IEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(Cn5cncn5)c[nH+]4)CC[C@H]32)cs1 ZINC001164985063 722185165 /nfs/dbraw/zinc/18/51/65/722185165.db2.gz AMNSJYVYPOZNII-WOJBJXKFSA-N 1 2 425.562 2.356 20 0 IEADLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001165007867 722269724 /nfs/dbraw/zinc/26/97/24/722269724.db2.gz YSSJXFRZKDQXDD-JOCHJYFZSA-N 1 2 442.564 2.096 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccnc3C3SCCCS3)CC2)C1=O ZINC001164636720 719271585 /nfs/dbraw/zinc/27/15/85/719271585.db2.gz WCICWWMUXSGGTD-UHFFFAOYSA-N 1 2 437.635 2.105 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccnc3C3SCCCS3)CC2)C1=O ZINC001164636720 719271588 /nfs/dbraw/zinc/27/15/88/719271588.db2.gz WCICWWMUXSGGTD-UHFFFAOYSA-N 1 2 437.635 2.105 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(F)c(F)cc4nc3Cl)CC2)C1=O ZINC001164636732 719272683 /nfs/dbraw/zinc/27/26/83/719272683.db2.gz WHVXZWCBVJCMKC-UHFFFAOYSA-N 1 2 439.894 2.321 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(F)c(F)cc4nc3Cl)CC2)C1=O ZINC001164636732 719272685 /nfs/dbraw/zinc/27/26/85/719272685.db2.gz WHVXZWCBVJCMKC-UHFFFAOYSA-N 1 2 439.894 2.321 20 0 IEADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670563 719520794 /nfs/dbraw/zinc/52/07/94/719520794.db2.gz DMGONOBIUZPZAW-UHFFFAOYSA-N 1 2 448.564 2.390 20 0 IEADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670563 719520802 /nfs/dbraw/zinc/52/08/02/719520802.db2.gz DMGONOBIUZPZAW-UHFFFAOYSA-N 1 2 448.564 2.390 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164701038 719838004 /nfs/dbraw/zinc/83/80/04/719838004.db2.gz LPUKEMPLWHCWFU-FOIQADDNSA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1Cl ZINC001164702736 719841900 /nfs/dbraw/zinc/84/19/00/719841900.db2.gz PJCUMWPPJFUMLV-VLIAUNLRSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164701307 719852730 /nfs/dbraw/zinc/85/27/30/719852730.db2.gz KAPQOYHLSZJHFR-KDOFPFPSSA-N 1 2 433.883 2.435 20 0 IEADLO CCOC(=O)c1cc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2s1 ZINC001164705094 719862001 /nfs/dbraw/zinc/86/20/01/719862001.db2.gz SSYPIHZZZQPNAS-QKKBWIMNSA-N 1 2 448.545 2.101 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccc(OC)c2)n1 ZINC001164698492 719862148 /nfs/dbraw/zinc/86/21/48/719862148.db2.gz CRCJNSCTWYBCDH-WZONZLPQSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccc(OC)c2)n1 ZINC001164698491 719862246 /nfs/dbraw/zinc/86/22/46/719862246.db2.gz CRCJNSCTWYBCDH-MBSDFSHPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(OCc2ccccc2)cn1 ZINC001164697835 719863331 /nfs/dbraw/zinc/86/33/31/719863331.db2.gz BHBUEBLXLFFWIP-CVDCTZTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(N(C)C)cc2)n1 ZINC001164706071 719864149 /nfs/dbraw/zinc/86/41/49/719864149.db2.gz OMEIOUMTPPWYTG-RDPSFJRHSA-N 1 2 439.560 2.442 20 0 IEADLO COC(=O)c1ccc2cc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ncc2c1 ZINC001164706148 719865856 /nfs/dbraw/zinc/86/58/56/719865856.db2.gz OWEYCPWHRVPYCQ-XXBNENTESA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccn2)nc(C)c1C ZINC001164704379 719873397 /nfs/dbraw/zinc/87/33/97/719873397.db2.gz LJEIEGWSWPJUQS-FDDCHVKYSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2c1CCC2 ZINC001164701793 719873984 /nfs/dbraw/zinc/87/39/84/719873984.db2.gz HSHRQHPRMPFXHN-HOYKHHGWSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2-c1ccccc1 ZINC001164705050 719875607 /nfs/dbraw/zinc/87/56/07/719875607.db2.gz NGIRBIPFAYMSTE-JPYJTQIMSA-N 1 2 436.516 2.048 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(cc(OC)cc2OC)n1 ZINC001164699817 719877018 /nfs/dbraw/zinc/87/70/18/719877018.db2.gz BNZFPBGNQQFAHU-QMHKHESXSA-N 1 2 429.517 2.485 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164709011 719906148 /nfs/dbraw/zinc/90/61/48/719906148.db2.gz PHVWUPDJTKEJLO-UHFFFAOYSA-N 1 2 442.873 2.103 20 0 IEADLO CSc1nc2ccccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708660 719912072 /nfs/dbraw/zinc/91/20/72/719912072.db2.gz FPCMXUNVMJQCFL-UHFFFAOYSA-N 1 2 437.573 2.036 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)c(F)cc4nc3Cl)C2)C1 ZINC001164720581 720239875 /nfs/dbraw/zinc/23/98/75/720239875.db2.gz YMGJZSLEOLIUKJ-HXUWFJFHSA-N 1 2 439.894 2.226 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)c(F)cc4nc3Cl)C2)C1 ZINC001164720581 720239883 /nfs/dbraw/zinc/23/98/83/720239883.db2.gz YMGJZSLEOLIUKJ-HXUWFJFHSA-N 1 2 439.894 2.226 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164718729 720251758 /nfs/dbraw/zinc/25/17/58/720251758.db2.gz HZAVMDUAMHEFKH-LJQANCHMSA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164718729 720251760 /nfs/dbraw/zinc/25/17/60/720251760.db2.gz HZAVMDUAMHEFKH-LJQANCHMSA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164722230 720294326 /nfs/dbraw/zinc/29/43/26/720294326.db2.gz OVQGNTUTWQRQQA-DEOSSOPVSA-N 1 2 442.535 2.465 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164722230 720294334 /nfs/dbraw/zinc/29/43/34/720294334.db2.gz OVQGNTUTWQRQQA-DEOSSOPVSA-N 1 2 442.535 2.465 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc(Cl)n4)CC3)C2=O)cs1 ZINC001164824003 720364939 /nfs/dbraw/zinc/36/49/39/720364939.db2.gz GPXFBMRUPFAEKU-UHFFFAOYSA-N 1 2 442.376 2.257 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc(Cl)n4)CC3)C2=O)cs1 ZINC001164824003 720364945 /nfs/dbraw/zinc/36/49/45/720364945.db2.gz GPXFBMRUPFAEKU-UHFFFAOYSA-N 1 2 442.376 2.257 20 0 IEADLO CC(=O)Nc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821187 720369725 /nfs/dbraw/zinc/36/97/25/720369725.db2.gz ZXUUTVLWONZUAO-UHFFFAOYSA-N 1 2 428.562 2.118 20 0 IEADLO CC(=O)Nc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821187 720369732 /nfs/dbraw/zinc/36/97/32/720369732.db2.gz ZXUUTVLWONZUAO-UHFFFAOYSA-N 1 2 428.562 2.118 20 0 IEADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164819819 720370559 /nfs/dbraw/zinc/37/05/59/720370559.db2.gz INTIRDDJLBZMCH-UHFFFAOYSA-N 1 2 431.562 2.177 20 0 IEADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164819819 720370567 /nfs/dbraw/zinc/37/05/67/720370567.db2.gz INTIRDDJLBZMCH-UHFFFAOYSA-N 1 2 431.562 2.177 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(OCC5CC5)ncn4)CC3)C2=O)cs1 ZINC001164820236 720373440 /nfs/dbraw/zinc/37/34/40/720373440.db2.gz MQNGVLBZPPLDDC-UHFFFAOYSA-N 1 2 442.589 2.344 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(OCC5CC5)ncn4)CC3)C2=O)cs1 ZINC001164820236 720373446 /nfs/dbraw/zinc/37/34/46/720373446.db2.gz MQNGVLBZPPLDDC-UHFFFAOYSA-N 1 2 442.589 2.344 20 0 IEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164826906 720397804 /nfs/dbraw/zinc/39/78/04/720397804.db2.gz DYIHPIWBQGDXIE-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828188 720398585 /nfs/dbraw/zinc/39/85/85/720398585.db2.gz ITIUTGXYRCBDJF-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO CSc1ncc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822703 720438359 /nfs/dbraw/zinc/43/83/59/720438359.db2.gz GRAYGBVNCCETAE-AWEZNQCLSA-N 1 2 438.985 2.038 20 0 IEADLO COc1cccc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164824671 720440561 /nfs/dbraw/zinc/44/05/61/720440561.db2.gz OZUFXDBYDQFILQ-IBGZPJMESA-N 1 2 437.544 2.430 20 0 IEADLO COc1cccc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164824673 720441141 /nfs/dbraw/zinc/44/11/41/720441141.db2.gz OZUFXDBYDQFILQ-LJQANCHMSA-N 1 2 437.544 2.430 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)ccc31)C2 ZINC001164824039 720444560 /nfs/dbraw/zinc/44/45/60/720444560.db2.gz LJRGSMVIEKVALY-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3ccc(Cl)nc3cn1)C2 ZINC001164828708 720455666 /nfs/dbraw/zinc/45/56/66/720455666.db2.gz ADZNXKNMDAMNAD-KRWDZBQOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(Cl)cccc3n1)C2 ZINC001164831776 720457122 /nfs/dbraw/zinc/45/71/22/720457122.db2.gz QFOLEJGERQKTFX-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO CSc1ncc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829150 720468076 /nfs/dbraw/zinc/46/80/76/720468076.db2.gz CRXVZQQQOQLVMO-CQSZACIVSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3cccs3)ncn1)C2 ZINC001164829863 720473882 /nfs/dbraw/zinc/47/38/82/720473882.db2.gz HMJCCGQXIZJSJH-KRWDZBQOSA-N 1 2 440.573 2.391 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833238 720475656 /nfs/dbraw/zinc/47/56/56/720475656.db2.gz ZMOVJUBWQIIMAG-HXUWFJFHSA-N 1 2 449.559 2.033 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(COC3CCC3)cn1)C2 ZINC001164834476 720478635 /nfs/dbraw/zinc/47/86/35/720478635.db2.gz SJLWYCFTGQCCKY-HXUWFJFHSA-N 1 2 441.576 2.337 20 0 IEADLO CC(C)c1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830921 720479102 /nfs/dbraw/zinc/47/91/02/720479102.db2.gz CLLZGRNOHLQROJ-INIZCTEOSA-N 1 2 434.972 2.440 20 0 IEADLO CC(C)c1c(Cl)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830922 720479471 /nfs/dbraw/zinc/47/94/71/720479471.db2.gz CLLZGRNOHLQROJ-MRXNPFEDSA-N 1 2 434.972 2.440 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3c(nc1Cl)CCCC3)C2 ZINC001164834117 720482104 /nfs/dbraw/zinc/48/21/04/720482104.db2.gz RTDCTZPKHXWXFR-INIZCTEOSA-N 1 2 446.983 2.195 20 0 IEADLO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852160 720818416 /nfs/dbraw/zinc/81/84/16/720818416.db2.gz ZITSHUCFDDJAKH-ZLNRFVROSA-N 1 2 449.555 2.325 20 0 IEADLO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852160 720818418 /nfs/dbraw/zinc/81/84/18/720818418.db2.gz ZITSHUCFDDJAKH-ZLNRFVROSA-N 1 2 449.555 2.325 20 0 IEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)nn1 ZINC001164778913 721309354 /nfs/dbraw/zinc/30/93/54/721309354.db2.gz ZTKSURHUAGMKAG-DHIUTWEWSA-N 1 2 443.555 2.227 20 0 IEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)nn1 ZINC001164778913 721309356 /nfs/dbraw/zinc/30/93/56/721309356.db2.gz ZTKSURHUAGMKAG-DHIUTWEWSA-N 1 2 443.555 2.227 20 0 IEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]32)nn1 ZINC001164778914 721309360 /nfs/dbraw/zinc/30/93/60/721309360.db2.gz ZTKSURHUAGMKAG-GOTSBHOMSA-N 1 2 443.555 2.227 20 0 IEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]32)nn1 ZINC001164778914 721309361 /nfs/dbraw/zinc/30/93/61/721309361.db2.gz ZTKSURHUAGMKAG-GOTSBHOMSA-N 1 2 443.555 2.227 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164886602 721455031 /nfs/dbraw/zinc/45/50/31/721455031.db2.gz HXZWLXHVHDWZRK-ZRBLBEILSA-N 1 2 433.556 2.297 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164886602 721455033 /nfs/dbraw/zinc/45/50/33/721455033.db2.gz HXZWLXHVHDWZRK-ZRBLBEILSA-N 1 2 433.556 2.297 20 0 IEADLO COC(=O)c1nc(Cl)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165010535 721721326 /nfs/dbraw/zinc/72/13/26/721721326.db2.gz IMXZCZFIBMXXJC-UHFFFAOYSA-N 1 2 428.324 2.412 20 0 IEADLO COC(=O)c1nc(Cl)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165010535 721721335 /nfs/dbraw/zinc/72/13/35/721721335.db2.gz IMXZCZFIBMXXJC-UHFFFAOYSA-N 1 2 428.324 2.412 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912484 721769914 /nfs/dbraw/zinc/76/99/14/721769914.db2.gz MKWNJJYUJGVXQF-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912484 721769915 /nfs/dbraw/zinc/76/99/15/721769915.db2.gz MKWNJJYUJGVXQF-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)/C=C/c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910980 721770204 /nfs/dbraw/zinc/77/02/04/721770204.db2.gz DARYVZJWMLXRQT-PRSVDJLGSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C/c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910980 721770207 /nfs/dbraw/zinc/77/02/07/721770207.db2.gz DARYVZJWMLXRQT-PRSVDJLGSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)c1cc(C)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912671 721773371 /nfs/dbraw/zinc/77/33/71/721773371.db2.gz OGDVADZCQODELL-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(C)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912671 721773372 /nfs/dbraw/zinc/77/33/72/721773372.db2.gz OGDVADZCQODELL-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ncccc12 ZINC001164916294 721783056 /nfs/dbraw/zinc/78/30/56/721783056.db2.gz PLNGEVUSZFVMQC-NRFANRHFSA-N 1 2 426.908 2.181 20 0 IEADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ncccc12 ZINC001164916294 721783061 /nfs/dbraw/zinc/78/30/61/721783061.db2.gz PLNGEVUSZFVMQC-NRFANRHFSA-N 1 2 426.908 2.181 20 0 IEADLO CCOC(=O)/C=C\c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164916609 721788341 /nfs/dbraw/zinc/78/83/41/721788341.db2.gz RAUUVSARFZVXBK-XTGFCRJSSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C\c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164916609 721788347 /nfs/dbraw/zinc/78/83/47/721788347.db2.gz RAUUVSARFZVXBK-XTGFCRJSSA-N 1 2 438.528 2.161 20 0 IEADLO CCCSc1ncnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164915239 721801125 /nfs/dbraw/zinc/80/11/25/721801125.db2.gz UNBUTLOODIEYHB-QFIPXVFZSA-N 1 2 445.589 2.490 20 0 IEADLO CCCSc1ncnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164915239 721801126 /nfs/dbraw/zinc/80/11/26/721801126.db2.gz UNBUTLOODIEYHB-QFIPXVFZSA-N 1 2 445.589 2.490 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1C ZINC001164919019 721818258 /nfs/dbraw/zinc/81/82/58/721818258.db2.gz YQSVRHMTGFHJRN-UHFFFAOYSA-N 1 2 443.939 2.354 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCCCC5)[nH+]cn4)CCO3)C2)cs1 ZINC001164921371 721831906 /nfs/dbraw/zinc/83/19/06/721831906.db2.gz KCLDLXFFNCYBFK-JOCHJYFZSA-N 1 2 444.605 2.340 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCCCC5)nc[nH+]4)CCO3)C2)cs1 ZINC001164921371 721831907 /nfs/dbraw/zinc/83/19/07/721831907.db2.gz KCLDLXFFNCYBFK-JOCHJYFZSA-N 1 2 444.605 2.340 20 0 IEADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001164936595 721907001 /nfs/dbraw/zinc/90/70/01/721907001.db2.gz RLBNBDHUEKNIMQ-PLNGDYQASA-N 1 2 425.533 2.181 20 0 IEADLO C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)[nH+]cn2)C1 ZINC001164935982 721909121 /nfs/dbraw/zinc/90/91/21/721909121.db2.gz RBPJIZIVPBWDJY-LJQANCHMSA-N 1 2 425.581 2.318 20 0 IEADLO C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)nc[nH+]2)C1 ZINC001164935982 721909125 /nfs/dbraw/zinc/90/91/25/721909125.db2.gz RBPJIZIVPBWDJY-LJQANCHMSA-N 1 2 425.581 2.318 20 0 IEADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(OC)c1 ZINC001164947065 721975647 /nfs/dbraw/zinc/97/56/47/721975647.db2.gz NMKHUQIERIXNAN-UHFFFAOYSA-N 1 2 438.528 2.238 20 0 IEADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(OC)c1 ZINC001164947065 721975649 /nfs/dbraw/zinc/97/56/49/721975649.db2.gz NMKHUQIERIXNAN-UHFFFAOYSA-N 1 2 438.528 2.238 20 0 IEADLO COC[C@]12COC[C@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164953387 721993847 /nfs/dbraw/zinc/99/38/47/721993847.db2.gz RVDIOSHHPSIUSP-PXDATVDWSA-N 1 2 436.556 2.139 20 0 IEADLO Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000253398575 569264871 /nfs/dbraw/zinc/26/48/71/569264871.db2.gz XQJGYNGFMPFZKT-UHFFFAOYSA-N 1 2 425.924 2.116 20 0 IEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(=O)CO3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164390296 718827407 /nfs/dbraw/zinc/82/74/07/718827407.db2.gz NOAVISQUJNXUGR-KRWDZBQOSA-N 1 2 444.576 2.209 20 0 IEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(=O)CO3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164390296 718827409 /nfs/dbraw/zinc/82/74/09/718827409.db2.gz NOAVISQUJNXUGR-KRWDZBQOSA-N 1 2 444.576 2.209 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(COC)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164633857 719268751 /nfs/dbraw/zinc/26/87/51/719268751.db2.gz IZGLUTPJLSYOLB-UHFFFAOYSA-N 1 2 439.560 2.049 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(COC)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164633857 719268752 /nfs/dbraw/zinc/26/87/52/719268752.db2.gz IZGLUTPJLSYOLB-UHFFFAOYSA-N 1 2 439.560 2.049 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164641937 719278062 /nfs/dbraw/zinc/27/80/62/719278062.db2.gz VCWYKWHVSHPJGJ-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164641937 719278066 /nfs/dbraw/zinc/27/80/66/719278066.db2.gz VCWYKWHVSHPJGJ-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164641210 719279008 /nfs/dbraw/zinc/27/90/08/719279008.db2.gz UMRGLEDRYKFDKO-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164641210 719279011 /nfs/dbraw/zinc/27/90/11/719279011.db2.gz UMRGLEDRYKFDKO-UHFFFAOYSA-N 1 2 429.496 2.167 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701073 719838696 /nfs/dbraw/zinc/83/86/96/719838696.db2.gz LUBPTFPBNLWSPG-VBKZILBWSA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701630 719849090 /nfs/dbraw/zinc/84/90/90/719849090.db2.gz MOSZXRSEZFGDGX-QVKFZJNVSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701629 719849114 /nfs/dbraw/zinc/84/91/14/719849114.db2.gz MOSZXRSEZFGDGX-BTYIYWSLSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)c1ccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc2c1 ZINC001164706390 719851135 /nfs/dbraw/zinc/85/11/35/719851135.db2.gz WXDCEDPYHWZIMD-JPYJTQIMSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164697748 719857711 /nfs/dbraw/zinc/85/77/11/719857711.db2.gz AAFGMCBDYYKPNI-QVKFZJNVSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OCc2ccccc2)cnn1 ZINC001164699439 719858834 /nfs/dbraw/zinc/85/88/34/719858834.db2.gz FFOZTPHGCHTIME-AUSIDOKSSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164702943 719860265 /nfs/dbraw/zinc/86/02/65/719860265.db2.gz OIKRELQCVAWHJD-KBXCAEBGSA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccc(OC)c2)n1 ZINC001164698490 719862063 /nfs/dbraw/zinc/86/20/63/719862063.db2.gz CRCJNSCTWYBCDH-JPYJTQIMSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C(C)C ZINC001164702405 719862611 /nfs/dbraw/zinc/86/26/11/719862611.db2.gz MTTBPTPGKLLAAY-JLTOFOAXSA-N 1 2 436.944 2.293 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC1 ZINC001164706646 719866465 /nfs/dbraw/zinc/86/64/65/719866465.db2.gz QGDIHTPATXZKKW-HOYKHHGWSA-N 1 2 439.560 2.463 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCC(C)CC1 ZINC001164707197 719867831 /nfs/dbraw/zinc/86/78/31/719867831.db2.gz RCQGEMBBESYXNP-CYFREDJKSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 ZINC001164707425 719867904 /nfs/dbraw/zinc/86/79/04/719867904.db2.gz SKBSLYXIWLXNRE-WWEVIYMKSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708168 719870210 /nfs/dbraw/zinc/87/02/10/719870210.db2.gz XWVICTNPGXDIBL-SBUREZEXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(OC)cc2)ncn1 ZINC001164708500 719870883 /nfs/dbraw/zinc/87/08/83/719870883.db2.gz ZMBXRLRWSWYIHC-MBSDFSHPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc(C)c1C ZINC001164704338 719873631 /nfs/dbraw/zinc/87/36/31/719873631.db2.gz LDXOIQDZCANXOD-AUSIDOKSSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164708163 719874073 /nfs/dbraw/zinc/87/40/73/719874073.db2.gz XWFYXFYMNOJQLD-KOSHJBKYSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2c1CCC2 ZINC001164701797 719874132 /nfs/dbraw/zinc/87/41/32/719874132.db2.gz HSHRQHPRMPFXHN-MHECFPHRSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2sc(C)nc2C)nn1 ZINC001164704456 719874948 /nfs/dbraw/zinc/87/49/48/719874948.db2.gz MJIGPRKCGLOCHM-IERDGZPVSA-N 1 2 431.562 2.450 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164709502 719904815 /nfs/dbraw/zinc/90/48/15/719904815.db2.gz WWFUNHBDDARJOI-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164708860 719907381 /nfs/dbraw/zinc/90/73/81/719907381.db2.gz KRMIXMAYALVSQA-UHFFFAOYSA-N 1 2 442.873 2.103 20 0 IEADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2cccs2)n1 ZINC001164708145 719928592 /nfs/dbraw/zinc/92/85/92/719928592.db2.gz FJLDIKKMIZNXHZ-UHFFFAOYSA-N 1 2 437.573 2.197 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164709040 719938254 /nfs/dbraw/zinc/93/82/54/719938254.db2.gz WZBGMNFQPKDQOX-UHFFFAOYSA-N 1 2 441.536 2.028 20 0 IEADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164826833 720359019 /nfs/dbraw/zinc/35/90/19/720359019.db2.gz ZPTJVLLPXDJPJQ-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164826833 720359025 /nfs/dbraw/zinc/35/90/25/720359025.db2.gz ZPTJVLLPXDJPJQ-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823104 720361937 /nfs/dbraw/zinc/36/19/37/720361937.db2.gz AOBYEPASOVTGHC-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823104 720361943 /nfs/dbraw/zinc/36/19/43/720361943.db2.gz AOBYEPASOVTGHC-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(SC)n1 ZINC001164820593 720369386 /nfs/dbraw/zinc/36/93/86/720369386.db2.gz PZIMBFLCUQJJCJ-UHFFFAOYSA-N 1 2 448.618 2.285 20 0 IEADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(SC)n1 ZINC001164820593 720369393 /nfs/dbraw/zinc/36/93/93/720369393.db2.gz PZIMBFLCUQJJCJ-UHFFFAOYSA-N 1 2 448.618 2.285 20 0 IEADLO COC(=O)c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164830191 720397827 /nfs/dbraw/zinc/39/78/27/720397827.db2.gz QREQMULAYVZSLG-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164825589 720430087 /nfs/dbraw/zinc/43/00/87/720430087.db2.gz OBZWWPYFCAIEMZ-OAHLLOKOSA-N 1 2 441.910 2.466 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccc(Cl)cc31)C2 ZINC001164824163 720437933 /nfs/dbraw/zinc/43/79/33/720437933.db2.gz NCQATEXHVVBIKG-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164822439 720442284 /nfs/dbraw/zinc/44/22/84/720442284.db2.gz FDBIAUUCPBBZJH-QRWLVFNGSA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3nccc(Cl)c3cn1)C2 ZINC001164825315 720450499 /nfs/dbraw/zinc/45/04/99/720450499.db2.gz REOQYYBLPAVEGJ-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO CSc1nc(Cl)ncc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824542 720451727 /nfs/dbraw/zinc/45/17/27/720451727.db2.gz NTYIUUJTJVYNDQ-AWEZNQCLSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccoc31)C2 ZINC001164833243 720462243 /nfs/dbraw/zinc/46/22/43/720462243.db2.gz ZOVNHNIXEFQJIX-AWEZNQCLSA-N 1 2 432.912 2.062 20 0 IEADLO CSc1ncc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829147 720468191 /nfs/dbraw/zinc/46/81/91/720468191.db2.gz CRXVZQQQOQLVMO-AWEZNQCLSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)ncn1)C2 ZINC001164829723 720469709 /nfs/dbraw/zinc/46/97/09/720469709.db2.gz GUOYNJCDSCGALD-HXUWFJFHSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccncc3)cn1)C2 ZINC001164833245 720470176 /nfs/dbraw/zinc/47/01/76/720470176.db2.gz ZVBZGPSEHLZBPB-NRFANRHFSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(-c3ccccc3)cn1)C2 ZINC001164829592 720470536 /nfs/dbraw/zinc/47/05/36/720470536.db2.gz GEYCGQRVOANFKF-FQEVSTJZSA-N 1 2 434.544 2.330 20 0 IEADLO Cc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)o1 ZINC001164833130 720475038 /nfs/dbraw/zinc/47/50/38/720475038.db2.gz YUCLFLABYVDUPD-GOSISDBHSA-N 1 2 438.532 2.231 20 0 IEADLO Cc1csc2nc(C)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164831772 720475544 /nfs/dbraw/zinc/47/55/44/720475544.db2.gz QBSWNCXTAIUGFH-QGZVFWFLSA-N 1 2 442.589 2.494 20 0 IEADLO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852158 720818439 /nfs/dbraw/zinc/81/84/39/720818439.db2.gz ZITSHUCFDDJAKH-VABKMULXSA-N 1 2 449.555 2.325 20 0 IEADLO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852158 720818442 /nfs/dbraw/zinc/81/84/42/720818442.db2.gz ZITSHUCFDDJAKH-VABKMULXSA-N 1 2 449.555 2.325 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001165010966 721697465 /nfs/dbraw/zinc/69/74/65/721697465.db2.gz YGVPNMPGVHPOSB-UHFFFAOYSA-N 1 2 442.593 2.370 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001165010966 721697472 /nfs/dbraw/zinc/69/74/72/721697472.db2.gz YGVPNMPGVHPOSB-UHFFFAOYSA-N 1 2 442.593 2.370 20 0 IEADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912491 721766898 /nfs/dbraw/zinc/76/68/98/721766898.db2.gz MPRLHJCOZRRDCD-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912491 721766901 /nfs/dbraw/zinc/76/69/01/721766901.db2.gz MPRLHJCOZRRDCD-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912158 721767104 /nfs/dbraw/zinc/76/71/04/721767104.db2.gz TYOUGLWAZQQYCA-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912158 721767109 /nfs/dbraw/zinc/76/71/09/721767109.db2.gz TYOUGLWAZQQYCA-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164910327 721768099 /nfs/dbraw/zinc/76/80/99/721768099.db2.gz BDYNKERNKYWSJD-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164910327 721768103 /nfs/dbraw/zinc/76/81/03/721768103.db2.gz BDYNKERNKYWSJD-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ncccc12 ZINC001164916296 721783483 /nfs/dbraw/zinc/78/34/83/721783483.db2.gz PLNGEVUSZFVMQC-OAQYLSRUSA-N 1 2 426.908 2.181 20 0 IEADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ncccc12 ZINC001164916296 721783484 /nfs/dbraw/zinc/78/34/84/721783484.db2.gz PLNGEVUSZFVMQC-OAQYLSRUSA-N 1 2 426.908 2.181 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C ZINC001164916736 721784791 /nfs/dbraw/zinc/78/47/91/721784791.db2.gz SVSVWUPQKASOIK-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C ZINC001164916736 721784794 /nfs/dbraw/zinc/78/47/94/721784794.db2.gz SVSVWUPQKASOIK-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccccn2)n1 ZINC001164914686 721792954 /nfs/dbraw/zinc/79/29/54/721792954.db2.gz QDCXSBGGUJEUJY-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccccn2)n1 ZINC001164914686 721792958 /nfs/dbraw/zinc/79/29/58/721792958.db2.gz QDCXSBGGUJEUJY-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccccn2)n1 ZINC001164914687 721793178 /nfs/dbraw/zinc/79/31/78/721793178.db2.gz QDCXSBGGUJEUJY-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccccn2)n1 ZINC001164914687 721793180 /nfs/dbraw/zinc/79/31/80/721793180.db2.gz QDCXSBGGUJEUJY-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO CC(C)OC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915713 721800136 /nfs/dbraw/zinc/80/01/36/721800136.db2.gz YRVVPNGUGHOILH-QHCPKHFHSA-N 1 2 426.517 2.150 20 0 IEADLO CC(C)OC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915713 721800137 /nfs/dbraw/zinc/80/01/37/721800137.db2.gz YRVVPNGUGHOILH-QHCPKHFHSA-N 1 2 426.517 2.150 20 0 IEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164919000 721819909 /nfs/dbraw/zinc/81/99/09/721819909.db2.gz YHMLJTYSXZGPJV-UHFFFAOYSA-N 1 2 446.621 2.495 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(N5CCCC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918116 721822605 /nfs/dbraw/zinc/82/26/05/721822605.db2.gz BQENSKWGHRCMFX-JOCHJYFZSA-N 1 2 444.605 2.258 20 0 IEADLO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164935612 721892756 /nfs/dbraw/zinc/89/27/56/721892756.db2.gz WBPOCKBMEZJZMP-FCHUYYIVSA-N 1 2 433.556 2.239 20 0 IEADLO O=C(c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1)N1CCCC1 ZINC001164948159 721976492 /nfs/dbraw/zinc/97/64/92/721976492.db2.gz USVVKLWSVWRILW-UHFFFAOYSA-N 1 2 433.556 2.289 20 0 IEADLO O=C(c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1)N1CCCC1 ZINC001164948159 721976495 /nfs/dbraw/zinc/97/64/95/721976495.db2.gz USVVKLWSVWRILW-UHFFFAOYSA-N 1 2 433.556 2.289 20 0 IEADLO COc1cc2c[nH+]c(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)cc2cc1OC ZINC001165001077 722238057 /nfs/dbraw/zinc/23/80/57/722238057.db2.gz BFPFOLWZVAAGKK-UHFFFAOYSA-N 1 2 434.544 2.399 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4c[nH]c5ccccc54)n3)CC2)C1=O ZINC001164636817 719273934 /nfs/dbraw/zinc/27/39/34/719273934.db2.gz XJCPBGCGTNWFEO-UHFFFAOYSA-N 1 2 434.544 2.384 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4c[nH]c5ccccc54)n3)CC2)C1=O ZINC001164636817 719273937 /nfs/dbraw/zinc/27/39/37/719273937.db2.gz XJCPBGCGTNWFEO-UHFFFAOYSA-N 1 2 434.544 2.384 20 0 IEADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705780 719848867 /nfs/dbraw/zinc/84/88/67/719848867.db2.gz VPKHQBCAPTVXPP-BTYIYWSLSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701631 719848905 /nfs/dbraw/zinc/84/89/05/719848905.db2.gz MOSZXRSEZFGDGX-VFNWGFHPSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C ZINC001164706927 719853801 /nfs/dbraw/zinc/85/38/01/719853801.db2.gz ZQPKSBFVDHDFAZ-VFNWGFHPSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164701359 719856031 /nfs/dbraw/zinc/85/60/31/719856031.db2.gz KGZZFVAHHFZKTF-YWZLYKJASA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164697747 719857984 /nfs/dbraw/zinc/85/79/84/719857984.db2.gz AAFGMCBDYYKPNI-BTYIYWSLSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccc(OC)c2)n1 ZINC001164698489 719862047 /nfs/dbraw/zinc/86/20/47/719862047.db2.gz CRCJNSCTWYBCDH-FDDCHVKYSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCC(C)CC1 ZINC001164707199 719867671 /nfs/dbraw/zinc/86/76/71/719867671.db2.gz RCQGEMBBESYXNP-NTKDMRAZSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2OC)nn1 ZINC001164702863 719868628 /nfs/dbraw/zinc/86/86/28/719868628.db2.gz JCEHSKKCBSGYPX-UZUQRXQVSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001164702317 719875724 /nfs/dbraw/zinc/87/57/24/719875724.db2.gz IFPUDRAIAIKKRM-VGSWGCGISA-N 1 2 427.505 2.242 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2-c1ccccc1 ZINC001164705051 719875814 /nfs/dbraw/zinc/87/58/14/719875814.db2.gz NGIRBIPFAYMSTE-MBSDFSHPSA-N 1 2 436.516 2.048 20 0 IEADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c(C)cc2c1 ZINC001164704856 719931833 /nfs/dbraw/zinc/93/18/33/719931833.db2.gz VECFJISWQOKQBB-UHFFFAOYSA-N 1 2 434.544 2.236 20 0 IEADLO CC[C@H](C)c1nc2[nH]ccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164714165 720049515 /nfs/dbraw/zinc/04/95/15/720049515.db2.gz PRCSFBRFXJCSAA-HNNXBMFYSA-N 1 2 436.564 2.155 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721566 720268197 /nfs/dbraw/zinc/26/81/97/720268197.db2.gz LEZQSAHJVXZMRG-DEOSSOPVSA-N 1 2 440.544 2.076 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721566 720268209 /nfs/dbraw/zinc/26/82/09/720268209.db2.gz LEZQSAHJVXZMRG-DEOSSOPVSA-N 1 2 440.544 2.076 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164722890 720271543 /nfs/dbraw/zinc/27/15/43/720271543.db2.gz SYDCPIHWLDFBHH-QHCPKHFHSA-N 1 2 443.979 2.386 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164722890 720271549 /nfs/dbraw/zinc/27/15/49/720271549.db2.gz SYDCPIHWLDFBHH-QHCPKHFHSA-N 1 2 443.979 2.386 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164720563 720275983 /nfs/dbraw/zinc/27/59/83/720275983.db2.gz AYMCSKNXLRMMEH-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164720563 720275994 /nfs/dbraw/zinc/27/59/94/720275994.db2.gz AYMCSKNXLRMMEH-QFIPXVFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164724212 720294038 /nfs/dbraw/zinc/29/40/38/720294038.db2.gz ZNTUZJXEURVVSO-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164724212 720294053 /nfs/dbraw/zinc/29/40/53/720294053.db2.gz ZNTUZJXEURVVSO-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO Cc1nc(CN2CCN(C)C3(CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164828406 720357410 /nfs/dbraw/zinc/35/74/10/720357410.db2.gz OSWCKRPVJUQXGR-UHFFFAOYSA-N 1 2 441.605 2.437 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c4ncn5C)CC3)C2=O)cs1 ZINC001164823179 720361959 /nfs/dbraw/zinc/36/19/59/720361959.db2.gz BLJZCLPICPVITG-UHFFFAOYSA-N 1 2 425.562 2.046 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c4ncn5C)CC3)C2=O)cs1 ZINC001164823179 720361966 /nfs/dbraw/zinc/36/19/66/720361966.db2.gz BLJZCLPICPVITG-UHFFFAOYSA-N 1 2 425.562 2.046 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4OC(C)C)CC3)C2=O)cs1 ZINC001164821733 720382086 /nfs/dbraw/zinc/38/20/86/720382086.db2.gz IHUISDVRRQBZSO-UHFFFAOYSA-N 1 2 430.578 2.342 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4OC(C)C)CC3)C2=O)cs1 ZINC001164821733 720382092 /nfs/dbraw/zinc/38/20/92/720382092.db2.gz IHUISDVRRQBZSO-UHFFFAOYSA-N 1 2 430.578 2.342 20 0 IEADLO COc1ncc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826044 720383319 /nfs/dbraw/zinc/38/33/19/720383319.db2.gz WIVGZPZOSBKXBX-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COc1ncc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826044 720383325 /nfs/dbraw/zinc/38/33/25/720383325.db2.gz WIVGZPZOSBKXBX-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO Cc1csc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164825688 720429303 /nfs/dbraw/zinc/42/93/03/720429303.db2.gz ONKSGCARIJQVDJ-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cc1csc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164825691 720429346 /nfs/dbraw/zinc/42/93/46/720429346.db2.gz ONKSGCARIJQVDJ-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164827086 720430375 /nfs/dbraw/zinc/43/03/75/720430375.db2.gz QWWKIFXPRCYGPH-OAHLLOKOSA-N 1 2 441.910 2.466 20 0 IEADLO Cc1sc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1C ZINC001164824136 720436003 /nfs/dbraw/zinc/43/60/03/720436003.db2.gz MORPTUISNQCOTH-QGZVFWFLSA-N 1 2 442.589 2.494 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3ccccc3)n1)C2 ZINC001164824151 720436218 /nfs/dbraw/zinc/43/62/18/720436218.db2.gz MUBIAWZIJRSHAW-HXUWFJFHSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(Cl)ccnc31)C2 ZINC001164825228 720436437 /nfs/dbraw/zinc/43/64/37/720436437.db2.gz QRDMTAZBYRVAJZ-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3cccc(Cl)c3n1)C2 ZINC001164823423 720439829 /nfs/dbraw/zinc/43/98/29/720439829.db2.gz JPTIEUKYEZAKJK-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cc1nc2ccc(F)cc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826440 720442378 /nfs/dbraw/zinc/44/23/78/720442378.db2.gz WNZRQZGGNRXPSO-QGZVFWFLSA-N 1 2 440.523 2.263 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c1CCC3)C2 ZINC001164827168 720443075 /nfs/dbraw/zinc/44/30/75/720443075.db2.gz ZMQCQYQSRXIAQT-MRXNPFEDSA-N 1 2 431.968 2.410 20 0 IEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164825539 720443685 /nfs/dbraw/zinc/44/36/85/720443685.db2.gz RUTYPPKKJONMJK-LJQANCHMSA-N 1 2 437.544 2.430 20 0 IEADLO CSc1nc(Cl)ncc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824543 720451279 /nfs/dbraw/zinc/45/12/79/720451279.db2.gz NTYIUUJTJVYNDQ-CQSZACIVSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3cc(Cl)ccc3n1)C2 ZINC001164831746 720455735 /nfs/dbraw/zinc/45/57/35/720455735.db2.gz PFVHOQUVXIMFER-QGZVFWFLSA-N 1 2 442.951 2.469 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccncc2)n1 ZINC001164831762 720470042 /nfs/dbraw/zinc/47/00/42/720470042.db2.gz PUEAWWJFRVZZSX-HXUWFJFHSA-N 1 2 449.559 2.033 20 0 IEADLO CC(C)Sc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164830730 720475760 /nfs/dbraw/zinc/47/57/60/720475760.db2.gz LNMDCRWQZDDELR-QGZVFWFLSA-N 1 2 432.594 2.163 20 0 IEADLO CCc1nc2sccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830387 720478491 /nfs/dbraw/zinc/47/84/91/720478491.db2.gz BAIQHOHGUFMEEZ-INIZCTEOSA-N 1 2 442.589 2.440 20 0 IEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)nn1 ZINC001164778915 721309407 /nfs/dbraw/zinc/30/94/07/721309407.db2.gz ZTKSURHUAGMKAG-PKTZIBPZSA-N 1 2 443.555 2.227 20 0 IEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)nn1 ZINC001164778915 721309408 /nfs/dbraw/zinc/30/94/08/721309408.db2.gz ZTKSURHUAGMKAG-PKTZIBPZSA-N 1 2 443.555 2.227 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164886594 721455156 /nfs/dbraw/zinc/45/51/56/721455156.db2.gz HXZWLXHVHDWZRK-VABKMULXSA-N 1 2 433.556 2.297 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164886594 721455158 /nfs/dbraw/zinc/45/51/58/721455158.db2.gz HXZWLXHVHDWZRK-VABKMULXSA-N 1 2 433.556 2.297 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897747 721508543 /nfs/dbraw/zinc/50/85/43/721508543.db2.gz GLAWDLJWTDMVCD-HIFRSBDPSA-N 1 2 426.901 2.015 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897747 721508546 /nfs/dbraw/zinc/50/85/46/721508546.db2.gz GLAWDLJWTDMVCD-HIFRSBDPSA-N 1 2 426.901 2.015 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001165010251 721695295 /nfs/dbraw/zinc/69/52/95/721695295.db2.gz UVVDKDWQXANDLL-UHFFFAOYSA-N 1 2 427.887 2.221 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001165010251 721695303 /nfs/dbraw/zinc/69/53/03/721695303.db2.gz UVVDKDWQXANDLL-UHFFFAOYSA-N 1 2 427.887 2.221 20 0 IEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1C(=O)OCC ZINC001165010454 721722352 /nfs/dbraw/zinc/72/23/52/721722352.db2.gz HNEGVQJMYMQNCS-UHFFFAOYSA-N 1 2 444.536 2.277 20 0 IEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1C(=O)OCC ZINC001165010454 721722360 /nfs/dbraw/zinc/72/23/60/721722360.db2.gz HNEGVQJMYMQNCS-UHFFFAOYSA-N 1 2 444.536 2.277 20 0 IEADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912490 721767499 /nfs/dbraw/zinc/76/74/99/721767499.db2.gz MPRLHJCOZRRDCD-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912490 721767501 /nfs/dbraw/zinc/76/75/01/721767501.db2.gz MPRLHJCOZRRDCD-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO Clc1nc2cccnc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916715 721781567 /nfs/dbraw/zinc/78/15/67/721781567.db2.gz SSGDBBWNKSHPOY-OAQYLSRUSA-N 1 2 426.908 2.181 20 0 IEADLO Clc1nc2cccnc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916715 721781572 /nfs/dbraw/zinc/78/15/72/721781572.db2.gz SSGDBBWNKSHPOY-OAQYLSRUSA-N 1 2 426.908 2.181 20 0 IEADLO CCOC(=O)c1c(C)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914351 721790368 /nfs/dbraw/zinc/79/03/68/721790368.db2.gz CJNOMKVHFHNUNT-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1c(C)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914351 721790372 /nfs/dbraw/zinc/79/03/72/721790372.db2.gz CJNOMKVHFHNUNT-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO C=Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164913684 721792377 /nfs/dbraw/zinc/79/23/77/721792377.db2.gz FVVGFXALQTUTBZ-NRFANRHFSA-N 1 2 431.924 2.284 20 0 IEADLO C=Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164913684 721792378 /nfs/dbraw/zinc/79/23/78/721792378.db2.gz FVVGFXALQTUTBZ-NRFANRHFSA-N 1 2 431.924 2.284 20 0 IEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccncc2)n1 ZINC001164914645 721793295 /nfs/dbraw/zinc/79/32/95/721793295.db2.gz OUZJBHKTPJKHPG-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccncc2)n1 ZINC001164914645 721793300 /nfs/dbraw/zinc/79/33/00/721793300.db2.gz OUZJBHKTPJKHPG-XMMPIXPASA-N 1 2 432.528 2.350 20 0 IEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cncc(N5CCCCCC5)n4)CCO3)C2)c1 ZINC001164915301 721797910 /nfs/dbraw/zinc/79/79/10/721797910.db2.gz VZBRFPMOANNJCN-XMMPIXPASA-N 1 2 438.576 2.360 20 0 IEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cncc(N5CCCCCC5)n4)CCO3)C2)c1 ZINC001164915301 721797913 /nfs/dbraw/zinc/79/79/13/721797913.db2.gz VZBRFPMOANNJCN-XMMPIXPASA-N 1 2 438.576 2.360 20 0 IEADLO COC(=O)c1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164914488 721799848 /nfs/dbraw/zinc/79/98/48/721799848.db2.gz NXMVTROITLERPB-QFIPXVFZSA-N 1 2 446.935 2.333 20 0 IEADLO COC(=O)c1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164914488 721799851 /nfs/dbraw/zinc/79/98/51/721799851.db2.gz NXMVTROITLERPB-QFIPXVFZSA-N 1 2 446.935 2.333 20 0 IEADLO CN(Cc1cccc[nH+]1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)C[C@H]21 ZINC001165028491 721807863 /nfs/dbraw/zinc/80/78/63/721807863.db2.gz ZEDMDSQRSDHKJC-KBAYOESNSA-N 1 2 440.573 2.493 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)[nH]1 ZINC001164918744 721817250 /nfs/dbraw/zinc/81/72/50/721817250.db2.gz SVFCLTWTUBXFRG-UHFFFAOYSA-N 1 2 429.912 2.344 20 0 IEADLO COc1c[nH+]c(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1NC(C)C ZINC001164919814 721822488 /nfs/dbraw/zinc/82/24/88/721822488.db2.gz WSPGDGZHQDHKRQ-OAQYLSRUSA-N 1 2 448.593 2.178 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946342 721968782 /nfs/dbraw/zinc/96/87/82/721968782.db2.gz NOAQRLUVXUDALM-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946342 721968783 /nfs/dbraw/zinc/96/87/83/721968783.db2.gz NOAQRLUVXUDALM-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944519 721971211 /nfs/dbraw/zinc/97/12/11/721971211.db2.gz JRTJUJISWHNBEY-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944519 721971213 /nfs/dbraw/zinc/97/12/13/721971213.db2.gz JRTJUJISWHNBEY-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO COC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164945967 721973645 /nfs/dbraw/zinc/97/36/45/721973645.db2.gz VGKSVUYQIDWDCD-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164945967 721973648 /nfs/dbraw/zinc/97/36/48/721973648.db2.gz VGKSVUYQIDWDCD-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)CCCc1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC001473641496 1126198452 /nfs/dbraw/zinc/19/84/52/1126198452.db2.gz PWXCQCVUWRUUQN-LJQANCHMSA-N 1 2 438.322 2.337 20 0 IEADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000012530108 526804112 /nfs/dbraw/zinc/80/41/12/526804112.db2.gz ARKUVIGTYQUHGR-MRXNPFEDSA-N 1 2 448.932 2.375 20 0 IEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@H]5C[C@H]5[C@@H](F)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164429669 718963826 /nfs/dbraw/zinc/96/38/26/718963826.db2.gz DRVIOYVNIXSXTD-NXHRZFHOSA-N 1 2 446.596 2.070 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nnc(-c4cccc(F)c4)cc3C)CC2)C1=O ZINC001164644666 719284028 /nfs/dbraw/zinc/28/40/28/719284028.db2.gz PFWPHMMIYBVHES-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(-c4cccc(F)c4)cc3C)CC2)C1=O ZINC001164644666 719284031 /nfs/dbraw/zinc/28/40/31/719284031.db2.gz PFWPHMMIYBVHES-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1nnn3C)CC2 ZINC001164659506 719353967 /nfs/dbraw/zinc/35/39/67/719353967.db2.gz PNSPAMIQCKAARK-UHFFFAOYSA-N 1 2 429.532 2.453 20 0 IEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1nnn3C)CC2 ZINC001164659506 719353970 /nfs/dbraw/zinc/35/39/70/719353970.db2.gz PNSPAMIQCKAARK-UHFFFAOYSA-N 1 2 429.532 2.453 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701079 719838689 /nfs/dbraw/zinc/83/86/89/719838689.db2.gz LUBPTFPBNLWSPG-XOBRGWDASA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NC1CCCCC1 ZINC001164705813 719841774 /nfs/dbraw/zinc/84/17/74/719841774.db2.gz VVNJIHRZFGSMFK-CYFREDJKSA-N 1 2 444.576 2.377 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NC1CCCCC1 ZINC001164705816 719841866 /nfs/dbraw/zinc/84/18/66/719841866.db2.gz VVNJIHRZFGSMFK-YADARESESA-N 1 2 444.576 2.377 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1C ZINC001164706929 719853696 /nfs/dbraw/zinc/85/36/96/719853696.db2.gz ZQPKSBFVDHDFAZ-YCRPNKLZSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164702945 719860075 /nfs/dbraw/zinc/86/00/75/719860075.db2.gz OIKRELQCVAWHJD-KDOFPFPSSA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(OCc2ccccc2)cn1 ZINC001164697833 719863467 /nfs/dbraw/zinc/86/34/67/719863467.db2.gz BHBUEBLXLFFWIP-AUSIDOKSSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164707187 719863967 /nfs/dbraw/zinc/86/39/67/719863967.db2.gz RANWOUHRVLRTBA-MEDUHNTESA-N 1 2 436.912 2.196 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164707186 719864122 /nfs/dbraw/zinc/86/41/22/719864122.db2.gz RANWOUHRVLRTBA-BZNIZROVSA-N 1 2 436.912 2.196 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2)nn1 ZINC001164704981 719867421 /nfs/dbraw/zinc/86/74/21/719867421.db2.gz MMRRFUHZORNVOF-FDDCHVKYSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC001164699958 719867962 /nfs/dbraw/zinc/86/79/62/719867962.db2.gz DAZAMESYRMEBRC-YKSBVNFPSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(OC)cc2)ncn1 ZINC001164708501 719870702 /nfs/dbraw/zinc/87/07/02/719870702.db2.gz ZMBXRLRWSWYIHC-WZONZLPQSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)c(OC)cc2cn1 ZINC001164701777 719871239 /nfs/dbraw/zinc/87/12/39/719871239.db2.gz HNURBBVFOZZFBD-MBSDFSHPSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc(C)c1C ZINC001164704353 719873208 /nfs/dbraw/zinc/87/32/08/719873208.db2.gz LDXOIQDZCANXOD-XXBNENTESA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc(C)c1C ZINC001164704351 719873557 /nfs/dbraw/zinc/87/35/57/719873557.db2.gz LDXOIQDZCANXOD-WMZHIEFXSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C(C)C)no2)ccn1 ZINC001164701814 719873915 /nfs/dbraw/zinc/87/39/15/719873915.db2.gz HTBDPUWXCFCALW-JTSKRJEESA-N 1 2 429.521 2.488 20 0 IEADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2ccsc2)n1 ZINC001164709104 719928133 /nfs/dbraw/zinc/92/81/33/719928133.db2.gz XYKCAVGVTRRZOY-UHFFFAOYSA-N 1 2 437.573 2.197 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164708770 719932404 /nfs/dbraw/zinc/93/24/04/719932404.db2.gz PRVIEHWKVCTETN-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164714166 720049771 /nfs/dbraw/zinc/04/97/71/720049771.db2.gz PRCSFBRFXJCSAA-OAHLLOKOSA-N 1 2 436.564 2.155 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721567 720267798 /nfs/dbraw/zinc/26/77/98/720267798.db2.gz LEZQSAHJVXZMRG-XMMPIXPASA-N 1 2 440.544 2.076 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721567 720267810 /nfs/dbraw/zinc/26/78/10/720267810.db2.gz LEZQSAHJVXZMRG-XMMPIXPASA-N 1 2 440.544 2.076 20 0 IEADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164724527 720315079 /nfs/dbraw/zinc/31/50/79/720315079.db2.gz QTCNQRKVUKHSOV-OAHLLOKOSA-N 1 2 440.882 2.396 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4COC5)CC3)C2=O)cs1 ZINC001164825599 720364001 /nfs/dbraw/zinc/36/40/01/720364001.db2.gz ROSGIHQMHGKQSY-UHFFFAOYSA-N 1 2 448.980 2.238 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4COC5)CC3)C2=O)cs1 ZINC001164825599 720364009 /nfs/dbraw/zinc/36/40/09/720364009.db2.gz ROSGIHQMHGKQSY-UHFFFAOYSA-N 1 2 448.980 2.238 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5nc(C)n(C)c5n4)CC3)C2=O)cs1 ZINC001164820345 720370189 /nfs/dbraw/zinc/37/01/89/720370189.db2.gz NYVDCQAZYFZUCS-UHFFFAOYSA-N 1 2 439.589 2.355 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5nc(C)n(C)c5n4)CC3)C2=O)cs1 ZINC001164820345 720370198 /nfs/dbraw/zinc/37/01/98/720370198.db2.gz NYVDCQAZYFZUCS-UHFFFAOYSA-N 1 2 439.589 2.355 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ncsc5n4)CC3)C2=O)cs1 ZINC001164820710 720374957 /nfs/dbraw/zinc/37/49/57/720374957.db2.gz QVICUQXVFQOWML-UHFFFAOYSA-N 1 2 429.575 2.164 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ncsc5n4)CC3)C2=O)cs1 ZINC001164820710 720374964 /nfs/dbraw/zinc/37/49/64/720374964.db2.gz QVICUQXVFQOWML-UHFFFAOYSA-N 1 2 429.575 2.164 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5c(n4)CCCC5)CC3)C2=O)cs1 ZINC001164822351 720382416 /nfs/dbraw/zinc/38/24/16/720382416.db2.gz LIVLJAOREYQLPD-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5c(n4)CCCC5)CC3)C2=O)cs1 ZINC001164822351 720382420 /nfs/dbraw/zinc/38/24/20/720382420.db2.gz LIVLJAOREYQLPD-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164822440 720441937 /nfs/dbraw/zinc/44/19/37/720441937.db2.gz FDBIAUUCPBBZJH-YWZLYKJASA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3c(Cl)cccc3n1)C2 ZINC001164827090 720443670 /nfs/dbraw/zinc/44/36/70/720443670.db2.gz YZLJGRCRDAOFPO-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3c(Cl)cccc3n1)C2 ZINC001164827093 720443973 /nfs/dbraw/zinc/44/39/73/720443973.db2.gz YZLJGRCRDAOFPO-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164825536 720444670 /nfs/dbraw/zinc/44/46/70/720444670.db2.gz RUTYPPKKJONMJK-IBGZPJMESA-N 1 2 437.544 2.430 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3cc(Cl)ccc3n1)C2 ZINC001164823438 720445227 /nfs/dbraw/zinc/44/52/27/720445227.db2.gz JTWSABCDNLBHPW-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1cccc(Cl)n1)C2 ZINC001164826375 720452680 /nfs/dbraw/zinc/45/26/80/720452680.db2.gz WACCGXQPGFPNJL-FOIQADDNSA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(OC(C)(C)C)n1)C2 ZINC001164829940 720457031 /nfs/dbraw/zinc/45/70/31/720457031.db2.gz IDLMQJVOROXFEJ-SFHVURJKSA-N 1 2 429.565 2.445 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(Cl)cccc3n1)C2 ZINC001164831775 720457451 /nfs/dbraw/zinc/45/74/51/720457451.db2.gz QFOLEJGERQKTFX-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO CCCSc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831730 720473293 /nfs/dbraw/zinc/47/32/93/720473293.db2.gz PBNONEWWROXNAE-QGZVFWFLSA-N 1 2 432.594 2.165 20 0 IEADLO Cc1csc2nc(C)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164831771 720475382 /nfs/dbraw/zinc/47/53/82/720475382.db2.gz QBSWNCXTAIUGFH-KRWDZBQOSA-N 1 2 442.589 2.494 20 0 IEADLO CCc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)nc1C ZINC001164831475 720482134 /nfs/dbraw/zinc/48/21/34/720482134.db2.gz GKOAKDCTLGFCGB-INIZCTEOSA-N 1 2 434.972 2.187 20 0 IEADLO O=C(C[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892599 721480638 /nfs/dbraw/zinc/48/06/38/721480638.db2.gz ASWOGYRVHSRWBX-LVXARBLLSA-N 1 2 447.583 2.404 20 0 IEADLO O=C(C[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892599 721480640 /nfs/dbraw/zinc/48/06/40/721480640.db2.gz ASWOGYRVHSRWBX-LVXARBLLSA-N 1 2 447.583 2.404 20 0 IEADLO O=C(C[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892597 721480725 /nfs/dbraw/zinc/48/07/25/721480725.db2.gz ASWOGYRVHSRWBX-HFZDXXHNSA-N 1 2 447.583 2.404 20 0 IEADLO O=C(C[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892597 721480728 /nfs/dbraw/zinc/48/07/28/721480728.db2.gz ASWOGYRVHSRWBX-HFZDXXHNSA-N 1 2 447.583 2.404 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912973 721768307 /nfs/dbraw/zinc/76/83/07/721768307.db2.gz SJOBVVDZSLIIRI-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912973 721768315 /nfs/dbraw/zinc/76/83/15/721768315.db2.gz SJOBVVDZSLIIRI-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164910326 721768634 /nfs/dbraw/zinc/76/86/34/721768634.db2.gz BDYNKERNKYWSJD-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164910326 721768636 /nfs/dbraw/zinc/76/86/36/721768636.db2.gz BDYNKERNKYWSJD-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912485 721770349 /nfs/dbraw/zinc/77/03/49/721770349.db2.gz MKWNJJYUJGVXQF-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912485 721770351 /nfs/dbraw/zinc/77/03/51/721770351.db2.gz MKWNJJYUJGVXQF-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CC1(C)OCc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910263 721776150 /nfs/dbraw/zinc/77/61/50/721776150.db2.gz AZCVVCNIKHBFPN-QFIPXVFZSA-N 1 2 445.951 2.398 20 0 IEADLO CC1(C)OCc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910263 721776151 /nfs/dbraw/zinc/77/61/51/721776151.db2.gz AZCVVCNIKHBFPN-QFIPXVFZSA-N 1 2 445.951 2.398 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)SCC2 ZINC001164912633 721777566 /nfs/dbraw/zinc/77/75/66/721777566.db2.gz NNVORNFALDACRX-FQEVSTJZSA-N 1 2 433.965 2.281 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)SCC2 ZINC001164912633 721777571 /nfs/dbraw/zinc/77/75/71/721777571.db2.gz NNVORNFALDACRX-FQEVSTJZSA-N 1 2 433.965 2.281 20 0 IEADLO Clc1nc2cccnc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916714 721781898 /nfs/dbraw/zinc/78/18/98/721781898.db2.gz SSGDBBWNKSHPOY-NRFANRHFSA-N 1 2 426.908 2.181 20 0 IEADLO Clc1nc2cccnc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916714 721781900 /nfs/dbraw/zinc/78/19/00/721781900.db2.gz SSGDBBWNKSHPOY-NRFANRHFSA-N 1 2 426.908 2.181 20 0 IEADLO CC(C)(C)NC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915180 721790541 /nfs/dbraw/zinc/79/05/41/721790541.db2.gz JMWXEMAOQPRBMC-DEOSSOPVSA-N 1 2 439.560 2.113 20 0 IEADLO CC(C)(C)NC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915180 721790545 /nfs/dbraw/zinc/79/05/45/721790545.db2.gz JMWXEMAOQPRBMC-DEOSSOPVSA-N 1 2 439.560 2.113 20 0 IEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914591 721791164 /nfs/dbraw/zinc/79/11/64/721791164.db2.gz FDTGZBQPKMKUGU-XLQQFJOYSA-N 1 2 438.528 2.079 20 0 IEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914591 721791165 /nfs/dbraw/zinc/79/11/65/721791165.db2.gz FDTGZBQPKMKUGU-XLQQFJOYSA-N 1 2 438.528 2.079 20 0 IEADLO Nc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914074 721792577 /nfs/dbraw/zinc/79/25/77/721792577.db2.gz AYFHENLBVRSQBT-IBGZPJMESA-N 1 2 439.894 2.365 20 0 IEADLO Nc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914074 721792581 /nfs/dbraw/zinc/79/25/81/721792581.db2.gz AYFHENLBVRSQBT-IBGZPJMESA-N 1 2 439.894 2.365 20 0 IEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCCCC5)n4)CCO3)C2)c1 ZINC001164915300 721797635 /nfs/dbraw/zinc/79/76/35/721797635.db2.gz VZBRFPMOANNJCN-DEOSSOPVSA-N 1 2 438.576 2.360 20 0 IEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCCCC5)n4)CCO3)C2)c1 ZINC001164915300 721797638 /nfs/dbraw/zinc/79/76/38/721797638.db2.gz VZBRFPMOANNJCN-DEOSSOPVSA-N 1 2 438.576 2.360 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)CC1 ZINC001164918733 721819933 /nfs/dbraw/zinc/81/99/33/721819933.db2.gz SJJFJVWMUMOKQJ-UHFFFAOYSA-N 1 2 446.621 2.352 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(NC(C)C)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918984 721822463 /nfs/dbraw/zinc/82/24/63/721822463.db2.gz JQHMJSRLMQQUMH-NRFANRHFSA-N 1 2 432.594 2.478 20 0 IEADLO CCOC(=O)c1cc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2[nH]1 ZINC001164933763 721904449 /nfs/dbraw/zinc/90/44/49/721904449.db2.gz PVOHCOBOHSMJRT-UHFFFAOYSA-N 1 2 438.532 2.345 20 0 IEADLO COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(S(C)(=O)=O)n1 ZINC001164941043 721926910 /nfs/dbraw/zinc/92/69/10/721926910.db2.gz ZMJATZWQVMLCMO-UHFFFAOYSA-N 1 2 446.573 2.069 20 0 IEADLO COc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(S(C)(=O)=O)n1 ZINC001164941043 721926913 /nfs/dbraw/zinc/92/69/13/721926913.db2.gz ZMJATZWQVMLCMO-UHFFFAOYSA-N 1 2 446.573 2.069 20 0 IEADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945490 721969223 /nfs/dbraw/zinc/96/92/23/721969223.db2.gz LEYDMHYDHGTZQK-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945490 721969226 /nfs/dbraw/zinc/96/92/26/721969226.db2.gz LEYDMHYDHGTZQK-UHFFFAOYSA-N 1 2 443.935 2.278 20 0 IEADLO O=C1NCc2c1c(N1CCC3(CC1)C(=O)NCC[N@H+]3Cc1ccccc1)nc(Cl)c2F ZINC001164947024 721974932 /nfs/dbraw/zinc/97/49/32/721974932.db2.gz NGHXMIDYRFEKTC-UHFFFAOYSA-N 1 2 443.910 2.089 20 0 IEADLO O=C1NCc2c1c(N1CCC3(CC1)C(=O)NCC[N@@H+]3Cc1ccccc1)nc(Cl)c2F ZINC001164947024 721974935 /nfs/dbraw/zinc/97/49/35/721974935.db2.gz NGHXMIDYRFEKTC-UHFFFAOYSA-N 1 2 443.910 2.089 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981724 722136870 /nfs/dbraw/zinc/13/68/70/722136870.db2.gz QFLCKBKUNATZBT-DLBZAZTESA-N 1 2 436.965 2.261 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981724 722136871 /nfs/dbraw/zinc/13/68/71/722136871.db2.gz QFLCKBKUNATZBT-DLBZAZTESA-N 1 2 436.965 2.261 20 0 IEADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2=O ZINC000021911016 521279009 /nfs/dbraw/zinc/27/90/09/521279009.db2.gz CMSDOJXFNVMUES-UHFFFAOYSA-N 1 2 436.597 2.130 20 0 IEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(=O)CO3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164390297 718827288 /nfs/dbraw/zinc/82/72/88/718827288.db2.gz NOAVISQUJNXUGR-QGZVFWFLSA-N 1 2 444.576 2.209 20 0 IEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(=O)CO3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164390297 718827289 /nfs/dbraw/zinc/82/72/89/718827289.db2.gz NOAVISQUJNXUGR-QGZVFWFLSA-N 1 2 444.576 2.209 20 0 IEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5C[C@@H]5[C@@H](F)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164429670 718963855 /nfs/dbraw/zinc/96/38/55/718963855.db2.gz DRVIOYVNIXSXTD-SZMVWBNQSA-N 1 2 446.596 2.070 20 0 IEADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc2ccccc21 ZINC001164635652 719274440 /nfs/dbraw/zinc/27/44/40/719274440.db2.gz SSTADIQFIXSWSC-UHFFFAOYSA-N 1 2 440.544 2.171 20 0 IEADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc2ccccc21 ZINC001164635652 719274443 /nfs/dbraw/zinc/27/44/43/719274443.db2.gz SSTADIQFIXSWSC-UHFFFAOYSA-N 1 2 440.544 2.171 20 0 IEADLO COC(=O)c1ncnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1OC ZINC001164677897 719533284 /nfs/dbraw/zinc/53/32/84/719533284.db2.gz IDIIPLSZAZPJNZ-UHFFFAOYSA-N 1 2 430.480 2.282 20 0 IEADLO COC(=O)c1ncnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1OC ZINC001164677897 719533294 /nfs/dbraw/zinc/53/32/94/719533294.db2.gz IDIIPLSZAZPJNZ-UHFFFAOYSA-N 1 2 430.480 2.282 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSCC2 ZINC001164704523 719843458 /nfs/dbraw/zinc/84/34/58/719843458.db2.gz RRUXXLVUMFSUHS-DJJJIMSYSA-N 1 2 426.970 2.152 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(NC(=O)OC(C)(C)C)ncn1 ZINC001164701997 719844819 /nfs/dbraw/zinc/84/48/19/719844819.db2.gz NDTLUJVNQHFCRB-BTYIYWSLSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(NC(=O)OC(C)(C)C)ncn1 ZINC001164702000 719844827 /nfs/dbraw/zinc/84/48/27/719844827.db2.gz NDTLUJVNQHFCRB-QVKFZJNVSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2ccccc2)n1 ZINC001164702033 719845253 /nfs/dbraw/zinc/84/52/53/719845253.db2.gz NJLSGOQPABHMFQ-WMZHIEFXSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)c1ccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc2c1 ZINC001164706392 719851453 /nfs/dbraw/zinc/85/14/53/719851453.db2.gz WXDCEDPYHWZIMD-WZONZLPQSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ccc1Cl ZINC001164701757 719863840 /nfs/dbraw/zinc/86/38/40/719863840.db2.gz HIURINLXDYPWPW-VBKZILBWSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccn2)nc(C)c1C ZINC001164704382 719873193 /nfs/dbraw/zinc/87/31/93/719873193.db2.gz LJEIEGWSWPJUQS-MBSDFSHPSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2sc(C)nc2C)nn1 ZINC001164704455 719875037 /nfs/dbraw/zinc/87/50/37/719875037.db2.gz MJIGPRKCGLOCHM-HRAATJIYSA-N 1 2 431.562 2.450 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001164702316 719875521 /nfs/dbraw/zinc/87/55/21/719875521.db2.gz IFPUDRAIAIKKRM-VGOFRKELSA-N 1 2 427.505 2.242 20 0 IEADLO Cc1cccc2c(Cl)nnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708848 719907905 /nfs/dbraw/zinc/90/79/05/719907905.db2.gz KBAAPEDFURPAHU-UHFFFAOYSA-N 1 2 439.951 2.275 20 0 IEADLO Cc1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164708851 719910880 /nfs/dbraw/zinc/91/08/80/719910880.db2.gz KGYZPPAGSKVLLP-UHFFFAOYSA-N 1 2 438.910 2.272 20 0 IEADLO Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709511 719914645 /nfs/dbraw/zinc/91/46/45/719914645.db2.gz XKFVUJIUMJLSRS-UHFFFAOYSA-N 1 2 438.910 2.272 20 0 IEADLO Cc1nc2c3ccccc3oc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709187 719915053 /nfs/dbraw/zinc/91/50/53/719915053.db2.gz QCNIWNFPAOGXHF-UHFFFAOYSA-N 1 2 445.527 2.368 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721533 720270247 /nfs/dbraw/zinc/27/02/47/720270247.db2.gz KPVVATBVYWMCRP-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721533 720270266 /nfs/dbraw/zinc/27/02/66/720270266.db2.gz KPVVATBVYWMCRP-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164824794 720359595 /nfs/dbraw/zinc/35/95/95/720359595.db2.gz LOCYOSFGEAMHBK-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164824794 720359600 /nfs/dbraw/zinc/35/96/00/720359600.db2.gz LOCYOSFGEAMHBK-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164823987 720360169 /nfs/dbraw/zinc/36/01/69/720360169.db2.gz FXHPBFKAUUBSSV-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164823987 720360173 /nfs/dbraw/zinc/36/01/73/720360173.db2.gz FXHPBFKAUUBSSV-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO CCOC(=O)c1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824034 720366519 /nfs/dbraw/zinc/36/65/19/720366519.db2.gz HMOGJVSASNWXAQ-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO CCOC(=O)c1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824034 720366526 /nfs/dbraw/zinc/36/65/26/720366526.db2.gz HMOGJVSASNWXAQ-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO COC(=O)c1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164828691 720397782 /nfs/dbraw/zinc/39/77/82/720397782.db2.gz KLCRKGBMQVKMRU-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccoc31)C2 ZINC001164822379 720436139 /nfs/dbraw/zinc/43/61/39/720436139.db2.gz DHYBLILRFDWXLK-CQSZACIVSA-N 1 2 432.912 2.062 20 0 IEADLO CCc1cc2c(ncnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164824103 720449936 /nfs/dbraw/zinc/44/99/36/720449936.db2.gz LWQVXRNWXWDHME-INIZCTEOSA-N 1 2 442.589 2.440 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccoc31)C2 ZINC001164833244 720461996 /nfs/dbraw/zinc/46/19/96/720461996.db2.gz ZOVNHNIXEFQJIX-CQSZACIVSA-N 1 2 432.912 2.062 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccco2)n1 ZINC001164829677 720475364 /nfs/dbraw/zinc/47/53/64/720475364.db2.gz GOQVTBKBIQMZGL-SFHVURJKSA-N 1 2 438.532 2.231 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(C3CC3)nc3[nH]ccc31)C2 ZINC001164835675 720480917 /nfs/dbraw/zinc/48/09/17/720480917.db2.gz ZQCGNEFNYJUETN-KRWDZBQOSA-N 1 2 437.548 2.021 20 0 IEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]32)nn1 ZINC001164778916 721309477 /nfs/dbraw/zinc/30/94/77/721309477.db2.gz ZTKSURHUAGMKAG-XZOQPEGZSA-N 1 2 443.555 2.227 20 0 IEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]32)nn1 ZINC001164778916 721309482 /nfs/dbraw/zinc/30/94/82/721309482.db2.gz ZTKSURHUAGMKAG-XZOQPEGZSA-N 1 2 443.555 2.227 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164886600 721455184 /nfs/dbraw/zinc/45/51/84/721455184.db2.gz HXZWLXHVHDWZRK-ZLNRFVROSA-N 1 2 433.556 2.297 20 0 IEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164886600 721455187 /nfs/dbraw/zinc/45/51/87/721455187.db2.gz HXZWLXHVHDWZRK-ZLNRFVROSA-N 1 2 433.556 2.297 20 0 IEADLO O=C(C[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892603 721480615 /nfs/dbraw/zinc/48/06/15/721480615.db2.gz ASWOGYRVHSRWBX-QFQXNSOFSA-N 1 2 447.583 2.404 20 0 IEADLO O=C(C[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892603 721480618 /nfs/dbraw/zinc/48/06/18/721480618.db2.gz ASWOGYRVHSRWBX-QFQXNSOFSA-N 1 2 447.583 2.404 20 0 IEADLO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCOCC2)n1 ZINC001164802924 721565980 /nfs/dbraw/zinc/56/59/80/721565980.db2.gz ITNRRPJFHYQGJM-GIWBLDEGSA-N 1 2 438.576 2.139 20 0 IEADLO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCOCC2)n1 ZINC001164802924 721565986 /nfs/dbraw/zinc/56/59/86/721565986.db2.gz ITNRRPJFHYQGJM-GIWBLDEGSA-N 1 2 438.576 2.139 20 0 IEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008626 721714947 /nfs/dbraw/zinc/71/49/47/721714947.db2.gz JDKYLIYESXZBGK-KRWDZBQOSA-N 1 2 449.625 2.391 20 0 IEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008626 721714956 /nfs/dbraw/zinc/71/49/56/721714956.db2.gz JDKYLIYESXZBGK-KRWDZBQOSA-N 1 2 449.625 2.391 20 0 IEADLO CCOC(=O)/C=C\c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910977 721770170 /nfs/dbraw/zinc/77/01/70/721770170.db2.gz DARYVZJWMLXRQT-IBLIISRWSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C\c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910977 721770172 /nfs/dbraw/zinc/77/01/72/721770172.db2.gz DARYVZJWMLXRQT-IBLIISRWSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)c1cc(C)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912673 721773858 /nfs/dbraw/zinc/77/38/58/721773858.db2.gz OGDVADZCQODELL-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(C)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912673 721773861 /nfs/dbraw/zinc/77/38/61/721773861.db2.gz OGDVADZCQODELL-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913321 721774240 /nfs/dbraw/zinc/77/42/40/721774240.db2.gz WOVXGYNLFKOLMI-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913321 721774244 /nfs/dbraw/zinc/77/42/44/721774244.db2.gz WOVXGYNLFKOLMI-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CC1(C)OCc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910260 721775896 /nfs/dbraw/zinc/77/58/96/721775896.db2.gz AZCVVCNIKHBFPN-JOCHJYFZSA-N 1 2 445.951 2.398 20 0 IEADLO CC1(C)OCc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910260 721775897 /nfs/dbraw/zinc/77/58/97/721775897.db2.gz AZCVVCNIKHBFPN-JOCHJYFZSA-N 1 2 445.951 2.398 20 0 IEADLO CC(C)(C)NC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915519 721783289 /nfs/dbraw/zinc/78/32/89/721783289.db2.gz KUTZILMEUSWRKW-DEOSSOPVSA-N 1 2 439.560 2.113 20 0 IEADLO CC(C)(C)NC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915519 721783293 /nfs/dbraw/zinc/78/32/93/721783293.db2.gz KUTZILMEUSWRKW-DEOSSOPVSA-N 1 2 439.560 2.113 20 0 IEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(C)c2c1 ZINC001164916749 721787154 /nfs/dbraw/zinc/78/71/54/721787154.db2.gz TULRGYKYAJYWRG-DEOSSOPVSA-N 1 2 435.528 2.450 20 0 IEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(C)c2c1 ZINC001164916749 721787155 /nfs/dbraw/zinc/78/71/55/721787155.db2.gz TULRGYKYAJYWRG-DEOSSOPVSA-N 1 2 435.528 2.450 20 0 IEADLO CC(C)(C)NC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915181 721790296 /nfs/dbraw/zinc/79/02/96/721790296.db2.gz JMWXEMAOQPRBMC-XMMPIXPASA-N 1 2 439.560 2.113 20 0 IEADLO CC(C)(C)NC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915181 721790300 /nfs/dbraw/zinc/79/03/00/721790300.db2.gz JMWXEMAOQPRBMC-XMMPIXPASA-N 1 2 439.560 2.113 20 0 IEADLO CN(Cc1cccc[nH+]1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)C[C@@H]21 ZINC001165028481 721807701 /nfs/dbraw/zinc/80/77/01/721807701.db2.gz ZEDMDSQRSDHKJC-BPQIPLTHSA-N 1 2 440.573 2.493 20 0 IEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918760 721819792 /nfs/dbraw/zinc/81/97/92/721819792.db2.gz UDZLGJQJDXKWLO-QGZVFWFLSA-N 1 2 446.621 2.495 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(NCC5CC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918603 721822571 /nfs/dbraw/zinc/82/25/71/721822571.db2.gz GBNBJQDRAIQBMM-QFIPXVFZSA-N 1 2 444.605 2.480 20 0 IEADLO CC(=O)Nc1c(C)cc[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164924422 721831172 /nfs/dbraw/zinc/83/11/72/721831172.db2.gz WBDWZJWXKYJNIJ-OAQYLSRUSA-N 1 2 431.562 2.221 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCCCC5)[nH+]cn4)CCO3)C2)cs1 ZINC001164921372 721831852 /nfs/dbraw/zinc/83/18/52/721831852.db2.gz KCLDLXFFNCYBFK-QFIPXVFZSA-N 1 2 444.605 2.340 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCCCC5)nc[nH+]4)CCO3)C2)cs1 ZINC001164921372 721831853 /nfs/dbraw/zinc/83/18/53/721831853.db2.gz KCLDLXFFNCYBFK-QFIPXVFZSA-N 1 2 444.605 2.340 20 0 IEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165044277 721958975 /nfs/dbraw/zinc/95/89/75/721958975.db2.gz HJXQYVNJLLKJDN-UHFFFAOYSA-N 1 2 446.907 2.128 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946937 721969814 /nfs/dbraw/zinc/96/98/14/721969814.db2.gz ZTKOTZZIUPKLIR-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946937 721969817 /nfs/dbraw/zinc/96/98/17/721969817.db2.gz ZTKOTZZIUPKLIR-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC[C@]12COC[C@@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164953388 721994111 /nfs/dbraw/zinc/99/41/11/721994111.db2.gz RVDIOSHHPSIUSP-SQJMNOBHSA-N 1 2 436.556 2.139 20 0 IEADLO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001164959386 722039325 /nfs/dbraw/zinc/03/93/25/722039325.db2.gz GYRCWPGZXXEVAR-JKHIJQBDSA-N 1 2 447.583 2.246 20 0 IEADLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001165007868 722269808 /nfs/dbraw/zinc/26/98/08/722269808.db2.gz YSSJXFRZKDQXDD-QFIPXVFZSA-N 1 2 442.564 2.096 20 0 IEADLO COC(=O)CCCc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC001460872249 1126193488 /nfs/dbraw/zinc/19/34/88/1126193488.db2.gz UYHPTHUTDPOUPT-SFHVURJKSA-N 1 2 426.311 2.411 20 0 IEADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000012530106 526803866 /nfs/dbraw/zinc/80/38/66/526803866.db2.gz ARKUVIGTYQUHGR-INIZCTEOSA-N 1 2 448.932 2.375 20 0 IEADLO Cc1noc2ncc(S(=O)(=O)N3CCN(Cc4cn5cc(Cl)ccc5[nH+]4)CC3)cc12 ZINC000095454375 569368405 /nfs/dbraw/zinc/36/84/05/569368405.db2.gz URSHZTIEUBVJTD-UHFFFAOYSA-N 1 2 446.920 2.339 20 0 IEADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)ncn1 ZINC001164644137 719283130 /nfs/dbraw/zinc/28/31/30/719283130.db2.gz FGDRNDVWBYNCAX-UHFFFAOYSA-N 1 2 438.576 2.394 20 0 IEADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)ncn1 ZINC001164644137 719283134 /nfs/dbraw/zinc/28/31/34/719283134.db2.gz FGDRNDVWBYNCAX-UHFFFAOYSA-N 1 2 438.576 2.394 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164701044 719837789 /nfs/dbraw/zinc/83/77/89/719837789.db2.gz LPUKEMPLWHCWFU-QRWLVFNGSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(NC(=O)OC(C)(C)C)ncn1 ZINC001164702003 719844683 /nfs/dbraw/zinc/84/46/83/719844683.db2.gz NDTLUJVNQHFCRB-VFNWGFHPSA-N 1 2 435.525 2.056 20 0 IEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164697749 719857852 /nfs/dbraw/zinc/85/78/52/719857852.db2.gz AAFGMCBDYYKPNI-VFNWGFHPSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164702954 719860213 /nfs/dbraw/zinc/86/02/13/719860213.db2.gz OIKRELQCVAWHJD-RDTXWAMCSA-N 1 2 433.883 2.435 20 0 IEADLO COC(=O)c1ccc2cc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ncc2c1 ZINC001164706145 719865911 /nfs/dbraw/zinc/86/59/11/719865911.db2.gz OWEYCPWHRVPYCQ-WMZHIEFXSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC001164699947 719867776 /nfs/dbraw/zinc/86/77/76/719867776.db2.gz DAZAMESYRMEBRC-GBXCKJPGSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)c(OC)cc2cn1 ZINC001164701776 719871442 /nfs/dbraw/zinc/87/14/42/719871442.db2.gz HNURBBVFOZZFBD-JPYJTQIMSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)c1cccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc21 ZINC001164701246 719874374 /nfs/dbraw/zinc/87/43/74/719874374.db2.gz GJAJEFPNMVXHFM-WAIKUNEKSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2sc(C)nc2C)nn1 ZINC001164704457 719875098 /nfs/dbraw/zinc/87/50/98/719875098.db2.gz MJIGPRKCGLOCHM-IIBYNOLFSA-N 1 2 431.562 2.450 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(-c2ccncc2)n1 ZINC001164705707 719877869 /nfs/dbraw/zinc/87/78/69/719877869.db2.gz NZXOGAIIRRGIED-IIBYNOLFSA-N 1 2 431.924 2.425 20 0 IEADLO CN1CCN(c2nccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164706947 719900868 /nfs/dbraw/zinc/90/08/68/719900868.db2.gz LYWLCEBSQDSBCZ-UHFFFAOYSA-N 1 2 428.606 2.161 20 0 IEADLO CN1CCN(c2nccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164706947 719900892 /nfs/dbraw/zinc/90/08/92/719900892.db2.gz LYWLCEBSQDSBCZ-UHFFFAOYSA-N 1 2 428.606 2.161 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1csc3ncnc(Cl)c13)CC2 ZINC001164708659 719902537 /nfs/dbraw/zinc/90/25/37/719902537.db2.gz FNRODCWKWJVTCC-UHFFFAOYSA-N 1 2 431.953 2.029 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164708540 719918984 /nfs/dbraw/zinc/91/89/84/719918984.db2.gz KQVHSURKZYVGMD-UHFFFAOYSA-N 1 2 431.972 2.111 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164709093 719929503 /nfs/dbraw/zinc/92/95/03/719929503.db2.gz XQRUJDYXXQLPJD-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164701825 719932556 /nfs/dbraw/zinc/93/25/56/719932556.db2.gz COQSMOASMJTYJZ-UHFFFAOYSA-N 1 2 442.873 2.103 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164725523 720301625 /nfs/dbraw/zinc/30/16/25/720301625.db2.gz WOTWRPNVAZHZQQ-QHCPKHFHSA-N 1 2 441.601 2.434 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164725523 720301635 /nfs/dbraw/zinc/30/16/35/720301635.db2.gz WOTWRPNVAZHZQQ-QHCPKHFHSA-N 1 2 441.601 2.434 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164724607 720309938 /nfs/dbraw/zinc/30/99/38/720309938.db2.gz RZUXGLPLHUYYIO-HXUWFJFHSA-N 1 2 442.938 2.433 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164724607 720309944 /nfs/dbraw/zinc/30/99/44/720309944.db2.gz RZUXGLPLHUYYIO-HXUWFJFHSA-N 1 2 442.938 2.433 20 0 IEADLO CCOC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826573 720359614 /nfs/dbraw/zinc/35/96/14/720359614.db2.gz XDQDQINXUWXOFM-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO CCOC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826573 720359620 /nfs/dbraw/zinc/35/96/20/720359620.db2.gz XDQDQINXUWXOFM-UHFFFAOYSA-N 1 2 443.573 2.336 20 0 IEADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(C)n1 ZINC001164823093 720366253 /nfs/dbraw/zinc/36/62/53/720366253.db2.gz AKYOGDITPOWHGJ-UHFFFAOYSA-N 1 2 430.578 2.010 20 0 IEADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(C)n1 ZINC001164823093 720366260 /nfs/dbraw/zinc/36/62/60/720366260.db2.gz AKYOGDITPOWHGJ-UHFFFAOYSA-N 1 2 430.578 2.010 20 0 IEADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1C ZINC001164825546 720366734 /nfs/dbraw/zinc/36/67/34/720366734.db2.gz QPZVQTWOSGTFBF-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1C ZINC001164825546 720366740 /nfs/dbraw/zinc/36/67/40/720366740.db2.gz QPZVQTWOSGTFBF-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(OC(F)F)cn4)CC3)C2=O)cs1 ZINC001164820758 720374709 /nfs/dbraw/zinc/37/47/09/720374709.db2.gz TYMCZVLBUVCDCI-UHFFFAOYSA-N 1 2 438.504 2.156 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(OC(F)F)cn4)CC3)C2=O)cs1 ZINC001164820758 720374719 /nfs/dbraw/zinc/37/47/19/720374719.db2.gz TYMCZVLBUVCDCI-UHFFFAOYSA-N 1 2 438.504 2.156 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)CC3)C2=O)cs1 ZINC001164819436 720375036 /nfs/dbraw/zinc/37/50/36/720375036.db2.gz FBTQHRHARMIQIM-UHFFFAOYSA-N 1 2 446.968 2.084 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)CC3)C2=O)cs1 ZINC001164819436 720375041 /nfs/dbraw/zinc/37/50/41/720375041.db2.gz FBTQHRHARMIQIM-UHFFFAOYSA-N 1 2 446.968 2.084 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(N5CCCC5)n4)CC3)C2=O)cs1 ZINC001164820323 720375874 /nfs/dbraw/zinc/37/58/74/720375874.db2.gz NNENTBDWEYHUJY-UHFFFAOYSA-N 1 2 441.605 2.155 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(N5CCCC5)n4)CC3)C2=O)cs1 ZINC001164820323 720375885 /nfs/dbraw/zinc/37/58/85/720375885.db2.gz NNENTBDWEYHUJY-UHFFFAOYSA-N 1 2 441.605 2.155 20 0 IEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164827667 720399370 /nfs/dbraw/zinc/39/93/70/720399370.db2.gz GXAWVZIMAOUBPA-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164825586 720430426 /nfs/dbraw/zinc/43/04/26/720430426.db2.gz OBZWWPYFCAIEMZ-HNNXBMFYSA-N 1 2 441.910 2.466 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(Cl)ccnc31)C2 ZINC001164825230 720436896 /nfs/dbraw/zinc/43/68/96/720436896.db2.gz QRDMTAZBYRVAJZ-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCCC3)C2 ZINC001164824025 720439623 /nfs/dbraw/zinc/43/96/23/720439623.db2.gz KYPUMQIIPAELPB-MRXNPFEDSA-N 1 2 446.983 2.195 20 0 IEADLO Cc1nc2ccc(F)cc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826439 720441761 /nfs/dbraw/zinc/44/17/61/720441761.db2.gz WNZRQZGGNRXPSO-KRWDZBQOSA-N 1 2 440.523 2.263 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164822437 720441889 /nfs/dbraw/zinc/44/18/89/720441889.db2.gz FDBIAUUCPBBZJH-FOIQADDNSA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164822438 720442791 /nfs/dbraw/zinc/44/27/91/720442791.db2.gz FDBIAUUCPBBZJH-MGPUTAFESA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1Cl)C2 ZINC001164823498 720446212 /nfs/dbraw/zinc/44/62/12/720446212.db2.gz KRYSSBXHIGGYPP-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3c1CCCC3)C2 ZINC001164825545 720448405 /nfs/dbraw/zinc/44/84/05/720448405.db2.gz RWICPDINZJCCAI-MRXNPFEDSA-N 1 2 446.983 2.195 20 0 IEADLO Cc1cc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164829924 720466791 /nfs/dbraw/zinc/46/67/91/720466791.db2.gz HXCWEHZGTREXSJ-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO CCc1nc2sccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830388 720478206 /nfs/dbraw/zinc/47/82/06/720478206.db2.gz BAIQHOHGUFMEEZ-MRXNPFEDSA-N 1 2 442.589 2.440 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164845056 720799701 /nfs/dbraw/zinc/79/97/01/720799701.db2.gz DPDUWHIJWGDVHL-MDNUFGMLSA-N 1 2 433.556 2.155 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164845056 720799714 /nfs/dbraw/zinc/79/97/14/720799714.db2.gz DPDUWHIJWGDVHL-MDNUFGMLSA-N 1 2 433.556 2.155 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21)C1CCC1 ZINC001164845058 720799805 /nfs/dbraw/zinc/79/98/05/720799805.db2.gz DPDUWHIJWGDVHL-WWNPGLIZSA-N 1 2 433.556 2.155 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21)C1CCC1 ZINC001164845058 720799816 /nfs/dbraw/zinc/79/98/16/720799816.db2.gz DPDUWHIJWGDVHL-WWNPGLIZSA-N 1 2 433.556 2.155 20 0 IEADLO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852161 720818624 /nfs/dbraw/zinc/81/86/24/720818624.db2.gz ZITSHUCFDDJAKH-ZRBLBEILSA-N 1 2 449.555 2.325 20 0 IEADLO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCCO1 ZINC001164852161 720818625 /nfs/dbraw/zinc/81/86/25/720818625.db2.gz ZITSHUCFDDJAKH-ZRBLBEILSA-N 1 2 449.555 2.325 20 0 IEADLO CN1CCc2nc(Cl)nc(N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)c2C1 ZINC001164770625 721277244 /nfs/dbraw/zinc/27/72/44/721277244.db2.gz UZDKXSFQVFLVES-OAHLLOKOSA-N 1 2 425.924 2.425 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897741 721508843 /nfs/dbraw/zinc/50/88/43/721508843.db2.gz GLAWDLJWTDMVCD-DZGCQCFKSA-N 1 2 426.901 2.015 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897741 721508847 /nfs/dbraw/zinc/50/88/47/721508847.db2.gz GLAWDLJWTDMVCD-DZGCQCFKSA-N 1 2 426.901 2.015 20 0 IEADLO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCOCC2)n1 ZINC001164802927 721566254 /nfs/dbraw/zinc/56/62/54/721566254.db2.gz ITNRRPJFHYQGJM-QNWVGRARSA-N 1 2 438.576 2.139 20 0 IEADLO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCOCC2)n1 ZINC001164802927 721566258 /nfs/dbraw/zinc/56/62/58/721566258.db2.gz ITNRRPJFHYQGJM-QNWVGRARSA-N 1 2 438.576 2.139 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912972 721767976 /nfs/dbraw/zinc/76/79/76/721767976.db2.gz SJOBVVDZSLIIRI-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912972 721767981 /nfs/dbraw/zinc/76/79/81/721767981.db2.gz SJOBVVDZSLIIRI-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912010 721776025 /nfs/dbraw/zinc/77/60/25/721776025.db2.gz JDVOELKBKISTKE-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912010 721776030 /nfs/dbraw/zinc/77/60/30/721776030.db2.gz JDVOELKBKISTKE-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912008 721776419 /nfs/dbraw/zinc/77/64/19/721776419.db2.gz JDVOELKBKISTKE-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912008 721776432 /nfs/dbraw/zinc/77/64/32/721776432.db2.gz JDVOELKBKISTKE-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO COC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164917740 721781673 /nfs/dbraw/zinc/78/16/73/721781673.db2.gz YZCRTGIHNLPPME-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164917740 721781676 /nfs/dbraw/zinc/78/16/76/721781676.db2.gz YZCRTGIHNLPPME-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1c(C)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914346 721790678 /nfs/dbraw/zinc/79/06/78/721790678.db2.gz CJNOMKVHFHNUNT-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1c(C)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914346 721790679 /nfs/dbraw/zinc/79/06/79/721790679.db2.gz CJNOMKVHFHNUNT-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(N5CCCC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918119 721822448 /nfs/dbraw/zinc/82/24/48/721822448.db2.gz BQENSKWGHRCMFX-QFIPXVFZSA-N 1 2 444.605 2.258 20 0 IEADLO CCN(CC)c1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc[nH+]1 ZINC001164920702 721830174 /nfs/dbraw/zinc/83/01/74/721830174.db2.gz HIFGWKHIHOEMQO-OAQYLSRUSA-N 1 2 432.594 2.196 20 0 IEADLO CCN(CC)c1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]cn1 ZINC001164920702 721830176 /nfs/dbraw/zinc/83/01/76/721830176.db2.gz HIFGWKHIHOEMQO-OAQYLSRUSA-N 1 2 432.594 2.196 20 0 IEADLO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164935618 721892760 /nfs/dbraw/zinc/89/27/60/721892760.db2.gz WBPOCKBMEZJZMP-VXKWHMMOSA-N 1 2 433.556 2.239 20 0 IEADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001164936597 721907462 /nfs/dbraw/zinc/90/74/62/721907462.db2.gz RLBNBDHUEKNIMQ-SNAWJCMRSA-N 1 2 425.533 2.181 20 0 IEADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncc2c1 ZINC001164944426 721970920 /nfs/dbraw/zinc/97/09/20/721970920.db2.gz IOHDCKITAPWWOH-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncc2c1 ZINC001164944426 721970921 /nfs/dbraw/zinc/97/09/21/721970921.db2.gz IOHDCKITAPWWOH-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164945154 721977342 /nfs/dbraw/zinc/97/73/42/721977342.db2.gz FAICGCQXVARGTB-UHFFFAOYSA-N 1 2 426.571 2.346 20 0 IEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164945154 721977343 /nfs/dbraw/zinc/97/73/43/721977343.db2.gz FAICGCQXVARGTB-UHFFFAOYSA-N 1 2 426.571 2.346 20 0 IEADLO CCS(=O)(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164965144 722062337 /nfs/dbraw/zinc/06/23/37/722062337.db2.gz IZWZECJIORLKHP-UHFFFAOYSA-N 1 2 430.574 2.389 20 0 IEADLO CCS(=O)(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164965144 722062339 /nfs/dbraw/zinc/06/23/39/722062339.db2.gz IZWZECJIORLKHP-UHFFFAOYSA-N 1 2 430.574 2.389 20 0 IEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(Cn5cncn5)c[nH+]4)CC[C@@H]32)cs1 ZINC001164985061 722185205 /nfs/dbraw/zinc/18/52/05/722185205.db2.gz AMNSJYVYPOZNII-VQTJNVASSA-N 1 2 425.562 2.356 20 0 IEADLO CC(=O)NCc1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCC2 ZINC001165000060 722227978 /nfs/dbraw/zinc/22/79/78/722227978.db2.gz PPXYEWHJRSVBCQ-UHFFFAOYSA-N 1 2 431.544 2.278 20 0 IEADLO CC(=O)NCc1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCC2 ZINC001165000060 722227980 /nfs/dbraw/zinc/22/79/80/722227980.db2.gz PPXYEWHJRSVBCQ-UHFFFAOYSA-N 1 2 431.544 2.278 20 0 IEADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1Cl ZINC001164702735 719842004 /nfs/dbraw/zinc/84/20/04/719842004.db2.gz PJCUMWPPJFUMLV-VBKZILBWSA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164702492 719853512 /nfs/dbraw/zinc/85/35/12/719853512.db2.gz NKMSKGRBRLLNRG-UZUQRXQVSA-N 1 2 442.516 2.039 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C ZINC001164706924 719853711 /nfs/dbraw/zinc/85/37/11/719853711.db2.gz ZQPKSBFVDHDFAZ-BTYIYWSLSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)nc21 ZINC001164701265 719857256 /nfs/dbraw/zinc/85/72/56/719857256.db2.gz JXNIXBRJFNNBND-XIKOKIGWSA-N 1 2 425.942 2.281 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C(C)C ZINC001164702411 719862648 /nfs/dbraw/zinc/86/26/48/719862648.db2.gz MTTBPTPGKLLAAY-XOBRGWDASA-N 1 2 436.944 2.293 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164707188 719864048 /nfs/dbraw/zinc/86/40/48/719864048.db2.gz RANWOUHRVLRTBA-ZBEGNZNMSA-N 1 2 436.912 2.196 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 ZINC001164707423 719867713 /nfs/dbraw/zinc/86/77/13/719867713.db2.gz SKBSLYXIWLXNRE-FPGHNAPASA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2OC)nn1 ZINC001164702859 719869047 /nfs/dbraw/zinc/86/90/47/719869047.db2.gz JCEHSKKCBSGYPX-GAJHUEQPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2OC)ncn1 ZINC001164701249 719870772 /nfs/dbraw/zinc/87/07/72/719870772.db2.gz GLGNQOWGKRODTH-SBUREZEXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(OC)cc2)ncn1 ZINC001164708499 719870893 /nfs/dbraw/zinc/87/08/93/719870893.db2.gz ZMBXRLRWSWYIHC-JPYJTQIMSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccn2)nc(C)c1C ZINC001164704383 719873495 /nfs/dbraw/zinc/87/34/95/719873495.db2.gz LJEIEGWSWPJUQS-WZONZLPQSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2c1CCC2 ZINC001164701795 719873790 /nfs/dbraw/zinc/87/37/90/719873790.db2.gz HSHRQHPRMPFXHN-KOSHJBKYSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164708164 719874168 /nfs/dbraw/zinc/87/41/68/719874168.db2.gz XWFYXFYMNOJQLD-MHECFPHRSA-N 1 2 437.544 2.260 20 0 IEADLO COC(=O)c1cccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc21 ZINC001164701244 719874605 /nfs/dbraw/zinc/87/46/05/719874605.db2.gz GJAJEFPNMVXHFM-MWTRTKDXSA-N 1 2 427.501 2.254 20 0 IEADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc(C)c2c1 ZINC001164709012 719909608 /nfs/dbraw/zinc/90/96/08/719909608.db2.gz PMFRGMZANCGCMT-UHFFFAOYSA-N 1 2 434.544 2.236 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164701846 719936333 /nfs/dbraw/zinc/93/63/33/719936333.db2.gz DAIISABQZGUDER-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO CCc1nc(Cl)nc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708777 719937225 /nfs/dbraw/zinc/93/72/25/719937225.db2.gz PWBIKICWFJHAEY-UHFFFAOYSA-N 1 2 438.363 2.030 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164720412 720246519 /nfs/dbraw/zinc/24/65/19/720246519.db2.gz VMBAVLFXTWRNFK-DEOSSOPVSA-N 1 2 434.544 2.290 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164720412 720246524 /nfs/dbraw/zinc/24/65/24/720246524.db2.gz VMBAVLFXTWRNFK-DEOSSOPVSA-N 1 2 434.544 2.290 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164718728 720250347 /nfs/dbraw/zinc/25/03/47/720250347.db2.gz HZAVMDUAMHEFKH-IBGZPJMESA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164718728 720250354 /nfs/dbraw/zinc/25/03/54/720250354.db2.gz HZAVMDUAMHEFKH-IBGZPJMESA-N 1 2 441.910 2.426 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164721280 720289147 /nfs/dbraw/zinc/28/91/47/720289147.db2.gz IXEMJJCPWXTVQG-IBGZPJMESA-N 1 2 443.926 2.217 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164721280 720289156 /nfs/dbraw/zinc/28/91/56/720289156.db2.gz IXEMJJCPWXTVQG-IBGZPJMESA-N 1 2 443.926 2.217 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164722299 720305918 /nfs/dbraw/zinc/30/59/18/720305918.db2.gz KAHYWHNOIQJPRW-HSZRJFAPSA-N 1 2 427.524 2.256 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164722299 720305925 /nfs/dbraw/zinc/30/59/25/720305925.db2.gz KAHYWHNOIQJPRW-HSZRJFAPSA-N 1 2 427.524 2.256 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4CCCC5)CC3)C2=O)cs1 ZINC001164823997 720368522 /nfs/dbraw/zinc/36/85/22/720368522.db2.gz GLIAJHVYYWEOGH-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4CCCC5)CC3)C2=O)cs1 ZINC001164823997 720368527 /nfs/dbraw/zinc/36/85/27/720368527.db2.gz GLIAJHVYYWEOGH-UHFFFAOYSA-N 1 2 426.590 2.434 20 0 IEADLO Cc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2[nH]1 ZINC001164819966 720372781 /nfs/dbraw/zinc/37/27/81/720372781.db2.gz JUNUJNKKTDNMNL-UHFFFAOYSA-N 1 2 425.562 2.344 20 0 IEADLO Cc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2[nH]1 ZINC001164819966 720372786 /nfs/dbraw/zinc/37/27/86/720372786.db2.gz JUNUJNKKTDNMNL-UHFFFAOYSA-N 1 2 425.562 2.344 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164822987 720426951 /nfs/dbraw/zinc/42/69/51/720426951.db2.gz FYKVZKDHZJMNMI-OAHLLOKOSA-N 1 2 441.910 2.466 20 0 IEADLO Cc1cc2c(ncnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164826426 720428007 /nfs/dbraw/zinc/42/80/07/720428007.db2.gz QIWWCZHEBGWNRC-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(C3CC3)n1)C2 ZINC001164827051 720434776 /nfs/dbraw/zinc/43/47/76/720434776.db2.gz YTHOKQXQYGVXJM-MRXNPFEDSA-N 1 2 432.956 2.194 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3)nn1)C2 ZINC001164825287 720437636 /nfs/dbraw/zinc/43/76/36/720437636.db2.gz REDBAIVTGBDWDI-FQEVSTJZSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3[nH]ccc31)C2 ZINC001164822681 720439468 /nfs/dbraw/zinc/43/94/68/720439468.db2.gz GBASIFITNSMLKE-HNNXBMFYSA-N 1 2 430.940 2.402 20 0 IEADLO Cc1nc2cc(F)ccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823446 720442468 /nfs/dbraw/zinc/44/24/68/720442468.db2.gz JYSZXWWOIJXDKV-QGZVFWFLSA-N 1 2 440.523 2.263 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3cc(Cl)ccc3n1)C2 ZINC001164823437 720445581 /nfs/dbraw/zinc/44/55/81/720445581.db2.gz JTWSABCDNLBHPW-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1cccc(Cl)n1)C2 ZINC001164826382 720452661 /nfs/dbraw/zinc/45/26/61/720452661.db2.gz WACCGXQPGFPNJL-YWZLYKJASA-N 1 2 439.919 2.049 20 0 IEADLO CCc1c(Cl)nnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1CC ZINC001164825220 720454018 /nfs/dbraw/zinc/45/40/18/720454018.db2.gz QPLVVSFMYHLWID-MRXNPFEDSA-N 1 2 448.999 2.441 20 0 IEADLO CCOc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833056 720456949 /nfs/dbraw/zinc/45/69/49/720456949.db2.gz XOHFFXDWKVGVEU-MRXNPFEDSA-N 1 2 435.956 2.320 20 0 IEADLO Cc1cc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164829923 720466583 /nfs/dbraw/zinc/46/65/83/720466583.db2.gz HXCWEHZGTREXSJ-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccncc3)cn1)C2 ZINC001164833246 720469826 /nfs/dbraw/zinc/46/98/26/720469826.db2.gz ZVBZGPSEHLZBPB-OAQYLSRUSA-N 1 2 434.544 2.330 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001164832307 720475791 /nfs/dbraw/zinc/47/57/91/720475791.db2.gz TVRBWVKFKKCFHY-NRFANRHFSA-N 1 2 448.571 2.254 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(COC3CCC3)cn1)C2 ZINC001164834475 720478573 /nfs/dbraw/zinc/47/85/73/720478573.db2.gz SJLWYCFTGQCCKY-FQEVSTJZSA-N 1 2 441.576 2.337 20 0 IEADLO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164760788 721033712 /nfs/dbraw/zinc/03/37/12/721033712.db2.gz DEIMYXXJIDELLJ-GOTSBHOMSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164760788 721033718 /nfs/dbraw/zinc/03/37/18/721033718.db2.gz DEIMYXXJIDELLJ-GOTSBHOMSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164760790 721034554 /nfs/dbraw/zinc/03/45/54/721034554.db2.gz DEIMYXXJIDELLJ-XZOQPEGZSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164760790 721034556 /nfs/dbraw/zinc/03/45/56/721034556.db2.gz DEIMYXXJIDELLJ-XZOQPEGZSA-N 1 2 443.555 2.262 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897759 721508493 /nfs/dbraw/zinc/50/84/93/721508493.db2.gz GLAWDLJWTDMVCD-ZFWWWQNUSA-N 1 2 426.901 2.015 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897759 721508494 /nfs/dbraw/zinc/50/84/94/721508494.db2.gz GLAWDLJWTDMVCD-ZFWWWQNUSA-N 1 2 426.901 2.015 20 0 IEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010028 721715164 /nfs/dbraw/zinc/71/51/64/721715164.db2.gz XVSWUOCHUWAEJM-UHFFFAOYSA-N 1 2 449.625 2.391 20 0 IEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010028 721715168 /nfs/dbraw/zinc/71/51/68/721715168.db2.gz XVSWUOCHUWAEJM-UHFFFAOYSA-N 1 2 449.625 2.391 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911997 721768391 /nfs/dbraw/zinc/76/83/91/721768391.db2.gz JBKPWQFJLUYDKZ-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911997 721768393 /nfs/dbraw/zinc/76/83/93/721768393.db2.gz JBKPWQFJLUYDKZ-QFIPXVFZSA-N 1 2 446.935 2.415 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913022 721770608 /nfs/dbraw/zinc/77/06/08/721770608.db2.gz TWVPOEAXLLBDAW-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913022 721770613 /nfs/dbraw/zinc/77/06/13/721770613.db2.gz TWVPOEAXLLBDAW-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913579 721771307 /nfs/dbraw/zinc/77/13/07/721771307.db2.gz XVWWETHWDVIJSG-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913579 721771310 /nfs/dbraw/zinc/77/13/10/721771310.db2.gz XVWWETHWDVIJSG-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CCOC(=O)c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915560 721783540 /nfs/dbraw/zinc/78/35/40/721783540.db2.gz LDKGGGNPLLZMSJ-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915560 721783544 /nfs/dbraw/zinc/78/35/44/721783544.db2.gz LDKGGGNPLLZMSJ-HSZRJFAPSA-N 1 2 426.517 2.070 20 0 IEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(C)c2c1 ZINC001164916751 721786861 /nfs/dbraw/zinc/78/68/61/721786861.db2.gz TULRGYKYAJYWRG-XMMPIXPASA-N 1 2 435.528 2.450 20 0 IEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(C)c2c1 ZINC001164916751 721786866 /nfs/dbraw/zinc/78/68/66/721786866.db2.gz TULRGYKYAJYWRG-XMMPIXPASA-N 1 2 435.528 2.450 20 0 IEADLO CCOC(=O)/C=C/c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164916605 721788772 /nfs/dbraw/zinc/78/87/72/721788772.db2.gz RAUUVSARFZVXBK-HLZSCNFSSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C/c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164916605 721788776 /nfs/dbraw/zinc/78/87/76/721788776.db2.gz RAUUVSARFZVXBK-HLZSCNFSSA-N 1 2 438.528 2.161 20 0 IEADLO Fc1cccc(-c2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914678 721796534 /nfs/dbraw/zinc/79/65/34/721796534.db2.gz PXDRWPQYCDLRCI-HSZRJFAPSA-N 1 2 436.491 2.181 20 0 IEADLO Fc1cccc(-c2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914678 721796538 /nfs/dbraw/zinc/79/65/38/721796538.db2.gz PXDRWPQYCDLRCI-HSZRJFAPSA-N 1 2 436.491 2.181 20 0 IEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(C)nc2c1 ZINC001164913780 721796932 /nfs/dbraw/zinc/79/69/32/721796932.db2.gz HIILPACFQSFKHM-XMMPIXPASA-N 1 2 435.528 2.450 20 0 IEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(C)nc2c1 ZINC001164913780 721796935 /nfs/dbraw/zinc/79/69/35/721796935.db2.gz HIILPACFQSFKHM-XMMPIXPASA-N 1 2 435.528 2.450 20 0 IEADLO CSc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164914328 721800875 /nfs/dbraw/zinc/80/08/75/721800875.db2.gz LVGRZMDCRWFRAU-FQEVSTJZSA-N 1 2 433.603 2.423 20 0 IEADLO CSc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164914328 721800877 /nfs/dbraw/zinc/80/08/77/721800877.db2.gz LVGRZMDCRWFRAU-FQEVSTJZSA-N 1 2 433.603 2.423 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(NC5CC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164919272 721822551 /nfs/dbraw/zinc/82/25/51/721822551.db2.gz OPHZUSDMLHHVIM-OAQYLSRUSA-N 1 2 430.578 2.232 20 0 IEADLO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164935615 721892723 /nfs/dbraw/zinc/89/27/23/721892723.db2.gz WBPOCKBMEZJZMP-FGZHOGPDSA-N 1 2 433.556 2.239 20 0 IEADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2c1 ZINC001164943648 721970932 /nfs/dbraw/zinc/97/09/32/721970932.db2.gz ATGSYPLCCQQMJY-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2c1 ZINC001164943648 721970933 /nfs/dbraw/zinc/97/09/33/721970933.db2.gz ATGSYPLCCQQMJY-UHFFFAOYSA-N 1 2 445.523 2.387 20 0 IEADLO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164944523 721973682 /nfs/dbraw/zinc/97/36/82/721973682.db2.gz JTZWCTCJBVAZJF-UHFFFAOYSA-N 1 2 436.560 2.432 20 0 IEADLO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164944523 721973685 /nfs/dbraw/zinc/97/36/85/721973685.db2.gz JTZWCTCJBVAZJF-UHFFFAOYSA-N 1 2 436.560 2.432 20 0 IEADLO CNC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164946825 721975884 /nfs/dbraw/zinc/97/58/84/721975884.db2.gz LJSZJKCGCVIOOO-UHFFFAOYSA-N 1 2 427.936 2.066 20 0 IEADLO CNC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164946825 721975888 /nfs/dbraw/zinc/97/58/88/721975888.db2.gz LJSZJKCGCVIOOO-UHFFFAOYSA-N 1 2 427.936 2.066 20 0 IEADLO CN(C)C(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164949863 721978661 /nfs/dbraw/zinc/97/86/61/721978661.db2.gz QTWWJAFWRNRWOW-UHFFFAOYSA-N 1 2 441.963 2.408 20 0 IEADLO CN(C)C(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164949863 721978668 /nfs/dbraw/zinc/97/86/68/721978668.db2.gz QTWWJAFWRNRWOW-UHFFFAOYSA-N 1 2 441.963 2.408 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981729 722136986 /nfs/dbraw/zinc/13/69/86/722136986.db2.gz QFLCKBKUNATZBT-IRXDYDNUSA-N 1 2 436.965 2.261 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981729 722136988 /nfs/dbraw/zinc/13/69/88/722136988.db2.gz QFLCKBKUNATZBT-IRXDYDNUSA-N 1 2 436.965 2.261 20 0 IEADLO Cn1c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)n2c2ccsc2c1=O ZINC001473749465 1126198594 /nfs/dbraw/zinc/19/85/94/1126198594.db2.gz HIZDMJHXUVYQHS-LRDDRELGSA-N 1 2 437.447 2.267 20 0 IEADLO O=C(c1cccnc1N1CCC2(CC(=O)CO2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164389316 718827269 /nfs/dbraw/zinc/82/72/69/718827269.db2.gz HKSXODJZPIXGGT-UHFFFAOYSA-N 1 2 434.540 2.368 20 0 IEADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1Cl ZINC001164702734 719841802 /nfs/dbraw/zinc/84/18/02/719841802.db2.gz PJCUMWPPJFUMLV-JLTOFOAXSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSCC2 ZINC001164704525 719843289 /nfs/dbraw/zinc/84/32/89/719843289.db2.gz RRUXXLVUMFSUHS-ORAYPTAESA-N 1 2 426.970 2.152 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164701309 719852557 /nfs/dbraw/zinc/85/25/57/719852557.db2.gz KAPQOYHLSZJHFR-KSSFIOAISA-N 1 2 433.883 2.435 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1C ZINC001164706925 719853480 /nfs/dbraw/zinc/85/34/80/719853480.db2.gz ZQPKSBFVDHDFAZ-QVKFZJNVSA-N 1 2 439.940 2.453 20 0 IEADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164701353 719856026 /nfs/dbraw/zinc/85/60/26/719856026.db2.gz KGZZFVAHHFZKTF-QRWLVFNGSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)nc21 ZINC001164701263 719857399 /nfs/dbraw/zinc/85/73/99/719857399.db2.gz JXNIXBRJFNNBND-SGTLLEGYSA-N 1 2 425.942 2.281 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C(C)C ZINC001164702407 719862541 /nfs/dbraw/zinc/86/25/41/719862541.db2.gz MTTBPTPGKLLAAY-VBKZILBWSA-N 1 2 436.944 2.293 20 0 IEADLO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1)C1CC1 ZINC001164706241 719866541 /nfs/dbraw/zinc/86/65/41/719866541.db2.gz PGTDCFNWKFIBCN-JXALWOEJSA-N 1 2 445.560 2.371 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC[C@H](C)C2)cn1 ZINC001164707424 719867705 /nfs/dbraw/zinc/86/77/05/719867705.db2.gz SKBSLYXIWLXNRE-NRYAXDJKSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC[C@H](C)C2)cn1 ZINC001164707426 719868004 /nfs/dbraw/zinc/86/80/04/719868004.db2.gz SKBSLYXIWLXNRE-WXVUKLJWSA-N 1 2 444.576 2.186 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2OC)ncn1 ZINC001164701250 719870735 /nfs/dbraw/zinc/87/07/35/719870735.db2.gz GLGNQOWGKRODTH-UZUQRXQVSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001164702315 719875656 /nfs/dbraw/zinc/87/56/56/719875656.db2.gz IFPUDRAIAIKKRM-JTSKRJEESA-N 1 2 427.505 2.242 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2-c1ccccc1 ZINC001164705052 719875734 /nfs/dbraw/zinc/87/57/34/719875734.db2.gz NGIRBIPFAYMSTE-WZONZLPQSA-N 1 2 436.516 2.048 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(-c2ccncc2)n1 ZINC001164705706 719877762 /nfs/dbraw/zinc/87/77/62/719877762.db2.gz NZXOGAIIRRGIED-IERDGZPVSA-N 1 2 431.924 2.425 20 0 IEADLO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709487 719913135 /nfs/dbraw/zinc/91/31/35/719913135.db2.gz WCIMTEVRRYFZPN-UHFFFAOYSA-N 1 2 438.910 2.272 20 0 IEADLO Cc1cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc(Cl)n1 ZINC001164704230 719934411 /nfs/dbraw/zinc/93/44/11/719934411.db2.gz QIDFLSPBAYFCII-UHFFFAOYSA-N 1 2 438.910 2.272 20 0 IEADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708114 719936344 /nfs/dbraw/zinc/93/63/44/719936344.db2.gz CTGBTBUKPOAWHF-UHFFFAOYSA-N 1 2 449.534 2.275 20 0 IEADLO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164715216 720069167 /nfs/dbraw/zinc/06/91/67/720069167.db2.gz RYLQDEAFJQCVOI-VXKWHMMOSA-N 1 2 429.528 2.153 20 0 IEADLO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164715216 720069171 /nfs/dbraw/zinc/06/91/71/720069171.db2.gz RYLQDEAFJQCVOI-VXKWHMMOSA-N 1 2 429.528 2.153 20 0 IEADLO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164715208 720069271 /nfs/dbraw/zinc/06/92/71/720069271.db2.gz RYLQDEAFJQCVOI-FCHUYYIVSA-N 1 2 429.528 2.153 20 0 IEADLO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164715208 720069275 /nfs/dbraw/zinc/06/92/75/720069275.db2.gz RYLQDEAFJQCVOI-FCHUYYIVSA-N 1 2 429.528 2.153 20 0 IEADLO CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164819495 720377977 /nfs/dbraw/zinc/37/79/77/720377977.db2.gz FHOCZXZLFYYVGU-UHFFFAOYSA-N 1 2 442.589 2.427 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5nc(C)cnc54)CC3)C2=O)cs1 ZINC001164824411 720382570 /nfs/dbraw/zinc/38/25/70/720382570.db2.gz RFGWZYSCUFDHGX-UHFFFAOYSA-N 1 2 437.573 2.411 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5nc(C)cnc54)CC3)C2=O)cs1 ZINC001164824411 720382580 /nfs/dbraw/zinc/38/25/80/720382580.db2.gz RFGWZYSCUFDHGX-UHFFFAOYSA-N 1 2 437.573 2.411 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164824418 720430560 /nfs/dbraw/zinc/43/05/60/720430560.db2.gz LMDHYJSOIDNESR-OAHLLOKOSA-N 1 2 441.910 2.466 20 0 IEADLO CSc1ncc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822704 720438605 /nfs/dbraw/zinc/43/86/05/720438605.db2.gz GRAYGBVNCCETAE-CQSZACIVSA-N 1 2 438.985 2.038 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)ccc31)C2 ZINC001164824041 720443567 /nfs/dbraw/zinc/44/35/67/720443567.db2.gz LJRGSMVIEKVALY-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(Cl)ncc31)C2 ZINC001164822737 720443803 /nfs/dbraw/zinc/44/38/03/720443803.db2.gz HJLJRHIVNSCCFO-QGZVFWFLSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(Cl)cnc3n1)C2 ZINC001164826414 720448072 /nfs/dbraw/zinc/44/80/72/720448072.db2.gz WFWFHBBRNADTFE-QGZVFWFLSA-N 1 2 442.951 2.469 20 0 IEADLO CCOc1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822464 720450331 /nfs/dbraw/zinc/45/03/31/720450331.db2.gz FMAGMPXBBCPJSB-MRXNPFEDSA-N 1 2 435.956 2.320 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3nccc(Cl)c3cn1)C2 ZINC001164825312 720450581 /nfs/dbraw/zinc/45/05/81/720450581.db2.gz REOQYYBLPAVEGJ-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO CCc1cc2c(ncnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164824105 720450662 /nfs/dbraw/zinc/45/06/62/720450662.db2.gz LWQVXRNWXWDHME-MRXNPFEDSA-N 1 2 442.589 2.440 20 0 IEADLO Cc1csc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164831741 720468878 /nfs/dbraw/zinc/46/88/78/720468878.db2.gz PEQMTSIRQQZIBX-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)o1 ZINC001164833132 720475445 /nfs/dbraw/zinc/47/54/45/720475445.db2.gz YUCLFLABYVDUPD-SFHVURJKSA-N 1 2 438.532 2.231 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(C3CC3)nc3[nH]ccc31)C2 ZINC001164835676 720480727 /nfs/dbraw/zinc/48/07/27/720480727.db2.gz ZQCGNEFNYJUETN-QGZVFWFLSA-N 1 2 437.548 2.021 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164845057 720800027 /nfs/dbraw/zinc/80/00/27/720800027.db2.gz DPDUWHIJWGDVHL-MZYLBHOOSA-N 1 2 433.556 2.155 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164845057 720800028 /nfs/dbraw/zinc/80/00/28/720800028.db2.gz DPDUWHIJWGDVHL-MZYLBHOOSA-N 1 2 433.556 2.155 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1C ZINC001165010081 721713050 /nfs/dbraw/zinc/71/30/50/721713050.db2.gz ZFTPWXNSNQNHNY-UHFFFAOYSA-N 1 2 446.943 2.250 20 0 IEADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1C ZINC001165010081 721713053 /nfs/dbraw/zinc/71/30/53/721713053.db2.gz ZFTPWXNSNQNHNY-UHFFFAOYSA-N 1 2 446.943 2.250 20 0 IEADLO CCOC(=O)/C=C/c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910983 721770396 /nfs/dbraw/zinc/77/03/96/721770396.db2.gz DARYVZJWMLXRQT-UROCCOEBSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C/c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910983 721770397 /nfs/dbraw/zinc/77/03/97/721770397.db2.gz DARYVZJWMLXRQT-UROCCOEBSA-N 1 2 438.528 2.161 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CSC2 ZINC001164913312 721777363 /nfs/dbraw/zinc/77/73/63/721777363.db2.gz WDWQTTDSKPGPEA-FQEVSTJZSA-N 1 2 433.965 2.380 20 0 IEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CSC2 ZINC001164913312 721777365 /nfs/dbraw/zinc/77/73/65/721777365.db2.gz WDWQTTDSKPGPEA-FQEVSTJZSA-N 1 2 433.965 2.380 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164915994 721784054 /nfs/dbraw/zinc/78/40/54/721784054.db2.gz NCOCMEONKHMNJQ-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164915994 721784058 /nfs/dbraw/zinc/78/40/58/721784058.db2.gz NCOCMEONKHMNJQ-JOCHJYFZSA-N 1 2 446.935 2.415 20 0 IEADLO CCOC(=O)/C=C\c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164916607 721788614 /nfs/dbraw/zinc/78/86/14/721788614.db2.gz RAUUVSARFZVXBK-VOVDEZLQSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C\c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164916607 721788616 /nfs/dbraw/zinc/78/86/16/721788616.db2.gz RAUUVSARFZVXBK-VOVDEZLQSA-N 1 2 438.528 2.161 20 0 IEADLO C=Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164913685 721792641 /nfs/dbraw/zinc/79/26/41/721792641.db2.gz FVVGFXALQTUTBZ-OAQYLSRUSA-N 1 2 431.924 2.284 20 0 IEADLO C=Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164913685 721792642 /nfs/dbraw/zinc/79/26/42/721792642.db2.gz FVVGFXALQTUTBZ-OAQYLSRUSA-N 1 2 431.924 2.284 20 0 IEADLO CCCSc1ncnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164915238 721800905 /nfs/dbraw/zinc/80/09/05/721800905.db2.gz UNBUTLOODIEYHB-JOCHJYFZSA-N 1 2 445.589 2.490 20 0 IEADLO CCCSc1ncnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164915238 721800907 /nfs/dbraw/zinc/80/09/07/721800907.db2.gz UNBUTLOODIEYHB-JOCHJYFZSA-N 1 2 445.589 2.490 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccsc3c(N3CCOCC3)n2)CC1 ZINC001164915788 721813363 /nfs/dbraw/zinc/81/33/63/721813363.db2.gz BTUFAXREDFFONH-UHFFFAOYSA-N 1 2 439.589 2.474 20 0 IEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918759 721819217 /nfs/dbraw/zinc/81/92/17/721819217.db2.gz UDZLGJQJDXKWLO-KRWDZBQOSA-N 1 2 446.621 2.495 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001164917181 721819889 /nfs/dbraw/zinc/81/98/89/721819889.db2.gz CYPMXDPKZRWQQO-UHFFFAOYSA-N 1 2 444.967 2.153 20 0 IEADLO C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)[nH+]cn2)C1 ZINC001164935981 721909289 /nfs/dbraw/zinc/90/92/89/721909289.db2.gz RBPJIZIVPBWDJY-IBGZPJMESA-N 1 2 425.581 2.318 20 0 IEADLO C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)nc[nH+]2)C1 ZINC001164935981 721909290 /nfs/dbraw/zinc/90/92/90/721909290.db2.gz RBPJIZIVPBWDJY-IBGZPJMESA-N 1 2 425.581 2.318 20 0 IEADLO O=S(=O)(c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1)N1CCCCC1 ZINC000591651932 721960728 /nfs/dbraw/zinc/96/07/28/721960728.db2.gz UWECVXQSNVFKKR-UHFFFAOYSA-N 1 2 430.574 2.457 20 0 IEADLO Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C(N)=O ZINC001164946819 721969367 /nfs/dbraw/zinc/96/93/67/721969367.db2.gz WOBUFNWXPOJXDV-UHFFFAOYSA-N 1 2 427.936 2.113 20 0 IEADLO Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C(N)=O ZINC001164946819 721969369 /nfs/dbraw/zinc/96/93/69/721969369.db2.gz WOBUFNWXPOJXDV-UHFFFAOYSA-N 1 2 427.936 2.113 20 0 IEADLO COCc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164944553 721973599 /nfs/dbraw/zinc/97/35/99/721973599.db2.gz KRXVDJPRQDGDRH-UHFFFAOYSA-N 1 2 427.574 2.316 20 0 IEADLO COCc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164944553 721973601 /nfs/dbraw/zinc/97/36/01/721973601.db2.gz KRXVDJPRQDGDRH-UHFFFAOYSA-N 1 2 427.574 2.316 20 0 IEADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948277 721974947 /nfs/dbraw/zinc/97/49/47/721974947.db2.gz WDFNAGZNWQFIFP-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948277 721974949 /nfs/dbraw/zinc/97/49/49/721974949.db2.gz WDFNAGZNWQFIFP-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948458 721975092 /nfs/dbraw/zinc/97/50/92/721975092.db2.gz ZKIHHXCBPUFMCC-UHFFFAOYSA-N 1 2 438.528 2.238 20 0 IEADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948458 721975094 /nfs/dbraw/zinc/97/50/94/721975094.db2.gz ZKIHHXCBPUFMCC-UHFFFAOYSA-N 1 2 438.528 2.238 20 0 IEADLO COC[C@@]12COC[C@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164953385 721994126 /nfs/dbraw/zinc/99/41/26/721994126.db2.gz RVDIOSHHPSIUSP-BWKNWUBXSA-N 1 2 436.556 2.139 20 0 IEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-n5cncn5)nc(C)[nH+]4)CC[C@H]32)cs1 ZINC001164992492 722186160 /nfs/dbraw/zinc/18/61/60/722186160.db2.gz WKUNMIWJXYWDCT-QZTJIDSGSA-N 1 2 426.550 2.000 20 0 IEADLO Cn1c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)n2c2ccsc2c1=O ZINC001473749461 1126198628 /nfs/dbraw/zinc/19/86/28/1126198628.db2.gz HIZDMJHXUVYQHS-BLLLJJGKSA-N 1 2 437.447 2.267 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2ccccc2)n1 ZINC001164702027 719845292 /nfs/dbraw/zinc/84/52/92/719845292.db2.gz NJLSGOQPABHMFQ-AUSIDOKSSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164702684 719848915 /nfs/dbraw/zinc/84/89/15/719848915.db2.gz OWUJGCHZYVJLOY-BTYIYWSLSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164702689 719848937 /nfs/dbraw/zinc/84/89/37/719848937.db2.gz OWUJGCHZYVJLOY-YCRPNKLZSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(OCc2ccccc2)n1 ZINC001164700081 719853753 /nfs/dbraw/zinc/85/37/53/719853753.db2.gz GDVZKMLECCQTHO-WMZHIEFXSA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OCc2ccccc2)cnn1 ZINC001164699440 719858721 /nfs/dbraw/zinc/85/87/21/719858721.db2.gz FFOZTPHGCHTIME-CVDCTZTESA-N 1 2 426.517 2.288 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)c(OC)cc2n1 ZINC001164701332 719859599 /nfs/dbraw/zinc/85/95/99/719859599.db2.gz KGNSNWCXUVOLKM-SBUREZEXSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)c(OC)cc2n1 ZINC001164701326 719859631 /nfs/dbraw/zinc/85/96/31/719859631.db2.gz KGNSNWCXUVOLKM-GAJHUEQPSA-N 1 2 429.517 2.485 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC1 ZINC001164706653 719866587 /nfs/dbraw/zinc/86/65/87/719866587.db2.gz QGDIHTPATXZKKW-MHECFPHRSA-N 1 2 439.560 2.463 20 0 IEADLO COC(=O)C[C@H](c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1)C1CC1 ZINC001164706242 719866616 /nfs/dbraw/zinc/86/66/16/719866616.db2.gz PGTDCFNWKFIBCN-MZLICYQSSA-N 1 2 445.560 2.371 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2OC)ncn1 ZINC001164701247 719870695 /nfs/dbraw/zinc/87/06/95/719870695.db2.gz GLGNQOWGKRODTH-GAJHUEQPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccn2)nc(C)c1C ZINC001164704381 719873296 /nfs/dbraw/zinc/87/32/96/719873296.db2.gz LJEIEGWSWPJUQS-JPYJTQIMSA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(cc(OC)cc2OC)n1 ZINC001164699813 719877226 /nfs/dbraw/zinc/87/72/26/719877226.db2.gz BNZFPBGNQQFAHU-HJPURHCSSA-N 1 2 429.517 2.485 20 0 IEADLO Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708869 719909223 /nfs/dbraw/zinc/90/92/23/719909223.db2.gz LEWVIOZAWNTPHR-UHFFFAOYSA-N 1 2 438.910 2.272 20 0 IEADLO Cc1cccc2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708387 719916939 /nfs/dbraw/zinc/91/69/39/719916939.db2.gz BYIQCDBXLGSJQN-UHFFFAOYSA-N 1 2 439.951 2.275 20 0 IEADLO Cc1c[nH]c2nc(Cl)cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708306 719921487 /nfs/dbraw/zinc/92/14/87/719921487.db2.gz IJVQKBSGAOLFBK-UHFFFAOYSA-N 1 2 427.940 2.209 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164720561 720274520 /nfs/dbraw/zinc/27/45/20/720274520.db2.gz AYMCSKNXLRMMEH-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164720561 720274525 /nfs/dbraw/zinc/27/45/25/720274525.db2.gz AYMCSKNXLRMMEH-JOCHJYFZSA-N 1 2 429.496 2.073 20 0 IEADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1C ZINC001164824839 720364039 /nfs/dbraw/zinc/36/40/39/720364039.db2.gz OAVWWWZYKMTFEA-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1C ZINC001164824839 720364049 /nfs/dbraw/zinc/36/40/49/720364049.db2.gz OAVWWWZYKMTFEA-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1F ZINC001164826851 720365079 /nfs/dbraw/zinc/36/50/79/720365079.db2.gz ZTPXCPJUCIUGQG-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1F ZINC001164826851 720365087 /nfs/dbraw/zinc/36/50/87/720365087.db2.gz ZTPXCPJUCIUGQG-UHFFFAOYSA-N 1 2 447.536 2.085 20 0 IEADLO Cc1c[nH]c2nc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164822304 720443595 /nfs/dbraw/zinc/44/35/95/720443595.db2.gz CNSQCOMHZRMHJS-OAHLLOKOSA-N 1 2 445.955 2.106 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(Cl)cnc3n1)C2 ZINC001164826412 720448717 /nfs/dbraw/zinc/44/87/17/720448717.db2.gz WFWFHBBRNADTFE-KRWDZBQOSA-N 1 2 442.951 2.469 20 0 IEADLO CCOc1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822463 720450051 /nfs/dbraw/zinc/45/00/51/720450051.db2.gz FMAGMPXBBCPJSB-INIZCTEOSA-N 1 2 435.956 2.320 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1cccc(Cl)n1)C2 ZINC001164826380 720453427 /nfs/dbraw/zinc/45/34/27/720453427.db2.gz WACCGXQPGFPNJL-QRWLVFNGSA-N 1 2 439.919 2.049 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3ccc(Cl)nc3cn1)C2 ZINC001164828712 720455933 /nfs/dbraw/zinc/45/59/33/720455933.db2.gz ADZNXKNMDAMNAD-QGZVFWFLSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3c(Cl)ccnc3cn1)C2 ZINC001164830815 720460262 /nfs/dbraw/zinc/46/02/62/720460262.db2.gz MGERTTQRXQNONN-INIZCTEOSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccs3)nn1)C2 ZINC001164830259 720460564 /nfs/dbraw/zinc/46/05/64/720460564.db2.gz JXRMYRXTYOUPGU-KRWDZBQOSA-N 1 2 440.573 2.391 20 0 IEADLO CC(C)COc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832771 720466607 /nfs/dbraw/zinc/46/66/07/720466607.db2.gz WVPBGZVCTWWKJN-LJQANCHMSA-N 1 2 429.565 2.303 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)ncn1)C2 ZINC001164829720 720469361 /nfs/dbraw/zinc/46/93/61/720469361.db2.gz GUOYNJCDSCGALD-FQEVSTJZSA-N 1 2 434.544 2.330 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccccn2)n1 ZINC001164831153 720469774 /nfs/dbraw/zinc/46/97/74/720469774.db2.gz MYNMBKYXGXJKLZ-LJQANCHMSA-N 1 2 449.559 2.033 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3cccs3)ncn1)C2 ZINC001164829865 720473337 /nfs/dbraw/zinc/47/33/37/720473337.db2.gz HMJCCGQXIZJSJH-QGZVFWFLSA-N 1 2 440.573 2.391 20 0 IEADLO Cc1nc(-c2ccncc2)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833237 720474601 /nfs/dbraw/zinc/47/46/01/720474601.db2.gz ZMOVJUBWQIIMAG-FQEVSTJZSA-N 1 2 449.559 2.033 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164845059 720800188 /nfs/dbraw/zinc/80/01/88/720800188.db2.gz DPDUWHIJWGDVHL-YMPZKCBVSA-N 1 2 433.556 2.155 20 0 IEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164845059 720800189 /nfs/dbraw/zinc/80/01/89/720800189.db2.gz DPDUWHIJWGDVHL-YMPZKCBVSA-N 1 2 433.556 2.155 20 0 IEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cn1 ZINC001164760787 721034084 /nfs/dbraw/zinc/03/40/84/721034084.db2.gz DEIMYXXJIDELLJ-DHIUTWEWSA-N 1 2 443.555 2.262 20 0 IEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC001164760787 721034088 /nfs/dbraw/zinc/03/40/88/721034088.db2.gz DEIMYXXJIDELLJ-DHIUTWEWSA-N 1 2 443.555 2.262 20 0 IEADLO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ccc2CN2CCCC2)CC3)CC1 ZINC001164796867 721515167 /nfs/dbraw/zinc/51/51/67/721515167.db2.gz FTTFAGXRFOLXAJ-UHFFFAOYSA-N 1 2 430.000 2.295 20 0 IEADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911923 721771215 /nfs/dbraw/zinc/77/12/15/721771215.db2.gz IICRAVOBYDBHLH-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911923 721771225 /nfs/dbraw/zinc/77/12/25/721771225.db2.gz IICRAVOBYDBHLH-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913320 721774700 /nfs/dbraw/zinc/77/47/00/721774700.db2.gz WOVXGYNLFKOLMI-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913320 721774701 /nfs/dbraw/zinc/77/47/01/721774701.db2.gz WOVXGYNLFKOLMI-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COc1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916773 721787501 /nfs/dbraw/zinc/78/75/01/721787501.db2.gz TYJUVKMUDAUMTM-XMMPIXPASA-N 1 2 448.527 2.050 20 0 IEADLO COc1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916773 721787508 /nfs/dbraw/zinc/78/75/08/721787508.db2.gz TYJUVKMUDAUMTM-XMMPIXPASA-N 1 2 448.527 2.050 20 0 IEADLO CCOCc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914085 721791753 /nfs/dbraw/zinc/79/17/53/721791753.db2.gz BEPJBGQMBYRBEM-OAQYLSRUSA-N 1 2 433.940 2.169 20 0 IEADLO CCOCc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914085 721791756 /nfs/dbraw/zinc/79/17/56/721791756.db2.gz BEPJBGQMBYRBEM-OAQYLSRUSA-N 1 2 433.940 2.169 20 0 IEADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1Cl ZINC001164915317 721801575 /nfs/dbraw/zinc/80/15/75/721801575.db2.gz WDMMXRABLJANLV-LJQANCHMSA-N 1 2 440.878 2.021 20 0 IEADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1Cl ZINC001164915317 721801578 /nfs/dbraw/zinc/80/15/78/721801578.db2.gz WDMMXRABLJANLV-LJQANCHMSA-N 1 2 440.878 2.021 20 0 IEADLO CN(Cc1cccc[nH+]1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)C[C@H]21 ZINC001165028487 721807542 /nfs/dbraw/zinc/80/75/42/721807542.db2.gz ZEDMDSQRSDHKJC-CGTJXYLNSA-N 1 2 440.573 2.493 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001164916240 721815510 /nfs/dbraw/zinc/81/55/10/721815510.db2.gz BJCKJLXFCHZSAR-UHFFFAOYSA-N 1 2 433.560 2.412 20 0 IEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164919083 721820004 /nfs/dbraw/zinc/82/00/04/721820004.db2.gz ZTDPMDBPZPLWCG-UHFFFAOYSA-N 1 2 446.621 2.495 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944455 721971231 /nfs/dbraw/zinc/97/12/31/721971231.db2.gz IVXLVQAUBYDBHS-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944455 721971232 /nfs/dbraw/zinc/97/12/32/721971232.db2.gz IVXLVQAUBYDBHS-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053232 722009909 /nfs/dbraw/zinc/00/99/09/722009909.db2.gz BWRXDQDZRHBVAQ-UHFFFAOYSA-N 1 2 438.910 2.271 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981725 722137261 /nfs/dbraw/zinc/13/72/61/722137261.db2.gz QFLCKBKUNATZBT-IAGOWNOFSA-N 1 2 436.965 2.261 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981725 722137262 /nfs/dbraw/zinc/13/72/62/722137262.db2.gz QFLCKBKUNATZBT-IAGOWNOFSA-N 1 2 436.965 2.261 20 0 IEADLO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(Cn5cncn5)c[nH+]4)CC[C@@H]32)cs1 ZINC001164985057 722185199 /nfs/dbraw/zinc/18/51/99/722185199.db2.gz AMNSJYVYPOZNII-PMACEKPBSA-N 1 2 425.562 2.356 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164639153 719277094 /nfs/dbraw/zinc/27/70/94/719277094.db2.gz IPTZNNKDQKDBJT-UHFFFAOYSA-N 1 2 440.544 2.171 20 0 IEADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164639153 719277096 /nfs/dbraw/zinc/27/70/96/719277096.db2.gz IPTZNNKDQKDBJT-UHFFFAOYSA-N 1 2 440.544 2.171 20 0 IEADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671697 719514621 /nfs/dbraw/zinc/51/46/21/719514621.db2.gz HUBUYPALKQECND-UHFFFAOYSA-N 1 2 434.537 2.000 20 0 IEADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671697 719514625 /nfs/dbraw/zinc/51/46/25/719514625.db2.gz HUBUYPALKQECND-UHFFFAOYSA-N 1 2 434.537 2.000 20 0 IEADLO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164701047 719837712 /nfs/dbraw/zinc/83/77/12/719837712.db2.gz LPUKEMPLWHCWFU-YWZLYKJASA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSCC2 ZINC001164704526 719843173 /nfs/dbraw/zinc/84/31/73/719843173.db2.gz RRUXXLVUMFSUHS-YJYMSZOUSA-N 1 2 426.970 2.152 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164702688 719849065 /nfs/dbraw/zinc/84/90/65/719849065.db2.gz OWUJGCHZYVJLOY-VFNWGFHPSA-N 1 2 435.525 2.056 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(-c2ccccc2)n1 ZINC001164701403 719849415 /nfs/dbraw/zinc/84/94/15/719849415.db2.gz MDYYPHKRUAGNTR-HRAATJIYSA-N 1 2 431.924 2.425 20 0 IEADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164701347 719855967 /nfs/dbraw/zinc/85/59/67/719855967.db2.gz KGZZFVAHHFZKTF-FOIQADDNSA-N 1 2 425.913 2.144 20 0 IEADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164701349 719856125 /nfs/dbraw/zinc/85/61/25/719856125.db2.gz KGZZFVAHHFZKTF-MGPUTAFESA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706608 719861006 /nfs/dbraw/zinc/86/10/06/719861006.db2.gz YESGDGVZIQSOAO-GAJHUEQPSA-N 1 2 427.501 2.254 20 0 IEADLO CCOC(=O)c1cc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2s1 ZINC001164705096 719862205 /nfs/dbraw/zinc/86/22/05/719862205.db2.gz SSYPIHZZZQPNAS-SZNDQCEHSA-N 1 2 448.545 2.101 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2OC)ncn1 ZINC001164701248 719870938 /nfs/dbraw/zinc/87/09/38/719870938.db2.gz GLGNQOWGKRODTH-HXOBKFHXSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc(C)c1C ZINC001164704350 719873325 /nfs/dbraw/zinc/87/33/25/719873325.db2.gz LDXOIQDZCANXOD-CVDCTZTESA-N 1 2 425.533 2.388 20 0 IEADLO COC(=O)c1cccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc21 ZINC001164701243 719874696 /nfs/dbraw/zinc/87/46/96/719874696.db2.gz GJAJEFPNMVXHFM-HJPURHCSSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2sc(C)nc2C)nn1 ZINC001164704458 719875016 /nfs/dbraw/zinc/87/50/16/719875016.db2.gz MJIGPRKCGLOCHM-KKSFZXQISA-N 1 2 431.562 2.450 20 0 IEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2-c1ccccc1 ZINC001164705049 719875644 /nfs/dbraw/zinc/87/56/44/719875644.db2.gz NGIRBIPFAYMSTE-FDDCHVKYSA-N 1 2 436.516 2.048 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164709646 719905796 /nfs/dbraw/zinc/90/57/96/719905796.db2.gz ZGINUDVADAADMT-UHFFFAOYSA-N 1 2 443.983 2.083 20 0 IEADLO Cc1sc2nc(C)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1C ZINC001164708363 719908058 /nfs/dbraw/zinc/90/80/58/719908058.db2.gz AOSWEPKZWASNSX-UHFFFAOYSA-N 1 2 439.589 2.300 20 0 IEADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708292 719921511 /nfs/dbraw/zinc/92/15/11/719921511.db2.gz HQNGEFNIAWGIGM-UHFFFAOYSA-N 1 2 445.999 2.420 20 0 IEADLO CSc1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164708143 719937116 /nfs/dbraw/zinc/93/71/16/719937116.db2.gz FIBGAFYSNCZAEI-UHFFFAOYSA-N 1 2 437.573 2.036 20 0 IEADLO Cc1cc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)s1 ZINC001164705287 720048449 /nfs/dbraw/zinc/04/84/49/720048449.db2.gz XOMHEXOPDYTVOY-UHFFFAOYSA-N 1 2 445.980 2.337 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cnc(F)cc54)CC3)C2=O)cs1 ZINC001164825776 720365267 /nfs/dbraw/zinc/36/52/67/720365267.db2.gz UQJDZFCHVIYZDJ-UHFFFAOYSA-N 1 2 441.536 2.242 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cnc(F)cc54)CC3)C2=O)cs1 ZINC001164825776 720365276 /nfs/dbraw/zinc/36/52/76/720365276.db2.gz UQJDZFCHVIYZDJ-UHFFFAOYSA-N 1 2 441.536 2.242 20 0 IEADLO COc1cnnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823221 720370254 /nfs/dbraw/zinc/37/02/54/720370254.db2.gz CGGGUGISZZOMOJ-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO COc1cnnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823221 720370262 /nfs/dbraw/zinc/37/02/62/720370262.db2.gz CGGGUGISZZOMOJ-UHFFFAOYSA-N 1 2 436.969 2.217 20 0 IEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4OC4CCC4)CC3)C2=O)cs1 ZINC001164824361 720383195 /nfs/dbraw/zinc/38/31/95/720383195.db2.gz RBAAFCWWGQOUAZ-UHFFFAOYSA-N 1 2 442.589 2.486 20 0 IEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4OC4CCC4)CC3)C2=O)cs1 ZINC001164824361 720383204 /nfs/dbraw/zinc/38/32/04/720383204.db2.gz RBAAFCWWGQOUAZ-UHFFFAOYSA-N 1 2 442.589 2.486 20 0 IEADLO Cc1nc2sccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827620 720427353 /nfs/dbraw/zinc/42/73/53/720427353.db2.gz UKQUZYSTWVJJNP-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164824417 720430155 /nfs/dbraw/zinc/43/01/55/720430155.db2.gz LMDHYJSOIDNESR-HNNXBMFYSA-N 1 2 441.910 2.466 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(C3CC3)n1)C2 ZINC001164827048 720434825 /nfs/dbraw/zinc/43/48/25/720434825.db2.gz YTHOKQXQYGVXJM-INIZCTEOSA-N 1 2 432.956 2.194 20 0 IEADLO CC(C)COc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832770 720467334 /nfs/dbraw/zinc/46/73/34/720467334.db2.gz WVPBGZVCTWWKJN-IBGZPJMESA-N 1 2 429.565 2.303 20 0 IEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccco2)n1 ZINC001164829674 720475571 /nfs/dbraw/zinc/47/55/71/720475571.db2.gz GOQVTBKBIQMZGL-GOSISDBHSA-N 1 2 438.532 2.231 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccsc3)nn1)C2 ZINC001164832860 720478643 /nfs/dbraw/zinc/47/86/43/720478643.db2.gz LPLRFEHJHJJKCJ-SFHVURJKSA-N 1 2 440.573 2.391 20 0 IEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164855796 720896156 /nfs/dbraw/zinc/89/61/56/720896156.db2.gz CDVNABDZAZVDST-UHFFFAOYSA-N 1 2 439.879 2.175 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897753 721508487 /nfs/dbraw/zinc/50/84/87/721508487.db2.gz GLAWDLJWTDMVCD-UKRRQHHQSA-N 1 2 426.901 2.015 20 0 IEADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897753 721508488 /nfs/dbraw/zinc/50/84/88/721508488.db2.gz GLAWDLJWTDMVCD-UKRRQHHQSA-N 1 2 426.901 2.015 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001165010227 721702566 /nfs/dbraw/zinc/70/25/66/721702566.db2.gz FSSHHNMNXPWFEK-UHFFFAOYSA-N 1 2 434.548 2.205 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001165010227 721702571 /nfs/dbraw/zinc/70/25/71/721702571.db2.gz FSSHHNMNXPWFEK-UHFFFAOYSA-N 1 2 434.548 2.205 20 0 IEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001165015372 721765431 /nfs/dbraw/zinc/76/54/31/721765431.db2.gz PEKXYHXUOMKINZ-UHFFFAOYSA-N 1 2 435.866 2.203 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913023 721771066 /nfs/dbraw/zinc/77/10/66/721771066.db2.gz TWVPOEAXLLBDAW-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913023 721771068 /nfs/dbraw/zinc/77/10/68/721771068.db2.gz TWVPOEAXLLBDAW-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO CC(C)(C)NC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915521 721783344 /nfs/dbraw/zinc/78/33/44/721783344.db2.gz KUTZILMEUSWRKW-XMMPIXPASA-N 1 2 439.560 2.113 20 0 IEADLO CC(C)(C)NC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915521 721783347 /nfs/dbraw/zinc/78/33/47/721783347.db2.gz KUTZILMEUSWRKW-XMMPIXPASA-N 1 2 439.560 2.113 20 0 IEADLO CCOC(=O)c1c(C)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164916067 721787127 /nfs/dbraw/zinc/78/71/27/721787127.db2.gz OTFINXACYQSEOH-XMMPIXPASA-N 1 2 440.544 2.378 20 0 IEADLO CCOC(=O)c1c(C)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164916067 721787130 /nfs/dbraw/zinc/78/71/30/721787130.db2.gz OTFINXACYQSEOH-XMMPIXPASA-N 1 2 440.544 2.378 20 0 IEADLO Nc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914075 721792283 /nfs/dbraw/zinc/79/22/83/721792283.db2.gz AYFHENLBVRSQBT-LJQANCHMSA-N 1 2 439.894 2.365 20 0 IEADLO Nc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914075 721792284 /nfs/dbraw/zinc/79/22/84/721792284.db2.gz AYFHENLBVRSQBT-LJQANCHMSA-N 1 2 439.894 2.365 20 0 IEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccncc2)n1 ZINC001164914644 721792904 /nfs/dbraw/zinc/79/29/04/721792904.db2.gz OUZJBHKTPJKHPG-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccncc2)n1 ZINC001164914644 721792908 /nfs/dbraw/zinc/79/29/08/721792908.db2.gz OUZJBHKTPJKHPG-DEOSSOPVSA-N 1 2 432.528 2.350 20 0 IEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(C)nc2c1 ZINC001164913778 721797059 /nfs/dbraw/zinc/79/70/59/721797059.db2.gz HIILPACFQSFKHM-DEOSSOPVSA-N 1 2 435.528 2.450 20 0 IEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(C)nc2c1 ZINC001164913778 721797062 /nfs/dbraw/zinc/79/70/62/721797062.db2.gz HIILPACFQSFKHM-DEOSSOPVSA-N 1 2 435.528 2.450 20 0 IEADLO COC(=O)c1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164914484 721800106 /nfs/dbraw/zinc/80/01/06/721800106.db2.gz NXMVTROITLERPB-JOCHJYFZSA-N 1 2 446.935 2.333 20 0 IEADLO COC(=O)c1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164914484 721800107 /nfs/dbraw/zinc/80/01/07/721800107.db2.gz NXMVTROITLERPB-JOCHJYFZSA-N 1 2 446.935 2.333 20 0 IEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(NCC5CC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164918598 721822498 /nfs/dbraw/zinc/82/24/98/721822498.db2.gz GBNBJQDRAIQBMM-JOCHJYFZSA-N 1 2 444.605 2.480 20 0 IEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(NC5CC5)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164919256 721822502 /nfs/dbraw/zinc/82/25/02/721822502.db2.gz OPHZUSDMLHHVIM-NRFANRHFSA-N 1 2 430.578 2.232 20 0 IEADLO COc1cc(OC)nc(CN2CCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC2)n1 ZINC001165028512 721850698 /nfs/dbraw/zinc/85/06/98/721850698.db2.gz CHFRAKKXIZBGHH-UHFFFAOYSA-N 1 2 425.489 2.381 20 0 IEADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001164947421 721968979 /nfs/dbraw/zinc/96/89/79/721968979.db2.gz QOQRSVXAWHVJJN-UHFFFAOYSA-N 1 2 433.556 2.289 20 0 IEADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001164947421 721968982 /nfs/dbraw/zinc/96/89/82/721968982.db2.gz QOQRSVXAWHVJJN-UHFFFAOYSA-N 1 2 433.556 2.289 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1Cl ZINC001164944124 721969668 /nfs/dbraw/zinc/96/96/68/721969668.db2.gz GSKXAKMVUVBDLO-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1Cl ZINC001164944124 721969672 /nfs/dbraw/zinc/96/96/72/721969672.db2.gz GSKXAKMVUVBDLO-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC[C@@]12COC[C@@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164953386 721994025 /nfs/dbraw/zinc/99/40/25/721994025.db2.gz RVDIOSHHPSIUSP-OFVILXPXSA-N 1 2 436.556 2.139 20 0 IEADLO COC(=O)CCCc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC001460872248 1126193463 /nfs/dbraw/zinc/19/34/63/1126193463.db2.gz UYHPTHUTDPOUPT-GOSISDBHSA-N 1 2 426.311 2.411 20 0 IEADLO Cn1c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)n2c2ccsc2c1=O ZINC001473749468 1126198642 /nfs/dbraw/zinc/19/86/42/1126198642.db2.gz HIZDMJHXUVYQHS-WBMJQRKESA-N 1 2 437.447 2.267 20 0 IEADLO Cn1c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)n2c2ccsc2c1=O ZINC001473749467 1126198679 /nfs/dbraw/zinc/19/86/79/1126198679.db2.gz HIZDMJHXUVYQHS-MLGOLLRUSA-N 1 2 437.447 2.267 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)cc(OCc4ccccc4)n3)CC2)C1=O ZINC001164644485 719283052 /nfs/dbraw/zinc/28/30/52/719283052.db2.gz LPAVKBLLGDSZFC-UHFFFAOYSA-N 1 2 439.560 2.123 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)cc(OCc4ccccc4)n3)CC2)C1=O ZINC001164644485 719283053 /nfs/dbraw/zinc/28/30/53/719283053.db2.gz LPAVKBLLGDSZFC-UHFFFAOYSA-N 1 2 439.560 2.123 20 0 IEADLO COCCN1CC[N@H+](C)C2(CCN(c3nnc(-c4ccccc4F)cc3C)CC2)C1=O ZINC001164644329 719284304 /nfs/dbraw/zinc/28/43/04/719284304.db2.gz IUAVAOPIMCOACX-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(-c4ccccc4F)cc3C)CC2)C1=O ZINC001164644329 719284307 /nfs/dbraw/zinc/28/43/07/719284307.db2.gz IUAVAOPIMCOACX-UHFFFAOYSA-N 1 2 427.524 2.351 20 0 IEADLO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672644 719522322 /nfs/dbraw/zinc/52/23/22/719522322.db2.gz LZZMGFWBXWAAQG-UHFFFAOYSA-N 1 2 448.564 2.342 20 0 IEADLO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672644 719522330 /nfs/dbraw/zinc/52/23/30/719522330.db2.gz LZZMGFWBXWAAQG-UHFFFAOYSA-N 1 2 448.564 2.342 20 0 IEADLO NC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(C2CC2)n1 ZINC001164679075 719532766 /nfs/dbraw/zinc/53/27/66/719532766.db2.gz RGTRBBFTZSDXDW-UHFFFAOYSA-N 1 2 425.508 2.463 20 0 IEADLO NC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(C2CC2)n1 ZINC001164679075 719532781 /nfs/dbraw/zinc/53/27/81/719532781.db2.gz RGTRBBFTZSDXDW-UHFFFAOYSA-N 1 2 425.508 2.463 20 0 IEADLO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701072 719838985 /nfs/dbraw/zinc/83/89/85/719838985.db2.gz LUBPTFPBNLWSPG-JLTOFOAXSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSCC2 ZINC001164704519 719843252 /nfs/dbraw/zinc/84/32/52/719843252.db2.gz RRUXXLVUMFSUHS-BFUOFWGJSA-N 1 2 426.970 2.152 20 0 IEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2ccccc2)n1 ZINC001164702036 719845148 /nfs/dbraw/zinc/84/51/48/719845148.db2.gz NJLSGOQPABHMFQ-XXBNENTESA-N 1 2 426.517 2.288 20 0 IEADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705783 719848975 /nfs/dbraw/zinc/84/89/75/719848975.db2.gz VPKHQBCAPTVXPP-YCRPNKLZSA-N 1 2 439.940 2.453 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(-c2ccccc2)n1 ZINC001164701416 719849649 /nfs/dbraw/zinc/84/96/49/719849649.db2.gz MDYYPHKRUAGNTR-KKSFZXQISA-N 1 2 431.924 2.425 20 0 IEADLO COC(=O)c1ccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc2c1 ZINC001164706389 719851172 /nfs/dbraw/zinc/85/11/72/719851172.db2.gz WXDCEDPYHWZIMD-FDDCHVKYSA-N 1 2 427.501 2.254 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)nc21 ZINC001164701262 719857182 /nfs/dbraw/zinc/85/71/82/719857182.db2.gz JXNIXBRJFNNBND-KZULUSFZSA-N 1 2 425.942 2.281 20 0 IEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(N(C)C)cc2)n1 ZINC001164706070 719863949 /nfs/dbraw/zinc/86/39/49/719863949.db2.gz OMEIOUMTPPWYTG-HYBUGGRVSA-N 1 2 439.560 2.442 20 0 IEADLO CCOC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ccc1Cl ZINC001164701759 719863956 /nfs/dbraw/zinc/86/39/56/719863956.db2.gz HIURINLXDYPWPW-VLIAUNLRSA-N 1 2 425.913 2.144 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2)nn1 ZINC001164704983 719867700 /nfs/dbraw/zinc/86/77/00/719867700.db2.gz MMRRFUHZORNVOF-MBSDFSHPSA-N 1 2 426.517 2.385 20 0 IEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC001164699955 719868025 /nfs/dbraw/zinc/86/80/25/719868025.db2.gz DAZAMESYRMEBRC-RDPSFJRHSA-N 1 2 444.576 2.186 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164708854 719906534 /nfs/dbraw/zinc/90/65/34/719906534.db2.gz KLUKCNKMQCRDTR-UHFFFAOYSA-N 1 2 442.873 2.103 20 0 IEADLO Cc1nc2cc(Cl)ccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709345 719909322 /nfs/dbraw/zinc/90/93/22/719909322.db2.gz TXFYRZDCFVOZAX-UHFFFAOYSA-N 1 2 439.951 2.275 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164704148 719935817 /nfs/dbraw/zinc/93/58/17/719935817.db2.gz NSTPPIWRTWDHGN-UHFFFAOYSA-N 1 2 442.873 2.103 20 0 IEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164710751 720049854 /nfs/dbraw/zinc/04/98/54/720049854.db2.gz GMYPWLDOKNWVFC-UHFFFAOYSA-N 1 2 443.914 2.106 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164721281 720290625 /nfs/dbraw/zinc/29/06/25/720290625.db2.gz IXEMJJCPWXTVQG-LJQANCHMSA-N 1 2 443.926 2.217 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164721281 720290632 /nfs/dbraw/zinc/29/06/32/720290632.db2.gz IXEMJJCPWXTVQG-LJQANCHMSA-N 1 2 443.926 2.217 20 0 IEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164720905 720307833 /nfs/dbraw/zinc/30/78/33/720307833.db2.gz CCDAWTXDKUVPFP-LJQANCHMSA-N 1 2 428.364 2.326 20 0 IEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164720905 720307839 /nfs/dbraw/zinc/30/78/39/720307839.db2.gz CCDAWTXDKUVPFP-LJQANCHMSA-N 1 2 428.364 2.326 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(C)c1 ZINC001164824000 720365422 /nfs/dbraw/zinc/36/54/22/720365422.db2.gz GLVOGHUWUZYAIZ-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(C)c1 ZINC001164824000 720365434 /nfs/dbraw/zinc/36/54/34/720365434.db2.gz GLVOGHUWUZYAIZ-UHFFFAOYSA-N 1 2 443.573 2.255 20 0 IEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830501 720398530 /nfs/dbraw/zinc/39/85/30/720398530.db2.gz RMOIQFSIMYZTSU-UHFFFAOYSA-N 1 2 437.838 2.313 20 0 IEADLO Cc1nc2ccsc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824922 720429158 /nfs/dbraw/zinc/42/91/58/720429158.db2.gz MOYIJOWUSQDRGM-MRXNPFEDSA-N 1 2 428.562 2.186 20 0 IEADLO Cc1nc2ccsc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824921 720429550 /nfs/dbraw/zinc/42/95/50/720429550.db2.gz MOYIJOWUSQDRGM-INIZCTEOSA-N 1 2 428.562 2.186 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164827083 720430706 /nfs/dbraw/zinc/43/07/06/720430706.db2.gz QWWKIFXPRCYGPH-HNNXBMFYSA-N 1 2 441.910 2.466 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccccc31)C2 ZINC001164821900 720436509 /nfs/dbraw/zinc/43/65/09/720436509.db2.gz ALRMPQKFOATOIP-MRXNPFEDSA-N 1 2 442.951 2.469 20 0 IEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(Cl)ncc31)C2 ZINC001164822736 720444469 /nfs/dbraw/zinc/44/44/69/720444469.db2.gz HJLJRHIVNSCCFO-KRWDZBQOSA-N 1 2 442.951 2.469 20 0 IEADLO Cc1c[nH]c2nc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164822301 720444597 /nfs/dbraw/zinc/44/45/97/720444597.db2.gz CNSQCOMHZRMHJS-HNNXBMFYSA-N 1 2 445.955 2.106 20 0 IEADLO CCc1c(Cl)nnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1CC ZINC001164825218 720454052 /nfs/dbraw/zinc/45/40/52/720454052.db2.gz QPLVVSFMYHLWID-INIZCTEOSA-N 1 2 448.999 2.441 20 0 IEADLO CCOc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833055 720457162 /nfs/dbraw/zinc/45/71/62/720457162.db2.gz XOHFFXDWKVGVEU-INIZCTEOSA-N 1 2 435.956 2.320 20 0 IEADLO COc1ccc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164830266 720459511 /nfs/dbraw/zinc/45/95/11/720459511.db2.gz JZMLNYMDZGDSSM-IBGZPJMESA-N 1 2 437.544 2.430 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccs3)nn1)C2 ZINC001164830262 720460219 /nfs/dbraw/zinc/46/02/19/720460219.db2.gz JXRMYRXTYOUPGU-QGZVFWFLSA-N 1 2 440.573 2.391 20 0 IEADLO CC(C)Sc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164830728 720474999 /nfs/dbraw/zinc/47/49/99/720474999.db2.gz LNMDCRWQZDDELR-KRWDZBQOSA-N 1 2 432.594 2.163 20 0 IEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccsc3)nn1)C2 ZINC001164832858 720478671 /nfs/dbraw/zinc/47/86/71/720478671.db2.gz LPLRFEHJHJJKCJ-GOSISDBHSA-N 1 2 440.573 2.391 20 0 IEADLO CCc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)nc1C ZINC001164831476 720482332 /nfs/dbraw/zinc/48/23/32/720482332.db2.gz GKOAKDCTLGFCGB-MRXNPFEDSA-N 1 2 434.972 2.187 20 0 IEADLO CN1CCc2nc(Cl)nc(N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)c2C1 ZINC001164770624 721276415 /nfs/dbraw/zinc/27/64/15/721276415.db2.gz UZDKXSFQVFLVES-HNNXBMFYSA-N 1 2 425.924 2.425 20 0 IEADLO O=C(C[C@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892605 721480850 /nfs/dbraw/zinc/48/08/50/721480850.db2.gz ASWOGYRVHSRWBX-RLWLMLJZSA-N 1 2 447.583 2.404 20 0 IEADLO O=C(C[C@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)NCC1CC1 ZINC001164892605 721480852 /nfs/dbraw/zinc/48/08/52/721480852.db2.gz ASWOGYRVHSRWBX-RLWLMLJZSA-N 1 2 447.583 2.404 20 0 IEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001165008168 721710845 /nfs/dbraw/zinc/71/08/45/721710845.db2.gz CAIJMAJHKAFUEN-UHFFFAOYSA-N 1 2 427.887 2.221 20 0 IEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001165008168 721710846 /nfs/dbraw/zinc/71/08/46/721710846.db2.gz CAIJMAJHKAFUEN-UHFFFAOYSA-N 1 2 427.887 2.221 20 0 IEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001165014935 721765387 /nfs/dbraw/zinc/76/53/87/721765387.db2.gz JYGRNMZDBAOOAZ-UHFFFAOYSA-N 1 2 435.866 2.203 20 0 IEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001165015404 721765439 /nfs/dbraw/zinc/76/54/39/721765439.db2.gz PWNLGXGCWSXYFP-UHFFFAOYSA-N 1 2 435.866 2.203 20 0 IEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001165016929 721765499 /nfs/dbraw/zinc/76/54/99/721765499.db2.gz YUJKELNQBLWKTR-UHFFFAOYSA-N 1 2 435.866 2.203 20 0 IEADLO CCOC(=O)c1ccc(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910550 721767189 /nfs/dbraw/zinc/76/71/89/721767189.db2.gz IBEAPISMQUWWLK-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO CCOC(=O)c1ccc(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910550 721767195 /nfs/dbraw/zinc/76/71/95/721767195.db2.gz IBEAPISMQUWWLK-QHCPKHFHSA-N 1 2 426.517 2.070 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911991 721767936 /nfs/dbraw/zinc/76/79/36/721767936.db2.gz JBKCEHNGIRIWIR-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911991 721767939 /nfs/dbraw/zinc/76/79/39/721767939.db2.gz JBKCEHNGIRIWIR-OAQYLSRUSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911921 721770679 /nfs/dbraw/zinc/77/06/79/721770679.db2.gz IICRAVOBYDBHLH-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911921 721770683 /nfs/dbraw/zinc/77/06/83/721770683.db2.gz IICRAVOBYDBHLH-NRFANRHFSA-N 1 2 432.908 2.024 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CSC2 ZINC001164913313 721776954 /nfs/dbraw/zinc/77/69/54/721776954.db2.gz WDWQTTDSKPGPEA-HXUWFJFHSA-N 1 2 433.965 2.380 20 0 IEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CSC2 ZINC001164913313 721776958 /nfs/dbraw/zinc/77/69/58/721776958.db2.gz WDWQTTDSKPGPEA-HXUWFJFHSA-N 1 2 433.965 2.380 20 0 IEADLO CCOC(=O)/C=C/c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164916610 721788291 /nfs/dbraw/zinc/78/82/91/721788291.db2.gz RAUUVSARFZVXBK-YFTVHVBSSA-N 1 2 438.528 2.161 20 0 IEADLO CCOC(=O)/C=C/c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164916610 721788297 /nfs/dbraw/zinc/78/82/97/721788297.db2.gz RAUUVSARFZVXBK-YFTVHVBSSA-N 1 2 438.528 2.161 20 0 IEADLO Fc1ncccc1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917120 721789563 /nfs/dbraw/zinc/78/95/63/721789563.db2.gz WWIAHKWFACFCMV-QHCPKHFHSA-N 1 2 436.491 2.181 20 0 IEADLO Fc1ncccc1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917120 721789567 /nfs/dbraw/zinc/78/95/67/721789567.db2.gz WWIAHKWFACFCMV-QHCPKHFHSA-N 1 2 436.491 2.181 20 0 IEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914583 721790819 /nfs/dbraw/zinc/79/08/19/721790819.db2.gz FDTGZBQPKMKUGU-QQHIZMLBSA-N 1 2 438.528 2.079 20 0 IEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914583 721790824 /nfs/dbraw/zinc/79/08/24/721790824.db2.gz FDTGZBQPKMKUGU-QQHIZMLBSA-N 1 2 438.528 2.079 20 0 IEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001164919746 721820456 /nfs/dbraw/zinc/82/04/56/721820456.db2.gz VRLJSBXPXXVPMO-UHFFFAOYSA-N 1 2 444.605 2.202 20 0 IEADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1C(=O)OCC ZINC001164919952 721822287 /nfs/dbraw/zinc/82/22/87/721822287.db2.gz ZHGGXBFTULLJCV-UHFFFAOYSA-N 1 2 441.532 2.381 20 0 IEADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCN(C(N)=O)CC3)c2c1C ZINC001165042287 721941331 /nfs/dbraw/zinc/94/13/31/721941331.db2.gz MKQQLTLDTVYIBG-UHFFFAOYSA-N 1 2 446.577 2.363 20 0 IEADLO O=C(c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1)N1CCOCC1 ZINC000513193107 721959929 /nfs/dbraw/zinc/95/99/29/721959929.db2.gz YFJNOTIAEKTDRT-UHFFFAOYSA-N 1 2 430.936 2.408 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945050 721969865 /nfs/dbraw/zinc/96/98/65/721969865.db2.gz NXTUVILJJARQRZ-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945050 721969867 /nfs/dbraw/zinc/96/98/67/721969867.db2.gz NXTUVILJJARQRZ-UHFFFAOYSA-N 1 2 428.920 2.493 20 0 IEADLO CN1CCc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2C1 ZINC001164950505 721981067 /nfs/dbraw/zinc/98/10/67/721981067.db2.gz VHYYDQLNLIFHBN-UHFFFAOYSA-N 1 2 440.979 2.089 20 0 IEADLO CN1CCc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2C1 ZINC001164950505 721981070 /nfs/dbraw/zinc/98/10/70/721981070.db2.gz VHYYDQLNLIFHBN-UHFFFAOYSA-N 1 2 440.979 2.089 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981732 722137284 /nfs/dbraw/zinc/13/72/84/722137284.db2.gz QFLCKBKUNATZBT-SJORKVTESA-N 1 2 436.965 2.261 20 0 IEADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981732 722137285 /nfs/dbraw/zinc/13/72/85/722137285.db2.gz QFLCKBKUNATZBT-SJORKVTESA-N 1 2 436.965 2.261 20 0 IEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-n5cncn5)nc(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164992493 722186114 /nfs/dbraw/zinc/18/61/14/722186114.db2.gz WKUNMIWJXYWDCT-ROUUACIJSA-N 1 2 426.550 2.000 20 0 IEADLO